Pressure calculation in hybrid particle-field simulations

NASA Astrophysics Data System (ADS)

Milano, Giuseppe; Kawakatsu, Toshihiro

2010-12-01

In the framework of a recently developed scheme for a hybrid particle-field simulation techniques where self-consistent field (SCF) theory and particle models (molecular dynamics) are combined [J. Chem. Phys. 130, 214106 (2009)], we developed a general formulation for the calculation of instantaneous pressure and stress tensor. The expressions have been derived from statistical mechanical definition of the pressure starting from the expression for the free energy functional in the SCF theory. An implementation of the derived formulation suitable for hybrid particle-field molecular dynamics-self-consistent field simulations is described. A series of test simulations on model systems are reported comparing the calculated pressure with those obtained from standard molecular dynamics simulations based on pair potentials.

Wess-Zumino consistency condition for entanglement entropy.

PubMed

Banerjee, Shamik

2012-07-06

In this Letter, we consider the variation of the entanglement entropy of a region as the shape of the entangling surface is changed. We show that the variation satisfies a Wess-Zumino-like integrability condition in field theories which can be consistently coupled to gravity. In this case, the "anomaly" is localized on the entangling surface. The solution of the integrability condition should give all the nontrivial finite local terms which can appear in the variation of the entanglement entropy. The answers depend on the intrinsic and extrinsic geometry of the entangling surface, but the form does not depend on the details of the field theory. The coefficients, which multiply the purely geometric contributions, will depend on the particular details of the field theory.

Consistency relations in effective field theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Munshi, Dipak; Regan, Donough, E-mail: D.Munshi@sussex.ac.uk, E-mail: D.Regan@sussex.ac.uk

The consistency relations in large scale structure relate the lower-order correlation functions with their higher-order counterparts. They are direct outcome of the underlying symmetries of a dynamical system and can be tested using data from future surveys such as Euclid. Using techniques from standard perturbation theory (SPT), previous studies of consistency relation have concentrated on continuity-momentum (Euler)-Poisson system of an ideal fluid. We investigate the consistency relations in effective field theory (EFT) which adjusts the SPT predictions to account for the departure from the ideal fluid description on small scales. We provide detailed results for the 3D density contrast δmore » as well as the scaled divergence of velocity θ-bar . Assuming a ΛCDM background cosmology, we find the correction to SPT results becomes important at k ∼> 0.05 h/Mpc and that the suppression from EFT to SPT results that scales as square of the wave number k , can reach 40% of the total at k ≈ 0.25 h/Mpc at z = 0. We have also investigated whether effective field theory corrections to models of primordial non-Gaussianity can alter the squeezed limit behaviour, finding the results to be rather insensitive to these counterterms. In addition, we present the EFT corrections to the squeezed limit of the bispectrum in redshift space which may be of interest for tests of theories of modified gravity.« less

Understanding Knowledge Network, Learning and Connectivism

ERIC Educational Resources Information Center

AlDahdouh, Alaa A.; Osório, António J.; Caires, Susana

2015-01-01

Behaviorism, Cognitivism, Constructivism and other growing theories such as Actor-Network and Connectivism are circulating in the educational field. For each, there are allies who stand behind research evidence and consistency of observation. Meantime, those existing theories dominate the field until the background is changed or new concrete…

The Thomas-Fermi model in the theory of systems of charged particles above the surface of liquid dielectrics

NASA Astrophysics Data System (ADS)

Lytvtnenko, D. M.; Slyusarenko, Yu. V.; Kirdin, A. I.

2012-10-01

A consistent theory of equilibrium states of same sign charges above the surface of liquid dielectric film located on solid substrate in the presence of external attracting constant electric field is proposed. The approach to the development of the theory is based on the Thomas-Fermi model generalized to the systems under consideration and on the variational principle. The using of self-consistent field model allows formulating a theory containing no adjustable constants. In the framework of the variational principle we obtain the self-consistency equations for the parameters describing the system: the distribution function of charges above the liquid dielectric surface, the electrostatic field potentials in all regions of the system and the surface profile of the liquid dielectric. The self-consistency equations are used to describe the phase transition associated with the formation of spatially periodic structures in the system of charges on liquid dielectric surface. Assuming the non-degeneracy of the gas of charges above the surface of liquid dielectric film the solutions of the self-consistency equations near the critical point are obtained. In the case of the symmetric phase we obtain the expressions for the potentials and electric fields in all regions of the studied system. The distribution of the charges above the surface of liquid dielectric film for the symmetric phase is derived. The system parameters of the phase transition to nonsymmetric phase - the states with a spatially periodic ordering are obtained. We derive the expression determining the period of two-dimensional lattice as a function of physical parameters of the problem - the temperature, the external attractive electric field, the number of electrons per unit of the flat surface area of the liquid dielectric, the density of the dielectric, its surface tension and permittivity, and the permittivity of the solid substrate. The possibility of generalizing the developed theory in the case of degenerate gas of like-charged particles above the liquid dielectric surface is discussed.

The ordering of symmetric diblock copolymers: A comparison of self-consistent-field and density functional approaches

NASA Astrophysics Data System (ADS)

Nath, Shyamal K.; McCoy, John D.; Curro, John G.; Saunders, Randall S.

1997-02-01

Polymer reference interaction site model (PRISM) based density functional (DF) theory is used to evaluate the structure and thermodynamics of structurally symmetric, freely jointed, diblock chains with 0.50 volume fraction. These results are compared to the results of self-consistent-field (SCF) theory. Agreement between the predictions of the SCF and DF theories is found for the lamella spacing well above the order-disorder transition (ODT) and for the qualitative behavior of the interfacial thickness as a function of both chain length and Flory-Huggins χ parameter. Disagreement is found for the magnitude of the interfacial thickness where DF theory indicates that the thickness is 1.7±0.2 times larger than that predicted by SCF theory. It appears that behavior on the monomer length scale is sensitive to system specific details which are neglected by SCF theory.

Functional level-set derivative for a polymer self consistent field theory Hamiltonian

NASA Astrophysics Data System (ADS)

Ouaknin, Gaddiel; Laachi, Nabil; Bochkov, Daniil; Delaney, Kris; Fredrickson, Glenn H.; Gibou, Frederic

2017-09-01

We derive functional level-set derivatives for the Hamiltonian arising in self-consistent field theory, which are required to solve free boundary problems in the self-assembly of polymeric systems such as block copolymer melts. In particular, we consider Dirichlet, Neumann and Robin boundary conditions. We provide numerical examples that illustrate how these shape derivatives can be used to find equilibrium and metastable structures of block copolymer melts with a free surface in both two and three spatial dimensions.

Mysteries of R ik = 0: A novel paradigm in Einstein's theory of gravitation

NASA Astrophysics Data System (ADS)

Vishwakarma, Ram Gopal

2014-02-01

Despite a century-long effort, a proper energy-stress tensor of the gravitational field, could not have been discovered. Furthermore, it has been discovered recently that the standard formulation of the energy-stress tensor of matter, suffers from various inconsistencies and paradoxes, concluding that the tensor is not consistent with the geometric formulation of gravitation [Astrophys. Space Sci., 2009, 321: 151; Astrophys. Space Sci., 2012, 340: 373]. This perhaps hints that a consistent theory of gravitation should not have any bearing on the energy-stress tensor. It is shown here that the so-called "vacuum" field equations R ik = 0 do not represent an empty spacetime, and the energy, momenta and angular momenta of the gravitational and the matter fields are revealed through the geometry, without including any formulation thereof in the field equations. Though, this novel discovery appears baffling and orthogonal to the usual understanding, is consistent with the observations at all scales, without requiring the hypothetical dark matter, dark energy or inflation. Moreover, the resulting theory circumvents the long-standing problems of the standard cosmology, besides explaining some unexplained puzzles.

Propagation peculiarities of mean field massive gravity

DOE PAGES

Deser, S.; Waldron, A.; Zahariade, G.

2015-07-28

Massive gravity (mGR) describes a dynamical “metric” on a fiducial, background one. We investigate fluctuations of the dynamics about mGR solutions, that is about its “mean field theory”. Analyzing mean field massive gravity (m¯GR) propagation characteristics is not only equivalent to studying those of the full non-linear theory, but also in direct correspondence with earlier analyses of charged higher spin systems, the oldest example being the charged, massive spin 3/2 Rarita–Schwinger (RS) theory. The fiducial and mGR mean field background metrics in the m¯GR model correspond to the RS Minkowski metric and external EM field. The common implications in bothmore » systems are that hyperbolicity holds only in a weak background-mean-field limit, immediately ruling both theories out as fundamental theories; a situation in stark contrast with general relativity (GR) which is at least a consistent classical theory. Moreover, even though both m¯GR and RS theories can still in principle be considered as predictive effective models in the weak regime, their lower helicities then exhibit superluminal behavior: lower helicity gravitons are superluminal as compared to photons propagating on either the fiducial or background metric. Thus our approach has uncovered a novel, dispersive, “crystal-like” phenomenon of differing helicities having differing propagation speeds. As a result, this applies both to m¯GR and mGR, and is a peculiar feature that is also problematic for consistent coupling to matter.« less

A Formulation of Quantum Field Theory Realizing a Sea of Interacting Dirac Particles

NASA Astrophysics Data System (ADS)

Finster, Felix

2011-08-01

In this survey article, we explain a few ideas behind the fermionic projector approach and summarize recent results which clarify the connection to quantum field theory. The fermionic projector is introduced, which describes the physical system by a collection of Dirac states, including the states of the Dirac sea. Formulating the interaction by an action principle for the fermionic projector, we obtain a consistent description of interacting quantum fields which reproduces the results of perturbative quantum field theory. We find a new mechanism for the generation of boson masses and obtain small corrections to the field equations which violate causality.

Effective theory for the nonrigid rotor in an electromagnetic field: Toward accurate and precise calculations of E2 transitions in deformed nuclei

DOE PAGES

Coello Pérez, Eduardo A.; Papenbrock, Thomas F.

2015-07-27

In this paper, we present a model-independent approach to electric quadrupole transitions of deformed nuclei. Based on an effective theory for axially symmetric systems, the leading interactions with electromagnetic fields enter as minimal couplings to gauge potentials, while subleading corrections employ gauge-invariant nonminimal couplings. This approach yields transition operators that are consistent with the Hamiltonian, and the power counting of the effective theory provides us with theoretical uncertainty estimates. We successfully test the effective theory in homonuclear molecules that exhibit a large separation of scales. For ground-state band transitions of rotational nuclei, the effective theory describes data well within theoreticalmore » uncertainties at leading order. To probe the theory at subleading order, data with higher precision would be valuable. For transitional nuclei, next-to-leading-order calculations and the high-precision data are consistent within the theoretical uncertainty estimates. In addition, we study the faint interband transitions within the effective theory and focus on the E2 transitions from the 0 2 + band (the “β band”) to the ground-state band. Here the predictions from the effective theory are consistent with data for several nuclei, thereby proposing a solution to a long-standing challenge.« less

Consistent compactification of double field theory on non-geometric flux backgrounds

NASA Astrophysics Data System (ADS)

Hassler, Falk; Lüst, Dieter

2014-05-01

In this paper, we construct non-trivial solutions to the 2 D-dimensional field equations of Double Field Theory (DFT) by using a consistent Scherk-Schwarz ansatz. The ansatz identifies 2( D - d) internal directions with a twist U M N which is directly connected to the covariant fluxes ABC . It exhibits 2( D - d) linear independent generalized Killing vectors K I J and gives rise to a gauged supergravity in d dimensions. We analyze the covariant fluxes and the corresponding gauged supergravity with a Minkowski vacuum. We calculate fluctuations around such vacua and show how they gives rise to massive scalars field and vectors field with a non-abelian gauge algebra. Because DFT is a background independent theory, these fields should directly correspond the string excitations in the corresponding background. For ( D - d) = 3 we perform a complete scan of all allowed covariant fluxes and find two different kinds of backgrounds: the single and the double elliptic case. The later is not T-dual to a geometric background and cannot be transformed to a geometric setting by a field redefinition either. While this background fulfills the strong constraint, it is still consistent with the Killing vectors depending on the coordinates and the winding coordinates, thereby giving a non-geometric patching. This background can therefore not be described in Supergravity or Generalized Geometry.

The refined Swampland Distance Conjecture in Calabi-Yau moduli spaces

NASA Astrophysics Data System (ADS)

Blumenhagen, Ralph; Klaewer, Daniel; Schlechter, Lorenz; Wolf, Florian

2018-06-01

The Swampland Distance Conjecture claims that effective theories derived from a consistent theory of quantum gravity only have a finite range of validity. This will imply drastic consequences for string theory model building. The refined version of this conjecture says that this range is of the order of the naturally built in scale, namely the Planck scale. It is investigated whether the Refined Swampland Distance Conjecture is consistent with proper field distances arising in the well understood moduli spaces of Calabi-Yau compactification. Investigating in particular the non-geometric phases of Kähler moduli spaces of dimension h 11 ∈ {1 , 2 , 101}, we always find proper field distances that are smaller than the Planck-length.

Thermodynamically self-consistent theory for the Blume-Capel model.

PubMed

Grollau, S; Kierlik, E; Rosinberg, M L; Tarjus, G

2001-04-01

We use a self-consistent Ornstein-Zernike approximation to study the Blume-Capel ferromagnet on three-dimensional lattices. The correlation functions and the thermodynamics are obtained from the solution of two coupled partial differential equations. The theory provides a comprehensive and accurate description of the phase diagram in all regions, including the wing boundaries in a nonzero magnetic field. In particular, the coordinates of the tricritical point are in very good agreement with the best estimates from simulation or series expansion. Numerical and analytical analysis strongly suggest that the theory predicts a universal Ising-like critical behavior along the lambda line and the wing critical lines, and a tricritical behavior governed by mean-field exponents.

Canonical field anticommutators in the extended gauged Rarita-Schwinger theory

NASA Astrophysics Data System (ADS)

Adler, Stephen L.; Henneaux, Marc; Pais, Pablo

2017-10-01

We reexamine canonical quantization of the gauged Rarita-Schwinger theory using the extended theory, incorporating a dimension 1/2 auxiliary spin-1/2 field Λ , in which there is an exact off-shell gauge invariance. In Λ =0 gauge, which reduces to the original unextended theory, our results agree with those found by Johnson and Sudarshan, and later verified by Velo and Zwanziger, which give a canonical Rarita-Schwinger field Dirac bracket that is singular for small gauge fields. In gauge covariant radiation gauge, the Dirac bracket of the Rarita-Schwinger fields is nonsingular, but does not correspond to a positive semidefinite anticommutator, and the Dirac bracket of the auxiliary fields has a singularity of the same form as found in the unextended theory. These results indicate that gauged Rarita-Schwinger theory is somewhat pathological, and cannot be canonically quantized within a conventional positive semidefinite metric Hilbert space. We leave open the questions of whether consistent quantizations can be achieved by using an indefinite metric Hilbert space, by path integral methods, or by appropriate couplings to conventional dimension 3/2 spin-1/2 fields.

Level/rank duality and Chern-Simons-matter theories

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hsin, Po-Shen; Seiberg, Nathan

We discuss in detail level/rank duality in three-dimensional Chern-Simons theories and various related dualities in three-dimensional Chern-Simons-matter theories. We couple the dual Lagrangians to appropriate background fields (including gauge fields, spin c connections and the metric). The non-trivial maps between the currents and the line operators in the dual theories is accounted for by mixing of these fields. In order for the duality to be valid we must add finite counterterms depending on these background fields. This analysis allows us to resolve a number of puzzles with these dualities, to provide derivations of some of them, and to find newmore » consistency conditions and relations between them. In addition, we find new level/rank dualities of topological Chern-Simons theories and new dualities of Chern-Simons-matter theories, including new boson/boson and fermion/fermion dualities.« less

Level/rank duality and Chern-Simons-matter theories

DOE PAGES

Hsin, Po-Shen; Seiberg, Nathan

2016-09-16

We discuss in detail level/rank duality in three-dimensional Chern-Simons theories and various related dualities in three-dimensional Chern-Simons-matter theories. We couple the dual Lagrangians to appropriate background fields (including gauge fields, spin c connections and the metric). The non-trivial maps between the currents and the line operators in the dual theories is accounted for by mixing of these fields. In order for the duality to be valid we must add finite counterterms depending on these background fields. This analysis allows us to resolve a number of puzzles with these dualities, to provide derivations of some of them, and to find newmore » consistency conditions and relations between them. In addition, we find new level/rank dualities of topological Chern-Simons theories and new dualities of Chern-Simons-matter theories, including new boson/boson and fermion/fermion dualities.« less

Consistent multiphase-field theory for interface driven multidomain dynamics

NASA Astrophysics Data System (ADS)

Tóth, Gyula I.; Pusztai, Tamás; Gránásy, László

2015-11-01

We present a multiphase-field theory for describing pattern formation in multidomain and/or multicomponent systems. The construction of the free energy functional and the dynamic equations is based on criteria that ensure mathematical and physical consistency. We first analyze previous multiphase-field theories and identify their advantageous and disadvantageous features. On the basis of this analysis, we introduce a way of constructing the free energy surface and derive a generalized multiphase description for arbitrary number of phases (or domains). The presented approach retains the variational formalism, reduces (or extends) naturally to lower (or higher) number of fields on the level of both the free energy functional and the dynamic equations, enables the use of arbitrary pairwise equilibrium interfacial properties, penalizes multiple junctions increasingly with the number of phases, ensures non-negative entropy production and the convergence of the dynamic solutions to the equilibrium solutions, and avoids the appearance of spurious phases on binary interfaces. The approach is tested for multicomponent phase separation and grain coarsening.

Quantitative verification of ab initio self-consistent laser theory.

PubMed

Ge, Li; Tandy, Robert J; Stone, A D; Türeci, Hakan E

2008-10-13

We generalize and test the recent "ab initio" self-consistent (AISC) time-independent semiclassical laser theory. This self-consistent formalism generates all the stationary lasing properties in the multimode regime (frequencies, thresholds, internal and external fields, output power and emission pattern) from simple inputs: the dielectric function of the passive cavity, the atomic transition frequency, and the transverse relaxation time of the lasing transition.We find that the theory gives excellent quantitative agreement with full time-dependent simulations of the Maxwell-Bloch equations after it has been generalized to drop the slowly-varying envelope approximation. The theory is infinite order in the non-linear hole-burning interaction; the widely used third order approximation is shown to fail badly.

Field theories and fluids for an interacting dark sector

NASA Astrophysics Data System (ADS)

Carrillo González, Mariana; Trodden, Mark

2018-02-01

We consider the relationship between fluid models of an interacting dark sector and the field theoretical models that underlie such descriptions. This question is particularly important in light of suggestions that such interactions may help alleviate a number of current tensions between different cosmological datasets. We construct consistent field theory models for an interacting dark sector that behave exactly like the coupled fluid ones, even at the level of linear perturbations, and can be trusted deep in the nonlinear regime. As a specific example, we focus on the case of a Dirac, Born-Infeld (DBI) field conformally coupled to a quintessence field. We show that the fluid linear regime breaks before the field gradients become large; this means that the field theory is valid inside a large region of the fluid nonlinear regime.

Pressure and Chemical Potential: Effects Hydrophilic Soils Have on Adsorption and Transport

NASA Astrophysics Data System (ADS)

Bennethum, L. S.; Weinstein, T.

2003-12-01

Using the assumption that thermodynamic properties of fluid is affected by its proximity to the solid phase, a theoretical model has been developed based on upscaling and fundamental thermodynamic principles (termed Hybrid Mixture Theory). The theory indicates that Darcy's law and the Darcy-scale chemical potential (which determines the rate of adsorption and diffusion) need to be modified in order to apply to soils containing hydrophilic soils. In this talk we examine the Darcy-scale definition of pressure and chemical potential, especially as it applies to hydrophilic soils. To arrive at our model, we used hybrid mixture theory - first pioneered by Hassanizadeh and Gray in 1979. The technique involves averaging the field equations (i.e. conservation of mass, momentum balance, energy balance, etc.) to obtain macroscopic field equations, where each field variable is defined precisely in terms of its microscale counterpart. To close the system consistently with classical thermodynamics, the entropy inequality is exploited in the sense of Coleman and Noll. With the exceptions that the macroscale field variables are defined precisely in terms of their microscale counterparts and that microscopic interfacial equations can also be treated in a similar manner, the resulting system of equations is consistent with those derived using classical mixture theory. Hence the terminology, Hybrid Mixture Theory.

Vibrational multiconfiguration self-consistent field theory: implementation and test calculations.

PubMed

Heislbetz, Sandra; Rauhut, Guntram

2010-03-28

A state-specific vibrational multiconfiguration self-consistent field (VMCSCF) approach based on a multimode expansion of the potential energy surface is presented for the accurate calculation of anharmonic vibrational spectra. As a special case of this general approach vibrational complete active space self-consistent field calculations will be discussed. The latter method shows better convergence than the general VMCSCF approach and must be considered the preferred choice within the multiconfigurational framework. Benchmark calculations are provided for a small set of test molecules.

Interactions between Nanoparticles and Polymer Brushes: Molecular Dynamics Simulations and Self-consistent Field Theory Calculations

NASA Astrophysics Data System (ADS)

Cheng, Shengfeng; Wen, Chengyuan; Egorov, Sergei

2015-03-01

Molecular dynamics simulations and self-consistent field theory calculations are employed to study the interactions between a nanoparticle and a polymer brush at various densities of chains grafted to a plane. Simulations with both implicit and explicit solvent are performed. In either case the nanoparticle is loaded to the brush at a constant velocity. Then a series of simulations are performed to compute the force exerted on the nanoparticle that is fixed at various distances from the grafting plane. The potential of mean force is calculated and compared to the prediction based on a self-consistent field theory. Our simulations show that the explicit solvent leads to effects that are not captured in simulations with implicit solvent, indicating the importance of including explicit solvent in molecular simulations of such systems. Our results also demonstrate an interesting correlation between the force on the nanoparticle and the density profile of the brush. We gratefully acknowledge the support of NVIDIA Corporation with the donation of the Tesla K40 GPU used for this research.

Two-dimensional collective electron magnetotransport, oscillations, and chaos in a semiconductor superlattice

NASA Astrophysics Data System (ADS)

Bonilla, L. L.; Carretero, M.; Segura, A.

2017-12-01

When quantized, traces of classically chaotic single-particle systems include eigenvalue statistics and scars in eigenfuntions. Since 2001, many theoretical and experimental works have argued that classically chaotic single-electron dynamics influences and controls collective electron transport. For transport in semiconductor superlattices under tilted magnetic and electric fields, these theories rely on a reduction to a one-dimensional self-consistent drift model. A two-dimensional theory based on self-consistent Boltzmann transport does not support that single-electron chaos influences collective transport. This theory agrees with existing experimental evidence of current self-oscillations, predicts spontaneous collective chaos via a period doubling scenario, and could be tested unambiguously by measuring the electric potential inside the superlattice under a tilted magnetic field.

Two-dimensional collective electron magnetotransport, oscillations, and chaos in a semiconductor superlattice.

PubMed

Bonilla, L L; Carretero, M; Segura, A

2017-12-01

When quantized, traces of classically chaotic single-particle systems include eigenvalue statistics and scars in eigenfuntions. Since 2001, many theoretical and experimental works have argued that classically chaotic single-electron dynamics influences and controls collective electron transport. For transport in semiconductor superlattices under tilted magnetic and electric fields, these theories rely on a reduction to a one-dimensional self-consistent drift model. A two-dimensional theory based on self-consistent Boltzmann transport does not support that single-electron chaos influences collective transport. This theory agrees with existing experimental evidence of current self-oscillations, predicts spontaneous collective chaos via a period doubling scenario, and could be tested unambiguously by measuring the electric potential inside the superlattice under a tilted magnetic field.

An Investigation of Conformal Field Theory: Understanding the Conformal and Weyl Symmetries and Constraining Theories with Energy Conditions

NASA Astrophysics Data System (ADS)

Prilepina, Valentina V.

This thesis represents an investigation of topics in conformal field theory (CFT). Here we discuss three new contributions to this area. The first one relates to the famous problem of scale versus conformal invariance in d = 4. We give an argument that rules out a serious loophole present in relevant arguments for the conjecture that scale implies conformal invariance in 4D local unitary quantum field theories, namely that the trace of the energy-momentum tensor T could potentially be a generalized free field. Our argument hinges on the observation that any 4D unitary theory endowed with scale but not conformal invariance necessarily has a non-vanishing anomaly for global scale transformations. We show that this anomaly cannot be reproduced if T is a generalized free field unless a dimension-2 scalar operator is present in the theory. In the case that the theory does contain such an operator, we demonstrate that it can be exploited to redefine or "improve" Tmunu such that there is always at least one possible improvement of T which is not a generalized free field. This argument thus essentially excludes this option in a 4D unitary scale but not conformally invariant theory. Our next contribution relates to using energy positivity conditions to place constraints on conformal field theories. We propose a new special kind of weak energy condition with spacetime averaging over a finite region of length scale L to suppress quantum fluctuations. Our Spacetime Averaged Weak Energy Condition (SAWEC) is a novel completely local inequality closely related to the positivity of total energy. It is a proposed bound on the energy density of the form T00 ≥ -C/L4, where L is the size of the smearing region, and C is a positive theory-dependent constant. We motivate this condition as a fundamental consistency requirement for any 4D quantum field theory. We argue that violation of this statement would have serious undesirable consequences for a theory. In particular, the theory would contain states indistinguishable from states of negative total energy by any local measurement, which would lead to unphysical instabilities. We apply the condition to 4D and 3D CFTs and derive bounds on the OPE coefficients of these theories. Interestingly, these conditions imply the positivity of the 2-point function of the energy-momentum tensor. Our 4D bounds are weaker than the "conformal collider" constraints of Hofman and Maldacena, which were rigorously established fairly recently. All calculations were carried out in momentum space using Wightman correlation functions. These methods may also be interesting on their own. The third contribution relates to the problem of the enhancement of conformal invariance in flat spacetime to Weyl invariance in curved spacetime. We restrict attention to all unitary quantum field theories and put forward a compelling argument for the statement that for all spacetime dimensions d ≤ 10, conformal invariance in flat spacetime implies Weyl invariance in a general curved background metric. In addition, we examine possible curvature corrections to the Weyl transformation laws of operators and show that these corrections are in fact absent for sufficiently low operator dimension and spin. In particular, we demonstrate this for an important class of operators, namely relevant scalar operators in d ≤ 6, and find that the Weyl transformations of these operators are the standard ones. Moreover, we find a class of consistent 'anomalous' curvature corrections proportional to the Weyl (Cotton) tensor in d > 3 (d = 3) spacetime dimensions. The arguments rely on algebraic consistency conditions reminiscent of the famous Wess-Zumino consistency conditions employed for the classification of Weyl anomalies. We anticipate that they can be extended to higher spacetime dimensions and for more general operators at the price of higher algebraic complexity.

Kinks in higher derivative scalar field theory

NASA Astrophysics Data System (ADS)

Zhong, Yuan; Guo, Rong-Zhen; Fu, Chun-E.; Liu, Yu-Xiao

2018-07-01

We study static kink configurations in a type of two-dimensional higher derivative scalar field theory whose Lagrangian contains second-order derivative terms of the field. The linear fluctuation around arbitrary static kink solutions is analyzed. We find that, the linear spectrum can be described by a supersymmetric quantum mechanics problem, and the criteria for stable static solutions can be given analytically. We also construct a superpotential formalism for finding analytical static kink solutions. Using this formalism we first reproduce some existed solutions and then offer a new solution. The properties of our solution is studied and compared with those preexisted. We also show the possibility in constructing twinlike model in the higher derivative theory, and give the consistency conditions for twinlike models corresponding to the canonical scalar field theory.

Examination of Attitudes towards Teaching Online Courses Based on Theory of Reasoned Action of University Faculty in Taiwan

ERIC Educational Resources Information Center

Chen, Tzy-Ling; Chen, Tzu-Jung

2006-01-01

This study examined attitudes of university faculty specialising in the field of human resource (HR) in Taiwan towards participation in the teaching of online courses using the theory of reasoned action (TRA). The population targeted for investigation consisted of the full-time university faculty in the HR field in Taiwan regardless of their…

Self-consistent-field perturbation theory for the Schröautdinger equation

NASA Astrophysics Data System (ADS)

Goodson, David Z.

1997-06-01

A method is developed for using large-order perturbation theory to solve the systems of coupled differential equations that result from the variational solution of the Schröautdinger equation with wave functions of product form. This is a noniterative, computationally efficient way to solve self-consistent-field (SCF) equations. Possible applications include electronic structure calculations using products of functions of collective coordinates that include electron correlation, vibrational SCF calculations for coupled anharmonic oscillators with selective coupling of normal modes, and ab initio calculations of molecular vibration spectra without the Born-Oppenheimer approximation.

Theoretical studies of electronically excited states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Besley, Nicholas A.

2014-10-06

Time-dependent density functional theory is the most widely used quantum chemical method for studying molecules in electronically excited states. However, excited states can also be computed within Kohn-Sham density functional theory by exploiting methods that converge the self-consistent field equations to give excited state solutions. The usefulness of single reference self-consistent field based approaches for studying excited states is demonstrated by considering the calculation of several types of spectroscopy including the infrared spectroscopy of molecules in an electronically excited state, the rovibrational spectrum of the NO-Ar complex, core electron binding energies and the emission spectroscopy of BODIPY in water.

What is a photon?

NASA Astrophysics Data System (ADS)

Kracklauer, A. F.

2015-09-01

The linguistic and epistemological constraints on finding and expressing an answer to the title question are reviewed. First, it is recalled that "fields" are defined in terms of their effect on "test charges" and not in terms of any, even idealistically considered, primary, native innate qualities of their own. Thus, before fields can be discussed, the theorist has to have already available a defined "test particle" and field source. Clearly, neither the test nor the engendering particles can be defined as elements of the considered field without redefining the term "field." Further, the development of a theory as a logical structure (i.e., an internally self consistent conceptual complex) entails that the subject(s) of the theory (the primitive elements) and the rules governing their interrelationships (axioms) cannot be deduced by any logical procedure. They are always hypothesized on the basis of intuition supported by empirical experience. Given hypothesized primitive elements and axioms it is possible, in principle, to test for the 'completion' of the axiom set (i.e., any addition introduces redundancy) and for self consistency. Thus, theory building is limited to establishing the self consistency of a theory's mathematical expression and comparing that with the external, ontic world. Finally, a classical model with an event-by-event simulation of an EPR-B experiment to test a Bell Inequality is described. This model leads to a violation of Bell's limit without any quantum input (no nonlocal interaction nor entanglement), thus substantiating previous critical analysis of the derivation of Bell inequalities. On the basis of this result, it can be concluded that the electromagnetic interaction possesses no preternatural aspects, and that the usual models in terms of waves, fields and photons are all just imaginary constructs with questionable relation to a presumed reality.

Coherent states field theory in supramolecular polymer physics

NASA Astrophysics Data System (ADS)

Fredrickson, Glenn H.; Delaney, Kris T.

2018-05-01

In 1970, Edwards and Freed presented an elegant representation of interacting branched polymers that resembles the coherent states (CS) formulation of second-quantized field theory. This CS polymer field theory has been largely overlooked during the intervening period in favor of more conventional "auxiliary field" (AF) interacting polymer representations that form the basis of modern self-consistent field theory (SCFT) and field-theoretic simulation approaches. Here we argue that the CS representation provides a simpler and computationally more efficient framework than the AF approach for broad classes of reversibly bonding polymers encountered in supramolecular polymer science. The CS formalism is reviewed, initially for a simple homopolymer solution, and then extended to supramolecular polymers capable of forming reversible linkages and networks. In the context of the Edwards model of a non-reacting homopolymer solution and one and two-component models of telechelic reacting polymers, we discuss the structure of CS mean-field theory, including the equivalence to SCFT, and show how weak-amplitude expansions (random phase approximations) can be readily developed without explicit enumeration of all reaction products in a mixture. We further illustrate how to analyze CS field theories beyond SCFT at the level of Gaussian field fluctuations and provide a perspective on direct numerical simulations using a recently developed complex Langevin technique.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trewartha, Daniel; Kamleh, Waseem; Leinweber, Derek B.

The influence of centre vortices on dynamical chiral symmetry breaking is investigated through the light hadron spectrum on the lattice. Recent studies of the quark propagator and other quantities have provided evidence that centre vortices are the fundamental objects underpinning dynamical chiral symmetry breaking in SU(3) gauge theory. For the first time, we use the chiral overlap fermion action to study the low-lying hadron spectrum on lattice ensembles consisting of Monte Carlo, vortex-removed, and vortex-projected gauge fields. We find that gauge field configurations consisting solely of smoothed centre vortices are capable of reproducing all the salient features of the hadronmore » spectrum, including dynamical chiral symmetry breaking. In conclusion, the hadron spectrum on vortex-removed fields shows clear signals of chiral symmetry restoration at light values of the bare quark mass, while at heavy masses the spectrum is consistent with a theory of weakly-interacting constituent quarks.« less

Self-Consistent Field Lattice Model for Polymer Networks.

PubMed

Tito, Nicholas B; Storm, Cornelis; Ellenbroek, Wouter G

2017-12-26

A lattice model based on polymer self-consistent field theory is developed to predict the equilibrium statistics of arbitrary polymer networks. For a given network topology, our approach uses moment propagators on a lattice to self-consistently construct the ensemble of polymer conformations and cross-link spatial probability distributions. Remarkably, the calculation can be performed "in the dark", without any prior knowledge on preferred chain conformations or cross-link positions. Numerical results from the model for a test network exhibit close agreement with molecular dynamics simulations, including when the network is strongly sheared. Our model captures nonaffine deformation, mean-field monomer interactions, cross-link fluctuations, and finite extensibility of chains, yielding predictions that differ markedly from classical rubber elasticity theory for polymer networks. By examining polymer networks with different degrees of interconnectivity, we gain insight into cross-link entropy, an important quantity in the macroscopic behavior of gels and self-healing materials as they are deformed.

Centre vortex removal restores chiral symmetry

NASA Astrophysics Data System (ADS)

Trewartha, Daniel; Kamleh, Waseem; Leinweber, Derek B.

2017-12-01

The influence of centre vortices on dynamical chiral symmetry breaking is investigated through the light hadron spectrum on the lattice. Recent studies of the quark propagator and other quantities have provided evidence that centre vortices are the fundamental objects underpinning dynamical chiral symmetry breaking in {SU}(3) gauge theory. For the first time, we use the chiral overlap fermion action to study the low-lying hadron spectrum on lattice ensembles consisting of Monte Carlo, vortex-removed, and vortex-projected gauge fields. We find that gauge field configurations consisting solely of smoothed centre vortices are capable of reproducing all the salient features of the hadron spectrum, including dynamical chiral symmetry breaking. The hadron spectrum on vortex-removed fields shows clear signals of chiral symmetry restoration at light values of the bare quark mass, while at heavy masses the spectrum is consistent with a theory of weakly interacting constituent quarks.

Centre vortex removal restores chiral symmetry

DOE PAGES

Trewartha, Daniel; Kamleh, Waseem; Leinweber, Derek B.

2017-11-15

The influence of centre vortices on dynamical chiral symmetry breaking is investigated through the light hadron spectrum on the lattice. Recent studies of the quark propagator and other quantities have provided evidence that centre vortices are the fundamental objects underpinning dynamical chiral symmetry breaking in SU(3) gauge theory. For the first time, we use the chiral overlap fermion action to study the low-lying hadron spectrum on lattice ensembles consisting of Monte Carlo, vortex-removed, and vortex-projected gauge fields. We find that gauge field configurations consisting solely of smoothed centre vortices are capable of reproducing all the salient features of the hadronmore » spectrum, including dynamical chiral symmetry breaking. In conclusion, the hadron spectrum on vortex-removed fields shows clear signals of chiral symmetry restoration at light values of the bare quark mass, while at heavy masses the spectrum is consistent with a theory of weakly-interacting constituent quarks.« less

Microscopic theory of vortex interaction in two-band superconductors and type-1.5 superconductivity

NASA Astrophysics Data System (ADS)

Silaev, Mihail; Babaev, Egor

2011-03-01

In the framework of self-consistent microscopic theory we study the structure and interaction of vortices in two-gap superconductor taking into account the interband Josephson coupling. The asymptotical behavior of order parameter densities and magnetic field is studied analytically within the microscopic theory at low temperature. At higher temperatures, results consistent with Ginzburg-Landau theory are obtained. It is shown that under quite general conditions and in a wide temperature ranges (in particular outside the validity of the Ginzburg-Landau theory) there can exist an additional characteristic length scale of the order parameter density variation which exceeds the London penetration length of magnetic field due to the multi-component nature of superconducting state. Such behavior of order parameter density variation leads to the attractive long-range and repulsive short-range interaction between vortices. Supported by NSF CAREER Award DMR-0955902, Knut and Alice Wallenberg Foundation through the Royal Swedish Academy of Sciences and Swedish Research Council, ''Dynasty'' foundation and Russian Foundation for Basic Research.

IIB supergravity and the E 6(6) covariant vector-tensor hierarchy

DOE PAGES

Ciceri, Franz; de Wit, Bernard; Varela, Oscar

2015-04-20

IIB supergravity is reformulated with a manifest local USp(8) invariance that makes the embedding of five-dimensional maximal supergravities transparent. In this formulation the ten-dimensional theory exhibits all the 27 one-form fields and 22 of the 27 two-form fields that are required by the vector-tensor hierarchy of the five-dimensional theory. The missing 5 two-form fields must transform in the same representation as a descendant of the ten-dimensional ‘dual graviton’. The invariant E 6(6) symmetric tensor that appears in the vector-tensor hierarchy is reproduced. Generalized vielbeine are derived from the supersymmetry transformations of the vector fields, as well as consistent expressions formore » the USp(8) covariant fermion fields. Implications are further discussed for the consistency of the truncation of IIB supergravity compactified on the five-sphere to maximal gauged supergravity in five space-time dimensions with an SO(6) gauge group.« less

On holographic Rényi entropy in some modified theories of gravity

NASA Astrophysics Data System (ADS)

Dey, Anshuman; Roy, Pratim; Sarkar, Tapobrata

2018-04-01

We perform a detailed analysis of holographic entanglement Rényi entropy in some modified theories of gravity with four dimensional conformal field theory duals. First, we construct perturbative black hole solutions in a recently proposed model of Einsteinian cubic gravity in five dimensions, and compute the Rényi entropy as well as the scaling dimension of the twist operators in the dual field theory. Consistency of these results are verified from the AdS/CFT correspondence, via a corresponding computation of the Weyl anomaly on the gravity side. Similar analyses are then carried out for three other examples of modified gravity in five dimensions that include a chemical potential, namely Born-Infeld gravity, charged quasi-topological gravity and a class of Weyl corrected gravity theories with a gauge field, with the last example being treated perturbatively. Some interesting bounds in the dual conformal field theory parameters in quasi-topological gravity are pointed out. We also provide arguments on the validity of our perturbative analysis, whenever applicable.

Part 1: Classical laser. Part 2: The effect of velocity changing collisions on the output of a gas laser. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Borenstein, M.

1972-01-01

A classical model for laser action is discussed, in which an active medium consisting of anharmonic oscillators interacts with an electromagnetic field in a resonant cavity. Comparison with the case of a medium consisting of harmonic oscillators shows the significance of nonlinearities for producing self-sustained oscillations in the radiation field. A theoretical model is presented for the pressure dependence of the intensity of a gas laser, in which only velocity-changing collisions with foreign gas atoms are included. A collision model for hard sphere, repulsive interactions was derived. Collision theory was applied to a third-order expansion of the polarization in powers of the cavity electric field (weak signal theory).

The Effects of Cognitive Styles on Naïve Impetus Theory Application Degrees of Pre-Service Science Teachers

ERIC Educational Resources Information Center

Cataloglu, Erdat; Ates, Salih

2014-01-01

The purpose of this study was to determine whether there is a relationship between pre-service science teachers' Field Dependent or Field Independent (FD/FI) cognitive styles and the application of degrees of naive impetus theory. The sample consisted of 122 pre-service science teachers (97 females and 25 males) who were enrolled in the…

The Landau-de Gennes approach revisited: A minimal self-consistent microscopic theory for spatially inhomogeneous nematic liquid crystals

NASA Astrophysics Data System (ADS)

Gârlea, Ioana C.; Mulder, Bela M.

2017-12-01

We design a novel microscopic mean-field theory of inhomogeneous nematic liquid crystals formulated entirely in terms of the tensor order parameter field. It combines the virtues of the Landau-de Gennes approach in allowing both the direction and magnitude of the local order to vary, with a self-consistent treatment of the local free-energy valid beyond the small order parameter limit. As a proof of principle, we apply this theory to the well-studied problem of a colloid dispersed in a nematic liquid crystal by including a tunable wall coupling term. For the two-dimensional case, we investigate the organization of the liquid crystal and the position of the point defects as a function of the strength of the coupling constant.

Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: theory and application to the study of chromium dimer.

PubMed

Kurashige, Yuki; Yanai, Takeshi

2011-09-07

We present a second-order perturbation theory based on a density matrix renormalization group self-consistent field (DMRG-SCF) reference function. The method reproduces the solution of the complete active space with second-order perturbation theory (CASPT2) when the DMRG reference function is represented by a sufficiently large number of renormalized many-body basis, thereby being named DMRG-CASPT2 method. The DMRG-SCF is able to describe non-dynamical correlation with large active space that is insurmountable to the conventional CASSCF method, while the second-order perturbation theory provides an efficient description of dynamical correlation effects. The capability of our implementation is demonstrated for an application to the potential energy curve of the chromium dimer, which is one of the most demanding multireference systems that require best electronic structure treatment for non-dynamical and dynamical correlation as well as large basis sets. The DMRG-CASPT2/cc-pwCV5Z calculations were performed with a large (3d double-shell) active space consisting of 28 orbitals. Our approach using large-size DMRG reference addressed the problems of why the dissociation energy is largely overestimated by CASPT2 with the small active space consisting of 12 orbitals (3d4s), and also is oversensitive to the choice of the zeroth-order Hamiltonian. © 2011 American Institute of Physics

Democratic superstring field theory: gauge fixing

NASA Astrophysics Data System (ADS)

Kroyter, Michael

2011-03-01

We show that a partial gauge fixing of the NS sector of the democratic-picture superstring field theory leads to the non-polynomial theory. Moreover, by partially gauge fixing the Ramond sector we obtain a non-polynomial fully RNS theory at pictures 0 and 1/2 . Within the democratic theory and in the partially gauge fixed theory the equations of motion of both sectors are derived from an action. We also discuss a representation of the non-polynomial theory analogous to a manifestly two-dimensional representation of WZW theory and the action of bosonic pure-gauge solutions. We further demonstrate that one can consistently gauge fix the NS sector of the democratic theory at picture number -1. The resulting theory is new. It is a {mathbb{Z}_2} dual of the modified cubic theory. We construct analytical solutions of this theory and show that they possess the desired properties.

Thermodynamic Model Formulations for Inhomogeneous Solids with Application to Non-isothermal Phase Field Modelling

NASA Astrophysics Data System (ADS)

Gladkov, Svyatoslav; Kochmann, Julian; Reese, Stefanie; Hütter, Markus; Svendsen, Bob

2016-04-01

The purpose of the current work is the comparison of thermodynamic model formulations for chemically and structurally inhomogeneous solids at finite deformation based on "standard" non-equilibrium thermodynamics [SNET: e. g. S. de Groot and P. Mazur, Non-equilibrium Thermodynamics, North Holland, 1962] and the general equation for non-equilibrium reversible-irreversible coupling (GENERIC) [H. C. Öttinger, Beyond Equilibrium Thermodynamics, Wiley Interscience, 2005]. In the process, non-isothermal generalizations of standard isothermal conservative [e. g. J. W. Cahn and J. E. Hilliard, Free energy of a non-uniform system. I. Interfacial energy. J. Chem. Phys. 28 (1958), 258-267] and non-conservative [e. g. S. M. Allen and J. W. Cahn, A macroscopic theory for antiphase boundary motion and its application to antiphase domain coarsening. Acta Metall. 27 (1979), 1085-1095; A. G. Khachaturyan, Theory of Structural Transformations in Solids, Wiley, New York, 1983] diffuse interface or "phase-field" models [e. g. P. C. Hohenberg and B. I. Halperin, Theory of dynamic critical phenomena, Rev. Modern Phys. 49 (1977), 435-479; N. Provatas and K. Elder, Phase Field Methods in Material Science and Engineering, Wiley-VCH, 2010.] for solids are obtained. The current treatment is consistent with, and includes, previous works [e. g. O. Penrose and P. C. Fife, Thermodynamically consistent models of phase-field type for the kinetics of phase transitions, Phys. D 43 (1990), 44-62; O. Penrose and P. C. Fife, On the relation between the standard phase-field model and a "thermodynamically consistent" phase-field model. Phys. D 69 (1993), 107-113] on non-isothermal systems as a special case. In the context of no-flux boundary conditions, the SNET- and GENERIC-based approaches are shown to be completely consistent with each other and result in equivalent temperature evolution relations.

Neutron star mass-radius relation with gravitational field shielding by a scalar field

NASA Astrophysics Data System (ADS)

Zhang, Bo-Jun; Zhang, Tian-Xi; Guggilla, Padmaja; Dokhanian, Mostafa

2013-05-01

The currently well-developed models for equations of state (EoSs) have been severely impacted by recent measurements of neutron stars with a small radius and/or large mass. To explain these measurements, the theory of gravitational field shielding by a scalar field is applied. This theory was recently developed in accordance with the five-dimensional (5D) fully covariant Kaluza-Klein (KK) theory that has successfully unified Einstein's general relativity and Maxwell's electromagnetic theory. It is shown that a massive, compact neutron star can generate a strong scalar field, which can significantly shield or reduce its gravitational field, thus making it more massive and more compact. The mass-radius relation developed under this type of modified gravity can be consistent with these recent measurements of neutron stars. In addition, the effect of gravitational field shielding helps explain why the supernova explosions of some very massive stars (e.g., 40 Msolar as measured recently) actually formed neutron stars rather than black holes as expected. The EoS models, ruled out by measurements of small radius and/or large mass neutron stars according to the theory of general relativity, can still work well in terms of the 5D fully covariant KK theory with a scalar field.

Quantum Field Theories Coupled to Supergravity: AdS/CFT and Local Couplings

NASA Astrophysics Data System (ADS)

Große, Johannes

2007-11-01

This article is based on my PhD thesis and covers the following topics: Holographic meson spectra in a dilaton flow background, the mixed Coulomb-Higgs branch in terms of instantons on D7 branes, and a dual description of heavy-light mesons. Moreover, in a second part the conformal anomaly of four dimensional supersymmetric quantum field theories coupled to classical N=1 supergravity is explored in a superfield formulation. The complete basis for the anomaly and consistency conditions, which arise from cohomological considerations, are given. Possible implications for an extension of Zamolodchikov's c-theorem to four dimensional supersymmetric quantum field theories are discussed.

Functional renormalization group analysis of tensorial group field theories on Rd

NASA Astrophysics Data System (ADS)

Geloun, Joseph Ben; Martini, Riccardo; Oriti, Daniele

2016-07-01

Rank-d tensorial group field theories are quantum field theories (QFTs) defined on a group manifold G×d , which represent a nonlocal generalization of standard QFT and a candidate formalism for quantum gravity, since, when endowed with appropriate data, they can be interpreted as defining a field theoretic description of the fundamental building blocks of quantum spacetime. Their renormalization analysis is crucial both for establishing their consistency as quantum field theories and for studying the emergence of continuum spacetime and geometry from them. In this paper, we study the renormalization group flow of two simple classes of tensorial group field theories (TGFTs), defined for the group G =R for arbitrary rank, both without and with gauge invariance conditions, by means of functional renormalization group techniques. The issue of IR divergences is tackled by the definition of a proper thermodynamic limit for TGFTs. We map the phase diagram of such models, in a simple truncation, and identify both UV and IR fixed points of the RG flow. Encouragingly, for all the models we study, we find evidence for the existence of a phase transition of condensation type.

Potential theory of radiation

NASA Technical Reports Server (NTRS)

Chiu, Huei-Huang

1989-01-01

A theoretical method is being developed by which the structure of a radiation field can be predicted by a radiation potential theory, similar to a classical potential theory. The introduction of a scalar potential is justified on the grounds that the spectral intensity vector is irrotational. The vector is also solenoidal in the limits of a radiation field in complete radiative equilibrium or in a vacuum. This method provides an exact, elliptic type equation that will upgrade the accuracy and the efficiency of the current CFD programs required for the prediction of radiation and flow fields. A number of interesting results emerge from the present study. First, a steady state radiation field exhibits an optically modulated inverse square law distribution character. Secondly, the unsteady radiation field is structured with two conjugate scalar potentials. Each is governed by a Klein-Gordon equation with a frictional force and a restoring force. This steady potential field structure and the propagation of radiation potentials are consistent with the well known results of classical electromagnetic theory. The extension of the radiation potential theory for spray combustion and hypersonic flow is also recommended.

Anomaly-corrected supersymmetry algebra and supersymmetric holographic renormalization

NASA Astrophysics Data System (ADS)

An, Ok Song

2017-12-01

We present a systematic approach to supersymmetric holographic renormalization for a generic 5D N=2 gauged supergravity theory with matter multiplets, including its fermionic sector, with all gauge fields consistently set to zero. We determine the complete set of supersymmetric local boundary counterterms, including the finite counterterms that parameterize the choice of supersymmetric renormalization scheme. This allows us to derive holographically the superconformal Ward identities of a 4D superconformal field theory on a generic background, including the Weyl and super-Weyl anomalies. Moreover, we show that these anomalies satisfy the Wess-Zumino consistency condition. The super-Weyl anomaly implies that the fermionic operators of the dual field theory, such as the supercurrent, do not transform as tensors under rigid supersymmetry on backgrounds that admit a conformal Killing spinor, and their anticommutator with the conserved supercharge contains anomalous terms. This property is explicitly checked for a toy model. Finally, using the anomalous transformation of the supercurrent, we obtain the anomaly-corrected supersymmetry algebra on curved backgrounds admitting a conformal Killing spinor.

Anharmonic vibrational spectra and mode-mode couplings analysis of 2-aminopyridine

NASA Astrophysics Data System (ADS)

Faizan, Mohd; Alam, Mohammad Jane; Afroz, Ziya; Bhat, Sheeraz Ahmad; Ahmad, Shabbir

2018-01-01

Vibrational spectra of 2-aminopyridine (2AP) have been analyzed using the vibrational self-consistence field theory (VSCF), correlated corrected vibrational self-consistence field theory (CC-VSCF) and vibrational perturbation theory (VPT2) at B3LYP/6-311G(d,p) framework. The mode-mode couplings affect the vibrational frequencies and intensities. The coupling integrals between pairs of normal modes have been obtained on the basis of quartic force field (2MR-QFF) approximation. The overtone and combination bands are also assigned in the FTIR spectrum with the help of anharmonic calculation at VPT2 method. A statistical analysis of deviations shows that estimated anharmonic frequencies are closer to the experiment over harmonic approximation. Furthermore, the anharmonic correction has also been carried out for the dimeric structure of 2AP. The fundamental vibration bands have been assigned on the basis of potential energy distribution (PED) and visual look over the animated modes. Other important molecular properties such as frontier molecular orbitals and molecular electrostatics potential mapping have also been analyzed.

Magnetoacoustic Tomography with Magnetic Induction: A Rigorous Theory

PubMed Central

Ma, Qingyu; He, Bin

2013-01-01

We have proposed a new theory on mechanism of the magnetoacoustic signal generation with magnetic induction for an object with an arbitrary shape. An object under a static magnetic field emits acoustic signals when excited by a time-varying magnetic field, and that the acoustic waveform is mainly generated at the conductivity boundaries within the object. The proposed theory on the magnetoacoustic tomography with magnetic induction produced highly consistent results among computational and experimental paradigms in a two-layer sample phantom and suggests the potential applications for bioimpedance imaging. PMID:18270025

Holography in Lovelock Chern-Simons AdS gravity

NASA Astrophysics Data System (ADS)

Cvetković, Branislav; Miskovic, Olivera; Simić, Dejan

2017-08-01

We analyze holographic field theory dual to Lovelock Chern-Simons anti-de Sitter (AdS) gravity in higher dimensions using first order formalism. We first find asymptotic symmetries in the AdS sector showing that they consist of local translations, local Lorentz rotations, dilatations and non-Abelian gauge transformations. Then, we compute 1-point functions of energy-momentum and spin currents in a dual conformal field theory and write Ward identities. We find that the holographic theory possesses Weyl anomaly and also breaks non-Abelian gauge symmetry at the quantum level.

Topics in Higher-Derivative Supergravity and N = 2 Yang-Mills Theories

NASA Astrophysics Data System (ADS)

Hindawi, Ahmed Abdel-Ati

1997-09-01

In Part I of the thesis we discuss higher-derivative theories of gravity. We start by discussing the field content of quadratic higher-derivative gravity, together with a new example of a massless spin-two field consistently coupled to gravity. The full quadratic gravity theory is shown to be equivalent to a canonical second-order theory of a massive scalar field, a massive spin-two symmetric tensor field and gravity. It is shown that flat-space is the only stable vacuum, and that the spin-two field around it is always ghost-like. We give a procedure for exhibiting the new propagating degrees of freedom in a generic higher-derivative gravity, at the full non-linear level. We show that around any vacuum the elementary excitations remain the massless graviton, a massive scalar field and a massive ghost-like spin-two field. In Part II of the thesis we extend our investigations to the realm of supergravity. We consider the general form of quadratic (1, 1) supergravity in two dimensions. It is demonstrated that the theory possesses stable vacua with vanishing cosmological constant which spontaneously break supersymmetry. We then consider higher-derivative N=1 supergravity in four dimensions. We construct two classes of higher-derivative supergravity theories. They are found to be equivalent to Einstein supergravity coupled to one or two chiral superfields and have a rich vacuum structure. It is demonstrated that theories of the second class can possess a stable vacuum with vanishing cosmological constant that spontaneously breaks supersymmetry. We then proceed to show how spontaneous supersymmetry breaking in the vacuum state of higher-derivative supergravity is transmitted, as explicit soft supersymmetry-breaking terms, to the effective Lagrangian of the standard electroweak model. In Part III we use central charge superspace to give a geometrical construction of the N=2 Abelian vector-tensor multiplet consisting, under N=1 supersymmetry, of one vector and one linear multiplet. We derive the component field supersymmetry and central charge transformations, and show that there is a super-Lagrangian, the higher components of which are all total derivatives, allowing us to construct superfield and component actions.

Supersymmetric Sneutrino-Higgs inflation

DOE PAGES

Deen, Rehan; Ovrut, Burt A.; Purves, Austin

2016-10-04

It is shown that in the phenomenologically realistic supersymmetric MSSM theory, a linear combination of the neutral, up Higgs field with the third family left- and right-handed sneutrinos can play the role of the cosmological inflaton. Assuming that supersymmetry is softly broken at a mass scale of order , the potential energy associated with this field allows for 60 e-foldings of inflation with the cosmological parameters being consistent with all Planck2015 data. The theory does not require any non-standard coupling to gravity and the physical fields are all sub-Planckian during the inflationary epoch. It will be shown that there ismore » a “robust” set of initial conditions which, in addition to satisfying the Planck data, simultaneously are consistent with all present LHC phenomenological requirements.« less

Cosmic-ray streaming perpendicular to the mean magnetic field. II - The gyrophase distribution function

NASA Technical Reports Server (NTRS)

Forman, M. A.; Jokipii, J. R.

1978-01-01

The distribution function of cosmic rays streaming perpendicular to the mean magnetic field in a turbulent medium is reexamined. Urch's (1977) discovery that in quasi-linear theory, the flux is due to particles at 90 deg pitch angle is discussed and shown to be consistent with previous formulations of the theory. It is pointed out that this flux of particles at 90 deg cannot be arbitrarily set equal to zero, and hence the alternative theory which proceeds from this premise is dismissed. A further, basic inconsistency in Urch's transport equation is demonstrated, and the connection between quasi-linear theory and compound diffusion is discussed.

On the effective field theory of intersecting D3-branes

NASA Astrophysics Data System (ADS)

Abbaspur, Reza

2018-05-01

We study the effective field theory of two intersecting D3-branes with one common dimension along the lines recently proposed in ref. [1]. We introduce a systematic way of deriving the classical effective action to arbitrary orders in perturbation theory. Using a proper renormalization prescription to handle logarithmic divergencies arising at all orders in the perturbation series, we recover the first order renormalization group equation of ref. [1] plus an infinite set of higher order equations. We show the consistency of the higher order equations with the first order one and hence interpret the first order result as an exact RG flow equation in the classical theory.

Measurement analysis and quantum gravity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Albers, Mark; Kiefer, Claus; Reginatto, Marcel

2008-09-15

We consider the question of whether consistency arguments based on measurement theory show that the gravitational field must be quantized. Motivated by the argument of Eppley and Hannah, we apply a DeWitt-type measurement analysis to a coupled system that consists of a gravitational wave interacting with a mass cube. We also review the arguments of Eppley and Hannah and of DeWitt, and investigate a second model in which a gravitational wave interacts with a quantized scalar field. We argue that one cannot conclude from the existing gedanken experiments that gravity has to be quantized. Despite the many physical arguments whichmore » speak in favor of a quantum theory of gravity, it appears that the justification for such a theory must be based on empirical tests and does not follow from logical arguments alone.« less

Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions.

PubMed

Ma, Dongxia; Li Manni, Giovanni; Olsen, Jeppe; Gagliardi, Laura

2016-07-12

A multireference second-order perturbation theory approach based on the generalized active space self-consistent-field (GASSCF) wave function is presented. Compared with the complete active space (CAS) and restricted active space (RAS) wave functions, GAS wave functions are more flexible and can employ larger active spaces and/or different truncations of the configuration interaction expansion. With GASSCF, one can explore chemical systems that are not affordable with either CASSCF or RASSCF. Perturbation theory to second order on top of GAS wave functions (GASPT2) has been implemented to recover the remaining electron correlation. The method has been benchmarked by computing the chromium dimer ground-state potential energy curve. These calculations show that GASPT2 gives results similar to CASPT2 even with a configuration interaction expansion much smaller than the corresponding CAS expansion.

Geometric low-energy effective action in a doubled spacetime

NASA Astrophysics Data System (ADS)

Ma, Chen-Te; Pezzella, Franco

2018-05-01

The ten-dimensional supergravity theory is a geometric low-energy effective theory and the equations of motion for its fields can be obtained from string theory by computing β functions. With d compact dimensions, an O (d , d ; Z) geometric structure can be added to it giving the supergravity theory with T-duality manifest. In this paper, this is constructed through the use of a suitable star product whose role is the one to implement the weak constraint on the fields and the gauge parameters in order to have a closed gauge symmetry algebra. The consistency of the action here proposed is based on the orthogonality of the momenta associated with fields in their triple star products in the cubic terms defined for d ≥ 1. This orthogonality holds also for an arbitrary number of star products of fields for d = 1. Finally, we extend our analysis to the double sigma model, non-commutative geometry and open string theory.

An Alternative Lattice Field Theory Formulation Inspired by Lattice Supersymmetry-Summary of the Formulation-

NASA Astrophysics Data System (ADS)

D'Adda, Alessandro; Kawamoto, Noboru; Saito, Jun

2018-03-01

We propose a lattice field theory formulation which overcomes some fundamental diffculties in realizing exact supersymmetry on the lattice. The Leibniz rule for the difference operator can be recovered by defining a new product on the lattice, the star product, and the chiral fermion species doublers degrees of freedom can be avoided consistently. This framework is general enough to formulate non-supersymmetric lattice field theory without chiral fermion problem. This lattice formulation has a nonlocal nature and is essentially equivalent to the corresponding continuum theory. We can show that the locality of the star product is recovered exponentially in the continuum limit. Possible regularization procedures are proposed.The associativity of the product and the lattice translational invariance of the formulation will be discussed.

Self-consistent field theory and numerical scheme for calculating the phase diagram of wormlike diblock copolymers

NASA Astrophysics Data System (ADS)

Jiang, Ying; Chen, Jeff Z. Y.

2013-10-01

This paper concerns establishing a theoretical basis and numerical scheme for studying the phase behavior of AB diblock copolymers made of wormlike chains. The general idea of a self-consistent field theory is the combination of the mean-field approach together with a statistical weight that describes the configurational properties of a polymer chain. In recent years, this approach has been extensively used for structural prediction of block copolymers, based on the Gaussian-model description of a polymer chain. The wormlike-chain model has played an important role in the description of polymer systems, covering the semiflexible-to-rod crossover of the polymer properties and the highly stretching regime, which the Gaussian-chain model has difficulties to describe. Although the idea of developing a self-consistent field theory for wormlike chains could be traced back to early development in polymer physics, the solution of such a theory has been limited due to technical difficulties. In particular, a challenge has been to develop a numerical algorithm enabling the calculation of the phase diagram containing three-dimensional structures for wormlike AB diblock copolymers. This paper describes a computational algorithm that combines a number of numerical tricks, which can be used for such a calculation. A phase diagram covering major parameter areas was constructed for the wormlike-chain system and reported by us, where the ratio between the total length and the persistence length of a constituent polymer is suggested as another tuning parameter for the microphase-separated structures; all detailed technical issues are carefully addressed in the current paper.

Coarse-Graining Polymer Field Theory for Fast and Accurate Simulations of Directed Self-Assembly

NASA Astrophysics Data System (ADS)

Liu, Jimmy; Delaney, Kris; Fredrickson, Glenn

To design effective manufacturing processes using polymer directed self-assembly (DSA), the semiconductor industry benefits greatly from having a complete picture of stable and defective polymer configurations. Field-theoretic simulations are an effective way to study these configurations and predict defect populations. Self-consistent field theory (SCFT) is a particularly successful theory for studies of DSA. Although other models exist that are faster to simulate, these models are phenomenological or derived through asymptotic approximations, often leading to a loss of accuracy relative to SCFT. In this study, we employ our recently-developed method to produce an accurate coarse-grained field theory for diblock copolymers. The method uses a force- and stress-matching strategy to map output from SCFT simulations into parameters for an optimized phase field model. This optimized phase field model is just as fast as existing phenomenological phase field models, but makes more accurate predictions of polymer self-assembly, both in bulk and in confined systems. We study the performance of this model under various conditions, including its predictions of domain spacing, morphology and defect formation energies. Samsung Electronics.

On gauge independence for gauge models with soft breaking of BRST symmetry

NASA Astrophysics Data System (ADS)

Reshetnyak, Alexander

2014-12-01

A consistent quantum treatment of general gauge theories with an arbitrary gauge-fixing in the presence of soft breaking of the BRST symmetry in the field-antifield formalism is developed. It is based on a gauged (involving a field-dependent parameter) version of finite BRST transformations. The prescription allows one to restore the gauge-independence of the effective action at its extremals and therefore also that of the conventional S-matrix for a theory with BRST-breaking terms being additively introduced into a BRST-invariant action in order to achieve a consistency of the functional integral. We demonstrate the applicability of this prescription within the approach of functional renormalization group to the Yang-Mills and gravity theories. The Gribov-Zwanziger action and the refined Gribov-Zwanziger action for a many-parameter family of gauges, including the Coulomb, axial and covariant gauges, are derived perturbatively on the basis of finite gauged BRST transformations starting from Landau gauge. It is proved that gauge theories with soft breaking of BRST symmetry can be made consistent if the transformed BRST-breaking terms satisfy the same soft BRST symmetry breaking condition in the resulting gauge as the untransformed ones in the initial gauge, and also without this requirement.

Antigravity Acts on Photons

NASA Astrophysics Data System (ADS)

Brynjolfsson, Ari

2002-04-01

Einstein's general theory of relativity assumes that photons don't change frequency as they move from Sun to Earth. This assumption is correct in classical physics. All experiments proving the general relativity are in the domain of classical physics. This include the tests by Pound et al. of the gravitational redshift of 14.4 keV photons; the rocket experiments by Vessot et al.; the Galileo solar redshift experiments by Krisher et al.; the gravitational deflection of light experiments by Riveros and Vucetich; and delay of echoes of radar signals passing close to Sun as observed by Shapiro et al. Bohr's correspondence principle assures that quantum mechanical theory of general relativity agrees with Einstein's classical theory when frequency and gravitational field gradient approach zero, or when photons cannot interact with the gravitational field. When we treat photons as quantum mechanical particles; we find that gravitational force on photons is reversed (antigravity). This modified theory contradicts the equivalence principle, but is consistent with all experiments. Solar lines and distant stars are redshifted in accordance with author's plasma redshift theory. These changes result in a beautiful consistent cosmology.

Cosmological evolution and Solar System consistency of massive scalar-tensor gravity

NASA Astrophysics Data System (ADS)

de Pirey Saint Alby, Thibaut Arnoulx; Yunes, Nicolás

2017-09-01

The scalar-tensor theory of Damour and Esposito-Farèse recently gained some renewed interest because of its ability to suppress modifications to general relativity in the weak field, while introducing large corrections in the strong field of compact objects through a process called scalarization. A large sector of this theory that allows for scalarization, however, has been shown to be in conflict with Solar System observations when accounting for the cosmological evolution of the scalar field. We here study an extension of this theory by endowing the scalar field with a mass to determine whether this allows the theory to pass Solar System constraints upon cosmological evolution for a larger sector of coupling parameter space. We show that the cosmological scalar field goes first through a quiescent phase, similar to the behavior of a massless field, but then it enters an oscillatory phase, with an amplitude (and frequency) that decays (and grows) exponentially. We further show that after the field enters the oscillatory phase, its effective energy density and pressure are approximately those of dust, as expected from previous cosmological studies. Due to these oscillations, we show that the scalar field cannot be treated as static today on astrophysical scales, and so we use time-dependent perturbation theory to compute the scalar-field-induced modifications to Solar System observables. We find that these modifications are suppressed when the mass of the scalar field and the coupling parameter of the theory are in a wide range, allowing the theory to pass Solar System constraints, while in principle possibly still allowing for scalarization.

Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory.

PubMed

Coriani, Sonia; Høst, Stinne; Jansík, Branislav; Thøgersen, Lea; Olsen, Jeppe; Jørgensen, Poul; Reine, Simen; Pawłowski, Filip; Helgaker, Trygve; Sałek, Paweł

2007-04-21

A linear-scaling implementation of Hartree-Fock and Kohn-Sham self-consistent field theories for the calculation of frequency-dependent molecular response properties and excitation energies is presented, based on a nonredundant exponential parametrization of the one-electron density matrix in the atomic-orbital basis, avoiding the use of canonical orbitals. The response equations are solved iteratively, by an atomic-orbital subspace method equivalent to that of molecular-orbital theory. Important features of the subspace method are the use of paired trial vectors (to preserve the algebraic structure of the response equations), a nondiagonal preconditioner (for rapid convergence), and the generation of good initial guesses (for robust solution). As a result, the performance of the iterative method is the same as in canonical molecular-orbital theory, with five to ten iterations needed for convergence. As in traditional direct Hartree-Fock and Kohn-Sham theories, the calculations are dominated by the construction of the effective Fock/Kohn-Sham matrix, once in each iteration. Linear complexity is achieved by using sparse-matrix algebra, as illustrated in calculations of excitation energies and frequency-dependent polarizabilities of polyalanine peptides containing up to 1400 atoms.

The Origins of the Field Concept in Physics

NASA Astrophysics Data System (ADS)

McMullin, Ernan

The term, ``field,'' made its first appearance in physics as a technical term in the mid-nineteenth century. But the notion of what later came to be called a field had been a long time in gestation. Early discussions of magnetism and of the cause of the ocean tides had long ago suggested the idea of a ``zone of influence'' surrounding certain bodies. Johannes Kepler's mathematical rendering of the orbital motion of Mars encouraged him to formulate what he called ``a true theory of gravity'' involving the notion of attraction. Isaac Newton went on to construct an eminently effective dynamics, with attraction as its primary example of force. Was his a field theory? Historians of science disagree. Much depends on whether a theory consistent with the notion of action at a distance ought qualify as a ``field'' theory. Roger Boscovich and Immanuel Kant later took the Newtonian concept of attraction in new directions. It was left to Michael Faraday to propose the ``physical existence'' of lines of force and to James Clerk Maxwell to add as criterion the presence of energy as the ontological basis for a full-blown ``field theory'' of electromagnetic phenomena.

Recent developments in bimetric theory

NASA Astrophysics Data System (ADS)

Schmidt-May, Angnis; von Strauss, Mikael

2016-05-01

This review is dedicated to recent progress in the field of classical, interacting, massive spin-2 theories, with a focus on ghost-free bimetric theory. We will outline its history and its development as a nontrivial extension and generalisation of nonlinear massive gravity. We present a detailed discussion of the consistency proofs of both theories, before we review Einstein solutions to the bimetric equations of motion in vacuum as well as the resulting mass spectrum. We introduce couplings to matter and then discuss the general relativity and massive gravity limits of bimetric theory, which correspond to decoupling the massive or the massless spin-2 field from the matter sector, respectively. More general classical solutions are reviewed and the present status of bimetric cosmology is summarised. An interesting corner in the bimetric parameter space which could potentially give rise to a nonlinear theory for partially massless spin-2 fields is also discussed. Relations to higher-curvature theories of gravity are explained and finally we give an overview of possible extensions of the theory and review its formulation in terms of vielbeins.

Cosmic ray sources, acceleration and propagation

NASA Technical Reports Server (NTRS)

Ptuskin, V. S.

1986-01-01

A review is given of selected papers on the theory of cosmic ray (CR) propagation and acceleration. The high isotropy and a comparatively large age of galactic CR are explained by the effective interaction of relativistic particles with random and regular electromagnetic fields in interstellar medium. The kinetic theory of CR propagation in the Galaxy is formulated similarly to the elaborate theory of CR propagation in heliosphere. The substantial difference between these theories is explained by the necessity to take into account in some cases the collective effects due to a rather high density of relativisitc particles. In particular, the kinetic CR stream instability and the hydrodynamic Parker instability is studied. The interaction of relativistic particles with an ensemble of given weak random magnetic fields is calculated by perturbation theory. The theory of CR transfer is considered to be basically completed for this case. The main problem consists in poor information about the structure of the regular and the random galactic magnetic fields. An account is given of CR transfer in a turbulent medium.

Positive energy conditions in 4D conformal field theory

DOE PAGES

Farnsworth, Kara; Luty, Markus A.; Prilepina, Valentina

2016-10-03

Here, we argue that all consistent 4D quantum field theories obey a spacetime-averaged weak energy inequality < T 00 > ≥ –C/L 4, where L is the size of the smearing region, and C is a positive constant that depends on the theory. If this condition is violated, the theory has states that are indistinguishable from states of negative total energy by any local measurement, and we expect instabilities or other inconsistencies. We apply this condition to 4D conformal field theories, and find that it places constraints on the OPE coefficients of the theory. The constraints we find are weakermore » than the “conformal collider” constraints of Hofman and Maldacena. In 3D CFTs, the only constraint we find is equivalent to the positivity of 2-point function of the energy-momentum tensor, which follows from unitarity. Our calculations are performed using momentum-space Wightman functions, which are remarkably simple functions of momenta, and may be of interest in their own right.« less

Self-consistent field model for strong electrostatic correlations and inhomogeneous dielectric media.

PubMed

Ma, Manman; Xu, Zhenli

2014-12-28

Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these effects in the framework of the self-consistent field theory. The model incorporates a space- or field-dependent dielectric permittivity and an excluded ion-size effect for the correlation energy. This results in a self-energy modified Poisson-Nernst-Planck or Poisson-Boltzmann equation together with state equations for the self energy and the dielectric function. We show that the ionic size is of significant importance in predicting a finite self energy for an ion in an inhomogeneous medium. Asymptotic approximation is proposed for the solution of a generalized Debye-Hückel equation, which has been shown to capture the ionic correlation and dielectric self energy. Through simulating ionic distribution surrounding a macroion, the modified self-consistent field model is shown to agree with particle-based Monte Carlo simulations. Numerical results for symmetric and asymmetric electrolytes demonstrate that the model is able to predict the charge inversion at high correlation regime in the presence of multivalent interfacial ions which is beyond the mean-field theory and also show strong effect to double layer structure due to the space- or field-dependent dielectric permittivity.

The edge of supersymmetry: Stability walls in heterotic theory

DOE PAGES

Anderson, Lara B.; Gray, James; Lukas, Andre; ...

2009-05-15

We explicitly describe, in the language of four-dimensional N = 1 supersymmetric field theory, what happens when the moduli of a heterotic Calabi-Yau compactification change so as to make the internal non-Abelian gauge fields non-supersymmetric. At the edge of the region in Kähler moduli space where supersymmetry can be preserved, an additional anomalous U(1) gauge symmetry appears in the four-dimensional theory. The D-term contribution to the scalar potential associated to this U(1) attempts to force the system back into a supersymmetric configuration and provides a consistent low-energy description of gauge bundle stability.

Nonsymmetric gravity theories: Inconsistencies and a cure

NASA Astrophysics Data System (ADS)

Damour, T.; Deser, S.; McCarthy, J.

1993-02-01

Motivated by the apparent dependence of string σ models on the sum of spacetime metric and antisymmetric tensor fields, we reconsider gravity theories constructed from a nonsymmetric metric. We first show, by expanding in powers of the antisymmetric field, that all such ``geometrical'' theories homogeneous in second derivatives violate standard physical requirements: ghost freedom, absence of algebraic inconsistencies, or continuity of degree-of-freedom content. This no-go result applies in particular to the old unified theory of Einstein and its recent avatars. However, we find that the addition of nonderivative, ``cosmological'' terms formally restores consistency by giving a mass to the antisymmetric tensor field, thereby transmuting it into a fifth-force-like massive vector but with novel possible matter couplings. The resulting macroscopic models also exhibit ``van der Waals''-type gravitational effects, and may provide useful phenomenological foils to general relativity.

Inverse bootstrapping conformal field theories

NASA Astrophysics Data System (ADS)

Li, Wenliang

2018-01-01

We propose a novel approach to study conformal field theories (CFTs) in general dimensions. In the conformal bootstrap program, one usually searches for consistent CFT data that satisfy crossing symmetry. In the new method, we reverse the logic and interpret manifestly crossing-symmetric functions as generating functions of conformal data. Physical CFTs can be obtained by scanning the space of crossing-symmetric functions. By truncating the fusion rules, we are able to concentrate on the low-lying operators and derive some approximate relations for their conformal data. It turns out that the free scalar theory, the 2d minimal model CFTs, the ϕ 4 Wilson-Fisher CFT, the Lee-Yang CFTs and the Ising CFTs are consistent with the universal relations from the minimal fusion rule ϕ 1 × ϕ 1 = I + ϕ 2 + T , where ϕ 1 , ϕ 2 are scalar operators, I is the identity operator and T is the stress tensor.

Large D-2 theory of superconducting fluctuations in a magnetic field and its application to iron pnictides.

PubMed

Murray, James M; Tesanović, Zlatko

2010-07-16

A Ginzburg-Landau approach to fluctuations of a layered superconductor in a magnetic field is used to show that the interlayer coupling can be incorporated within an interacting self-consistent theory of a single layer, in the limit of a large number of neighboring layers. The theory exhibits two phase transitions-a vortex liquid-to-solid transition is followed by a Bose-Einstein condensation into the Abrikosov lattice-illustrating the essential role of interlayer coupling. By using this theory, explicit expressions for magnetization, specific heat, and fluctuation conductivity are derived. We compare our results with recent experimental data on the iron-pnictide superconductors.

Modified gravity (MOG), the speed of gravitational radiation and the event GW170817/GRB170817A

NASA Astrophysics Data System (ADS)

Green, M. A.; Moffat, J. W.; Toth, V. T.

2018-05-01

Modified gravity (MOG) is a covariant, relativistic, alternative gravitational theory whose field equations are derived from an action that supplements the spacetime metric tensor with vector and scalar fields. Both gravitational (spin 2) and electromagnetic waves travel on null geodesics of the theory's one metric. MOG satisfies the weak equivalence principle and is consistent with observations of the neutron star merger and gamma ray burster event GW170817/GRB170817A.

One-loop Pfaffians and large-field inflation in string theory

NASA Astrophysics Data System (ADS)

Ruehle, Fabian; Wieck, Clemens

2017-06-01

We study the consistency of large-field inflation in low-energy effective field theories of string theory. In particular, we focus on the stability of Kähler moduli in the particularly interesting case where the non-perturbative superpotential of the Kähler sector explicitly depends on the inflaton field. This situation arises generically due to one-loop corrections to the instanton action. The field dependence of the modulus potential feeds back into the inflationary dynamics, potentially impairing slow roll. We distinguish between world-sheet instantons from Euclidean D-branes, which typically yield polynomial one-loop Pfaffians, and gaugino condensates, which can yield exponential or periodic corrections. In all scenarios successful slow-roll inflation imposes bounds on the magnitude of the one-loop correction, corresponding to constraints on possible compactifications. While we put a certain emphasis on Type IIB constructions with mobile D7-branes, our results seem to apply more generally.

Field theory of hyperfluid

NASA Astrophysics Data System (ADS)

Ariki, Taketo

2018-02-01

A hyperfluid model is constructed on the basis of its action entirely free from external constraints, regarding the hyperfluid as a self-consistent classical field. Intrinsic hypermomentum is no longer a supplemental variable given by external constraints, but arises purely from the diffeomorphism covariance of dynamical field. The field-theoretic approach allows natural classification of a hyperfluid on the basis of its symmetry group and corresponding homogeneous space; scalar, spinor, vector, and tensor fluids are introduced as simple examples. Apart from phenomenological constraints, the theory predicts the hypermomentum exchange of fluid via field-theoretic interactions of various classes; fluid–fluid interactions, minimal and non-minimal SU(n) -gauge couplings, and coupling with metric-affine gravity are all successfully formulated within the classical regime.

Covariant effective action for a Galilean invariant quantum Hall system

NASA Astrophysics Data System (ADS)

Geracie, Michael; Prabhu, Kartik; Roberts, Matthew M.

2016-09-01

We construct effective field theories for gapped quantum Hall systems coupled to background geometries with local Galilean invariance i.e. Bargmann spacetimes. Along with an electromagnetic field, these backgrounds include the effects of curved Galilean spacetimes, including torsion and a gravitational field, allowing us to study charge, energy, stress and mass currents within a unified framework. A shift symmetry specific to single constituent theories constraints the effective action to couple to an effective background gauge field and spin connection that is solved for by a self-consistent equation, providing a manifestly covariant extension of Hoyos and Son's improvement terms to arbitrary order in m.

DOE Office of Scientific and Technical Information (OSTI.GOV)

George, Damien P.; Mooij, Sander; Postma, Marieke, E-mail: dpg39@cam.ac.uk, E-mail: sander.mooij@ing.uchile.cl, E-mail: mpostma@nikhef.nl

We compute the one-loop renormalization group equations for Standard Model Higgs inflation. The calculation is done in the Einstein frame, using a covariant formalism for the multi-field system. All counterterms, and thus the betafunctions, can be extracted from the radiative corrections to the two-point functions; the calculation of higher n-point functions then serves as a consistency check of the approach. We find that the theory is renormalizable in the effective field theory sense in the small, mid and large field regime. In the large field regime our results differ slightly from those found in the literature, due to a differentmore » treatment of the Goldstone bosons.« less

Do superconductors violate Lenz's law? Body rotation under field cooling and theoretical implications

NASA Astrophysics Data System (ADS)

Hirsch, J. E.

2007-07-01

When a magnetic field is turned on, a superconducting body acquires an angular momentum in direction opposite to the applied field. This gyromagnetic effect has been established experimentally and is understood theoretically. However, the corresponding situation when a superconductor is cooled in a pre-existent field has not been examined. We argue that the conventional theory of superconductivity does not provide a prediction for the outcome of that experiment that does not violate fundamental laws of physics, either Lenz's law or conservation of angular momentum. The theory of hole superconductivity predicts an outcome of this experiment consistent with the laws of physics.

Two Virasoro symmetries in stringy warped AdS 3

DOE PAGES

Compere, Geoffrey; Guica, Monica; Rodriguez, Maria J.

2014-12-02

We study three-dimensional consistent truncations of type IIB supergravity which admit warped AdS 3 solutions. These theories contain subsectors that have no bulk dynamics. We show that the symplectic form for these theories, when restricted to the non-dynamical subsectors, equals the symplectic form for pure Einstein gravity in AdS 3. Consequently, for each consistent choice of boundary conditions in AdS 3, we can define a consistent phase space in warped AdS 3 with identical conserved charges. This way, we easily obtain a Virasoro × Virasoro asymptotic symmetry algebra in warped AdS 3; two different types of Virasoro × Kač-Moody symmetriesmore » are also consistent alternatives. Next, we study the phase space of these theories when propagating modes are included. We show that, as long as one can define a conserved symplectic form without introducing instabilities, the Virasoro × Virasoro asymptotic symmetries can be extended to the entire (linearised) phase space. In conclusion, this implies that, at least at semi-classical level, consistent theories of gravity in warped AdS 3 are described by a two-dimensional conformal field theory, as long as stability is not an issue.« less

Two Virasoro symmetries in stringy warped AdS 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Compere, Geoffrey; Guica, Monica; Rodriguez, Maria J.

We study three-dimensional consistent truncations of type IIB supergravity which admit warped AdS 3 solutions. These theories contain subsectors that have no bulk dynamics. We show that the symplectic form for these theories, when restricted to the non-dynamical subsectors, equals the symplectic form for pure Einstein gravity in AdS 3. Consequently, for each consistent choice of boundary conditions in AdS 3, we can define a consistent phase space in warped AdS 3 with identical conserved charges. This way, we easily obtain a Virasoro × Virasoro asymptotic symmetry algebra in warped AdS 3; two different types of Virasoro × Kač-Moody symmetriesmore » are also consistent alternatives. Next, we study the phase space of these theories when propagating modes are included. We show that, as long as one can define a conserved symplectic form without introducing instabilities, the Virasoro × Virasoro asymptotic symmetries can be extended to the entire (linearised) phase space. In conclusion, this implies that, at least at semi-classical level, consistent theories of gravity in warped AdS 3 are described by a two-dimensional conformal field theory, as long as stability is not an issue.« less

Researching Research: Mathematics Education in the Political

ERIC Educational Resources Information Center

Pais, Alexandre; Valero, Paola

2012-01-01

We discuss contemporary theories in mathematics education in order to do research on research. Our strategy consists of analysing discursively and ideologically recent key publications addressing the role of theory in mathematics education research. We examine how the field fabricates its object of research by deploying Foucault's notion of…

Construction of non-Abelian gauge theories on noncommutative spaces

NASA Astrophysics Data System (ADS)

Jurčo, B.; Möller, L.; Schraml, S.; Schupp, P.; Wess, J.

We present a formalism to explicitly construct non-Abelian gauge theories on noncommutative spaces (induced via a star product with a constant Poisson tensor) from a consistency relation. This results in an expansion of the gauge parameter, the noncommutative gauge potential and fields in the fundamental representation, in powers of a parameter of the noncommutativity. This allows the explicit construction of actions for these gauge theories.

COSMOS-e'-soft Higgsotic attractors

NASA Astrophysics Data System (ADS)

Choudhury, Sayantan

2017-07-01

In this work, we have developed an elegant algorithm to study the cosmological consequences from a huge class of quantum field theories (i.e. superstring theory, supergravity, extra dimensional theory, modified gravity, etc.), which are equivalently described by soft attractors in the effective field theory framework. In this description we have restricted our analysis for two scalar fields - dilaton and Higgsotic fields minimally coupled with Einstein gravity, which can be generalized for any arbitrary number of scalar field contents with generalized non-canonical and non-minimal interactions. We have explicitly used R^2 gravity, from which we have studied the attractor and non-attractor phases by exactly computing two point, three point and four point correlation functions from scalar fluctuations using the In-In (Schwinger-Keldysh) and the δ N formalisms. We have also presented theoretical bounds on the amplitude, tilt and running of the primordial power spectrum, various shapes (equilateral, squeezed, folded kite or counter-collinear) of the amplitude as obtained from three and four point scalar functions, which are consistent with observed data. Also the results from two point tensor fluctuations and the field excursion formula are explicitly presented for the attractor and non-attractor phase. Further, reheating constraints, scale dependent behavior of the couplings and the dynamical solution for the dilaton and Higgsotic fields are also presented. New sets of consistency relations between two, three and four point observables are also presented, which shows significant deviation from canonical slow-roll models. Additionally, three possible theoretical proposals have presented to overcome the tachyonic instability at the time of late time acceleration. Finally, we have also provided the bulk interpretation from the three and four point scalar correlation functions for completeness.

Emergent geometric description for a topological phase transition in the Kitaev superconductor model

NASA Astrophysics Data System (ADS)

Kim, Ki-Seok; Park, Miok; Cho, Jaeyoon; Park, Chanyong

2017-10-01

Resorting to Wilsonian renormalization group (RG) transformations, we propose an emergent geometric description for a topological phase transition in the Kitaev superconductor model. An effective field theory consists of an emergent bulk action with an extra dimension, an ultraviolet (UV) boundary condition for an initial value of a coupling function, and an infrared (IR) effective action with a fully renormalized coupling function. The bulk action describes the evolution of the coupling function along the direction of the extra dimension, where the extra dimension is identified with an RG scale and the resulting equation of motion is nothing but a β function. In particular, the IR effective field theory turns out to be consistent with a Callan-Symanzik equation which takes into account both the bulk and IR boundary contributions. This derived Callan-Symanzik equation gives rise to a metric structure. Based on this emergent metric tensor, we uncover the equivalence of the entanglement entropy between the emergent geometric description and the quantum field theory in the vicinity of the quantum critical point.

Self-consistent Green's function embedding for advanced electronic structure methods based on a dynamical mean-field concept

NASA Astrophysics Data System (ADS)

Chibani, Wael; Ren, Xinguo; Scheffler, Matthias; Rinke, Patrick

2016-04-01

We present an embedding scheme for periodic systems that facilitates the treatment of the physically important part (here a unit cell or a supercell) with advanced electronic structure methods, that are computationally too expensive for periodic systems. The rest of the periodic system is treated with computationally less demanding approaches, e.g., Kohn-Sham density-functional theory, in a self-consistent manner. Our scheme is based on the concept of dynamical mean-field theory formulated in terms of Green's functions. Our real-space dynamical mean-field embedding scheme features two nested Dyson equations, one for the embedded cluster and another for the periodic surrounding. The total energy is computed from the resulting Green's functions. The performance of our scheme is demonstrated by treating the embedded region with hybrid functionals and many-body perturbation theory in the GW approach for simple bulk systems. The total energy and the density of states converge rapidly with respect to the computational parameters and approach their bulk limit with increasing cluster (i.e., computational supercell) size.

A model of the open magnetosphere. [with field configuration based on Chapman-Ferraro theory

NASA Technical Reports Server (NTRS)

Kan, J. R.; Akasofu, S.-I.

1974-01-01

The Chapman-Ferraro image method is extended to construct an idealized model of the open magnetosphere that responds to a change of the interplanetary field direction as well as to a change of the field magnitude or of the solar wind momentum flux. The magnetopause of the present model is an infinite plane surface having a normal field component distribution that is consistent with the merging theory. An upper limit on the inward displacement of the magnetopause following a southward turning of the interplanetary field is obtained. The results are in fair agreement with a single event reported by Aubry et al. (1971). The model determines the field configuration and the total magnetic flux connecting the magnetosphere to interplanetary space.

Black holes in quasi-topological gravity and conformal couplings

NASA Astrophysics Data System (ADS)

Chernicoff, Mariano; Fierro, Octavio; Giribet, Gaston; Oliva, Julio

2017-02-01

Lovelock theory of gravity provides a tractable model to investigate the effects of higher-curvature terms in the context of AdS/CFT. Yielding second order, ghost-free field equations, this theory represents a minimal setup in which higher-order gravitational couplings in asymptotically Anti-de Sitter (AdS) spaces, including black holes, can be solved analytically. This however has an obvious limitation as in dimensions lower than seven, the contribution from cubic or higher curvature terms is merely topological. Therefore, in order to go beyond quadratic order and study higher terms in AdS5 analytically, one is compelled to look for other toy models. One such model is the so-called quasi-topological gravity, which, despite being a higher-derivative theory, provides a tractable setup with R 3 and R 4 terms. In this paper, we investigate AdS5 black holes in quasi-topological gravity. We consider the theory conformally coupled to matter and in presence of Abelian gauge fields. We show that charged black holes in AdS5 which, in addition, exhibit a backreaction of the matter fields on the geometry can be found explicitly in this theory. These solutions generalize the black hole solution of quasi-topological gravity and exist in a region of the parameter spaces consistent with the constraints coming from causality and other consistency conditions. They have finite conserved charges and exhibit non-trivial thermodynamical properties.

Random Fields and Collective Effects in Molecular Magnets

DTIC Science & Technology

2018-01-29

longitudinal fields the final state consists of only partially reversed spins. Further, we measured the front speed as a function of applied magnetic...field. The theory of magnetic deflagration, together with a modification that takes into account the partial spin reversal, fits the transverse field...Conference Paper or Presentation Conference Name: APS March Meeting 2016 Conference Location: Baltimore, Paper Title: Time-resolved Measurements

Statistical field theory description of inhomogeneous polarizable soft matter

NASA Astrophysics Data System (ADS)

Martin, Jonathan M.; Li, Wei; Delaney, Kris T.; Fredrickson, Glenn H.

2016-10-01

We present a new molecularly informed statistical field theory model of inhomogeneous polarizable soft matter. The model is based on fluid elements, referred to as beads, that can carry a net monopole of charge at their center of mass and a fixed or induced dipole through a Drude-type distributed charge approach. The beads are thus polarizable and naturally manifest attractive van der Waals interactions. Beyond electrostatic interactions, beads can be given soft repulsions to sustain fluid phases at arbitrary densities. Beads of different types can be mixed or linked into polymers with arbitrary chain models and sequences of charged and uncharged beads. By such an approach, it is possible to construct models suitable for describing a vast range of soft-matter systems including electrolyte and polyelectrolyte solutions, ionic liquids, polymerized ionic liquids, polymer blends, ionomers, and block copolymers, among others. These bead models can be constructed in virtually any ensemble and converted to complex-valued statistical field theories by Hubbard-Stratonovich transforms. One of the fields entering the resulting theories is a fluctuating electrostatic potential; other fields are necessary to decouple non-electrostatic interactions. We elucidate the structure of these field theories, their consistency with macroscopic electrostatic theory in the absence and presence of external electric fields, and the way in which they embed van der Waals interactions and non-uniform dielectric properties. Their suitability as a framework for computational studies of heterogeneous soft matter systems using field-theoretic simulation techniques is discussed.

Statistical field theory description of inhomogeneous polarizable soft matter.

PubMed

Martin, Jonathan M; Li, Wei; Delaney, Kris T; Fredrickson, Glenn H

2016-10-21

We present a new molecularly informed statistical field theory model of inhomogeneous polarizable soft matter. The model is based on fluid elements, referred to as beads, that can carry a net monopole of charge at their center of mass and a fixed or induced dipole through a Drude-type distributed charge approach. The beads are thus polarizable and naturally manifest attractive van der Waals interactions. Beyond electrostatic interactions, beads can be given soft repulsions to sustain fluid phases at arbitrary densities. Beads of different types can be mixed or linked into polymers with arbitrary chain models and sequences of charged and uncharged beads. By such an approach, it is possible to construct models suitable for describing a vast range of soft-matter systems including electrolyte and polyelectrolyte solutions, ionic liquids, polymerized ionic liquids, polymer blends, ionomers, and block copolymers, among others. These bead models can be constructed in virtually any ensemble and converted to complex-valued statistical field theories by Hubbard-Stratonovich transforms. One of the fields entering the resulting theories is a fluctuating electrostatic potential; other fields are necessary to decouple non-electrostatic interactions. We elucidate the structure of these field theories, their consistency with macroscopic electrostatic theory in the absence and presence of external electric fields, and the way in which they embed van der Waals interactions and non-uniform dielectric properties. Their suitability as a framework for computational studies of heterogeneous soft matter systems using field-theoretic simulation techniques is discussed.

Conserved charge of a gravity theory with p -form gauge fields and its property under Kaluza-Klein reduction

NASA Astrophysics Data System (ADS)

Peng, Jun-Jin

2017-05-01

In this paper, we investigate the conserved charges of generally diffeomorphism invariant gravity theories with a wide variety of matter fields, particularly of the theories with multiple scalar fields and p -form potentials, in the context of the off-shell generalized Abbott-Deser-Tekin (ADT) formalism. We first construct a new off-shell ADT current that consists of the terms for the variation of a Killing vector and expressions of the field equations as well as the Lie derivative of a surface term with respect to the Killing vector within the framework of generally diffeomorphism invariant gravity theories involving various matter fields. After deriving the off-shell ADT potential corresponding to this current, we propose a formula of conserved charges for these theories. Next, we derive the off-shell ADT potential associated with the generic Lagrangian that describes a large range of gravity theories with a number of scalar fields and p -form potentials. Finally, the properties of the off-shell generalized ADT charges for the theory of Einstein gravity and the gravity theories with a single p -form potential are investigated by performing Kaluza-Klein dimensional reduction along a compactified direction. The results indicate that the charge contributed by all the fields in the lower-dimensional theory is equal to that of the higher-dimensional one at mathematical level with the hypothesis that the higher-dimensional spacetime allows for the existence of the compactified dimension. In order to illustrate our calculations, the mass and angular momentum for the five-dimensional rotating Kaluza-Klein black holes are explicitly evaluated as an example.

Tunable terahertz optical properties of graphene in dc electric fields

NASA Astrophysics Data System (ADS)

Dong, H. M.; Huang, F.; Xu, W.

2018-03-01

We develop a simple theoretical approach to investigate terahertz (THz) optical properties of monolayer graphene in the presence of an external dc electric field. The analytical results for optical coefficients such as the absorptance and reflectivity are obtained self-consistently on the basis of a diagrammatic self-consistent field theory and a Boltzmann equilibrium equation. It is found that the optical refractive index, reflectivity and conductivity can be effectively tuned by not only a gate voltage but also a driving dc electric field. This study is relevant to the applications of graphene as advanced THz optoelectronic devices.

A Theory and Experiments for Detecting Shock Locations

NASA Technical Reports Server (NTRS)

Hariharan, S. I.; Johnson, D. K.; Adamovsky, G.

1994-01-01

In this paper we present a simplified one-dimensional theory for predicting locations of normal shocks in a converging diverging nozzle. The theory assumes that the flow is quasi one-dimensional and the flow is accelerated in the throat area. Optical aspects of the model consider propagation of electromagnetic fields transverse to the shock front. The theory consists of an inverse problem in which from the measured intensity it reconstructs an index of refraction profile for the shock. From this profile and the Dale-Gladstone relation, the density in the flow field is determined, thus determining the shock location. Experiments show agreement with the theory. In particular the location is determined within 10 percent of accuracy. Both the theoretical as well as the experimental results are presented to validate the procedures in this work.

From 6D superconformal field theories to dynamic gauged linear sigma models

NASA Astrophysics Data System (ADS)

Apruzzi, Fabio; Hassler, Falk; Heckman, Jonathan J.; Melnikov, Ilarion V.

2017-09-01

Compactifications of six-dimensional (6D) superconformal field theories (SCFTs) on four- manifolds generate a large class of novel two-dimensional (2D) quantum field theories. We consider in detail the case of the rank-one simple non-Higgsable cluster 6D SCFTs. On the tensor branch of these theories, the gauge group is simple and there are no matter fields. For compactifications on suitably chosen Kähler surfaces, we present evidence that this provides a method to realize 2D SCFTs with N =(0 ,2 ) supersymmetry. In particular, we find that reduction on the tensor branch of the 6D SCFT yields a description of the same 2D fixed point that is described in the UV by a gauged linear sigma model (GLSM) in which the parameters are promoted to dynamical fields, that is, a "dynamic GLSM" (DGLSM). Consistency of the model requires the DGLSM to be coupled to additional non-Lagrangian sectors obtained from reduction of the antichiral two-form of the 6D theory. These extra sectors include both chiral and antichiral currents, as well as spacetime filling noncritical strings of the 6D theory. For each candidate 2D SCFT, we also extract the left- and right-moving central charges in terms of data of the 6D SCFT and the compactification manifold.

Representing the Electromagnetic Field: How Maxwell's Mathematics Empowered Faraday's Field Theory

NASA Astrophysics Data System (ADS)

Tweney, Ryan D.

2011-07-01

James Clerk Maxwell `translated' Michael Faraday's experimentally-based field theory into the mathematical representation now known as `Maxwell's Equations.' Working with a variety of mathematical representations and physical models Maxwell extended the reach of Faraday's theory and brought it into consistency with other results in the physics of electricity and magnetism. Examination of Maxwell's procedures opens many issues about the role of mathematical representation in physics and the learning background required for its success. Specifically, Maxwell's training in `Cambridge University' mathematical physics emphasized the use of analogous equations across fields of physics and the repeated solving of extremely difficult problems in physics. Such training develops an array of overlearned mathematical representations supported by highly sophisticated cognitive mechanisms for the retrieval of relevant information from long term memory. For Maxwell, mathematics constituted a new form of representation in physics, enhancing the formal derivational and calculational role of mathematics and opening a cognitive means for the conduct of `experiments in the mind' and for sophisticated representations of theory.

Electrostatic correlations in inhomogeneous charged fluids beyond loop expansion

NASA Astrophysics Data System (ADS)

Buyukdagli, Sahin; Achim, C. V.; Ala-Nissila, T.

2012-09-01

Electrostatic correlation effects in inhomogeneous symmetric electrolytes are investigated within a previously developed electrostatic self-consistent theory [R. R. Netz and H. Orland, Eur. Phys. J. E 11, 301 (2003)], 10.1140/epje/i2002-10159-0. To this aim, we introduce two computational approaches that allow to solve the self-consistent equations beyond the loop expansion. The first method is based on a perturbative Green's function technique, and the second one is an extension of a previously introduced semiclassical approximation for single dielectric interfaces to the case of slit nanopores. Both approaches can handle the case of dielectrically discontinuous boundaries where the one-loop theory is known to fail. By comparing the theoretical results obtained from these schemes with the results of the Monte Carlo simulations that we ran for ions at neutral single dielectric interfaces, we first show that the weak coupling Debye-Huckel theory remains quantitatively accurate up to the bulk ion density ρb ≃ 0.01 M, whereas the self-consistent theory exhibits a good quantitative accuracy up to ρb ≃ 0.2 M, thus improving the accuracy of the Debye-Huckel theory by one order of magnitude in ionic strength. Furthermore, we compare the predictions of the self-consistent theory with previous Monte Carlo simulation data for charged dielectric interfaces and show that the proposed approaches can also accurately handle the correlation effects induced by the surface charge in a parameter regime where the mean-field result significantly deviates from the Monte Carlo data. Then, we derive from the perturbative self-consistent scheme the one-loop theory of asymmetrically partitioned salt systems around a dielectrically homogeneous charged surface. It is shown that correlation effects originate in these systems from a competition between the salt screening loss at the interface driving the ions to the bulk region, and the interfacial counterion screening excess attracting them towards the surface. This competition can be quantified in terms of the characteristic surface charge σ _s^*=√{2ρ _b/(π ℓ _B)}, where ℓB = 7 Å is the Bjerrum length. In the case of weak surface charges σ _s≪ σ _s^* where counterions form a diffuse layer, the interfacial salt screening loss is the dominant effect. As a result, correlation effects decrease the mean-field density of both coions and counterions. With an increase of the surface charge towards σ _s^*, the surface-attractive counterion screening excess starts to dominate, and correlation effects amplify in this regime the mean-field density of both type of ions. However, in the regime σ _s>σ _s^*, the same counterion screening excess also results in a significant decrease of the electrostatic mean-field potential. This reduces in turn the mean-field counterion density far from the charged surface. We also show that for σ _s≫ σ _s^*, electrostatic correlations result in a charge inversion effect. However, the electrostatic coupling regime where this phenomenon takes place should be verified with Monte Carlo simulations since this parameter regime is located beyond the validity range of the one-loop theory.

Electrostatic correlations in inhomogeneous charged fluids beyond loop expansion.

PubMed

Buyukdagli, Sahin; Achim, C V; Ala-Nissila, T

2012-09-14

Electrostatic correlation effects in inhomogeneous symmetric electrolytes are investigated within a previously developed electrostatic self-consistent theory [R. R. Netz and H. Orland, Eur. Phys. J. E 11, 301 (2003)]. To this aim, we introduce two computational approaches that allow to solve the self-consistent equations beyond the loop expansion. The first method is based on a perturbative Green's function technique, and the second one is an extension of a previously introduced semiclassical approximation for single dielectric interfaces to the case of slit nanopores. Both approaches can handle the case of dielectrically discontinuous boundaries where the one-loop theory is known to fail. By comparing the theoretical results obtained from these schemes with the results of the Monte Carlo simulations that we ran for ions at neutral single dielectric interfaces, we first show that the weak coupling Debye-Huckel theory remains quantitatively accurate up to the bulk ion density ρ(b) ≃ 0.01 M, whereas the self-consistent theory exhibits a good quantitative accuracy up to ρ(b) ≃ 0.2 M, thus improving the accuracy of the Debye-Huckel theory by one order of magnitude in ionic strength. Furthermore, we compare the predictions of the self-consistent theory with previous Monte Carlo simulation data for charged dielectric interfaces and show that the proposed approaches can also accurately handle the correlation effects induced by the surface charge in a parameter regime where the mean-field result significantly deviates from the Monte Carlo data. Then, we derive from the perturbative self-consistent scheme the one-loop theory of asymmetrically partitioned salt systems around a dielectrically homogeneous charged surface. It is shown that correlation effects originate in these systems from a competition between the salt screening loss at the interface driving the ions to the bulk region, and the interfacial counterion screening excess attracting them towards the surface. This competition can be quantified in terms of the characteristic surface charge σ(s)*=√(2ρ(b)/(πl(B)), where l(B) = 7 Å is the Bjerrum length. In the case of weak surface charges σ(s)≪σ(s)* where counterions form a diffuse layer, the interfacial salt screening loss is the dominant effect. As a result, correlation effects decrease the mean-field density of both coions and counterions. With an increase of the surface charge towards σ(s)*, the surface-attractive counterion screening excess starts to dominate, and correlation effects amplify in this regime the mean-field density of both type of ions. However, in the regime σ(s)>σ(s)*, the same counterion screening excess also results in a significant decrease of the electrostatic mean-field potential. This reduces in turn the mean-field counterion density far from the charged surface. We also show that for σ(s)≫σ(s)*, electrostatic correlations result in a charge inversion effect. However, the electrostatic coupling regime where this phenomenon takes place should be verified with Monte Carlo simulations since this parameter regime is located beyond the validity range of the one-loop theory.

Time-dependent density functional theory (TD-DFT) coupled with reference interaction site model self-consistent field explicitly including spatial electron density distribution (RISM-SCF-SEDD)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yokogawa, D., E-mail: d.yokogawa@chem.nagoya-u.ac.jp; Institute of Transformative Bio-Molecules

2016-09-07

Theoretical approach to design bright bio-imaging molecules is one of the most progressing ones. However, because of the system size and computational accuracy, the number of theoretical studies is limited to our knowledge. To overcome the difficulties, we developed a new method based on reference interaction site model self-consistent field explicitly including spatial electron density distribution and time-dependent density functional theory. We applied it to the calculation of indole and 5-cyanoindole at ground and excited states in gas and solution phases. The changes in the optimized geometries were clearly explained with resonance structures and the Stokes shift was correctly reproduced.

No-Go Theorem for k-Essence Dark Energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bonvin, Camille; Caprini, Chiara; Durrer, Ruth

We demonstrate that if k-essence can solve the coincidence problem and play the role of dark energy in the Universe, the fluctuations of the field have to propagate superluminally at some stage. We argue that this implies that successful k-essence models violate causality. It is not possible to define a time ordered succession of events in a Lorentz invariant way. Therefore, k-essence cannot arise as a low energy effective field theory of a causal, consistent high energy theory.

On the Origin of the Double-cell Meridional Circulation in the Solar Convection Zone

NASA Astrophysics Data System (ADS)

Pipin, V. V.; Kosovichev, A. G.

2018-02-01

Recent advances in helioseismology, numerical simulations and mean-field theory of solar differential rotation have shown that the meridional circulation pattern may consist of two or more cells in each hemisphere of the convection zone. According to the mean-field theory the double-cell circulation pattern can result from the sign inversion of a nondiffusive part of the radial angular momentum transport (the so-called Λ-effect) in the lower part of the solar convection zone. Here, we show that this phenomenon can result from the radial inhomogeneity of the Coriolis number, which depends on the convective turnover time. We demonstrate that if this effect is taken into account then the solar-like differential rotation and the double-cell meridional circulation are both reproduced by the mean-field model. The model is consistent with the distribution of turbulent velocity correlations determined from observations by tracing motions of sunspots and large-scale magnetic fields, indicating that these tracers are rooted just below the shear layer.

Direct Simulation of Extinction in a Slab of Spherical Particles

NASA Technical Reports Server (NTRS)

Mackowski, D.W.; Mishchenko, Michael I.

2013-01-01

The exact multiple sphere superposition method is used to calculate the coherent and incoherent contributions to the ensemble-averaged electric field amplitude and Poynting vector in systems of randomly positioned nonabsorbing spherical particles. The target systems consist of cylindrical volumes, with radius several times larger than length, containing spheres with positional configurations generated by a Monte Carlo sampling method. Spatially dependent values for coherent electric field amplitude, coherent energy flux, and diffuse energy flux, are calculated by averaging of exact local field and flux values over multiple configurations and over spatially independent directions for fixed target geometry, sphere properties, and sphere volume fraction. Our results reveal exponential attenuation of the coherent field and the coherent energy flux inside the particulate layer and thereby further corroborate the general methodology of the microphysical radiative transfer theory. An effective medium model based on plane wave transmission and reflection by a plane layer is used to model the dependence of the coherent electric field on particle packing density. The effective attenuation coefficient of the random medium, computed from the direct simulations, is found to agree closely with effective medium theories and with measurements. In addition, the simulation results reveal the presence of a counter-propagating component to the coherent field, which arises due to the internal reflection of the main coherent field component by the target boundary. The characteristics of the diffuse flux are compared to, and found to be consistent with, a model based on the diffusion approximation of the radiative transfer theory.

Dressing the post-Newtonian two-body problem and classical effective field theory

NASA Astrophysics Data System (ADS)

Kol, Barak; Smolkin, Michael

2009-12-01

We apply a dressed perturbation theory to better organize and economize the computation of high orders of the 2-body effective action of an inspiralling post-Newtonian (PN) gravitating binary. We use the effective field theory approach with the nonrelativistic field decomposition (NRG fields). For that purpose we develop quite generally the dressing theory of a nonlinear classical field theory coupled to pointlike sources. We introduce dressed charges and propagators, but unlike the quantum theory there are no dressed bulk vertices. The dressed quantities are found to obey recursive integral equations which succinctly encode parts of the diagrammatic expansion, and are the classical version of the Schwinger-Dyson equations. Actually, the classical equations are somewhat stronger since they involve only finitely many quantities, unlike the quantum theory. Classical diagrams are shown to factorize exactly when they contain nonlinear worldline vertices, and we classify all the possible topologies of irreducible diagrams for low loop numbers. We apply the dressing program to our post-Newtonian case of interest. The dressed charges consist of the dressed energy-momentum tensor after a nonrelativistic decomposition, and we compute all dressed charges (in the harmonic gauge) appearing up to 2PN in the 2-body effective action (and more). We determine the irreducible skeleton diagrams up to 3PN and we employ the dressed charges to compute several terms beyond 2PN.

Coherent magnon optics in a ferromagnetic spinor Bose-Einstein condensate.

PubMed

Marti, G Edward; MacRae, Andrew; Olf, Ryan; Lourette, Sean; Fang, Fang; Stamper-Kurn, Dan M

2014-10-10

We measure the dispersion relation, gap, and magnetic moment of a magnon in the ferromagnetic F = 1 spinor Bose-Einstein condensate of (87)Rb. From the dispersion relation we measure an average effective mass 1.033(2)(stat)(10)(sys) times the atomic mass, as determined by interfering standing and running coherent magnon waves within the dense and trapped condensed gas. The measured mass is higher than theoretical predictions of mean-field and beyond-mean-field Beliaev theory for a bulk spinor Bose gas with s-wave contact interactions. We observe a magnon energy gap of h × 2.5(1)(stat)(2)(sys) Hz, which is consistent with the predicted effect of magnetic dipole-dipole interactions. These dipolar interactions may also account for the high magnon mass. The effective magnetic moment of -1.04(2)(stat)(8)(sys) times the atomic magnetic moment is consistent with mean-field theory.

Self-consistent field theory of polymer-ionic molecule complexation.

PubMed

Nakamura, Issei; Shi, An-Chang

2010-05-21

A self-consistent field theory is developed for polymers that are capable of binding small ionic molecules (adsorbates). The polymer-ionic molecule association is described by Ising-like binding variables, C(i) ((a))(kDelta)(=0 or 1), whose average determines the number of adsorbed molecules, n(BI). Polymer gelation can occur through polymer-ionic molecule complexation in our model. For polymer-polymer cross-links through the ionic molecules, three types of solutions for n(BI) are obtained, depending on the equilibrium constant of single-ion binding. Spinodal lines calculated from the mean-field free energy exhibit closed-loop regions where the homogeneous phase becomes unstable. This phase instability is driven by the excluded-volume interaction due to the single occupancy of ion-binding sites on the polymers. Moreover, sol-gel transitions are examined using a critical degree of conversion. A gel phase is induced when the concentration of adsorbates is increased. At a higher concentration of the adsorbates, however, a re-entrance from a gel phase into a sol phase arises from the correlation between unoccupied and occupied ion-binding sites. The theory is applied to a model system, poly(vinyl alcohol) and borate ion in aqueous solution with sodium chloride. Good agreement between theory and experiment is obtained.

Self-consistent field theory of tethered polymers: one dimensional, three dimensional, strong stretching theories and the effects of excluded-volume-only interactions.

PubMed

Suo, Tongchuan; Whitmore, Mark D

2014-11-28

We examine end-tethered polymers in good solvents, using one- and three-dimensional self-consistent field theory, and strong stretching theories. We also discuss different tethering scenarios, namely, mobile tethers, fixed but random ones, and fixed but ordered ones, and the effects and important limitations of including only binary interactions (excluded volume terms). We find that there is a "mushroom" regime in which the layer thickness is independent of the tethering density, σ, for systems with ordered tethers, but we argue that there is no such plateau for mobile or disordered anchors, nor is there one in the 1D theory. In the other limit of brushes, all approaches predict that the layer thickness scales linearly with N. However, the σ(1/3) scaling is a result of keeping only excluded volume interactions: when the full potential is included, the dependence is faster and more complicated than σ(1/3). In fact, there does not appear to be any regime in which the layer thickness scales in the combination Nσ(1/3). We also compare the results for two different solvents with each other, and with earlier Θ solvent results.

Low-energy effective field theory below the electroweak scale: operators and matching

NASA Astrophysics Data System (ADS)

Jenkins, Elizabeth E.; Manohar, Aneesh V.; Stoffer, Peter

2018-03-01

The gauge-invariant operators up to dimension six in the low-energy effective field theory below the electroweak scale are classified. There are 70 Hermitian dimension-five and 3631 Hermitian dimension-six operators that conserve baryon and lepton number, as well as Δ B = ±Δ L = ±1, Δ L = ±2, and Δ L = ±4 operators. The matching onto these operators from the Standard Model Effective Field Theory (SMEFT) up to order 1 /Λ2 is computed at tree level. SMEFT imposes constraints on the coefficients of the low-energy effective theory, which can be checked experimentally to determine whether the electroweak gauge symmetry is broken by a single fundamental scalar doublet as in SMEFT. Our results, when combined with the one-loop anomalous dimensions of the low-energy theory and the one-loop anomalous dimensions of SMEFT, allow one to compute the low-energy implications of new physics to leading-log accuracy, and combine them consistently with high-energy LHC constraints.

The Theory of Quantized Fields. II

DOE R&D Accomplishments Database

Schwinger, J.

1951-01-01

The arguments leading to the formulation of the Action Principle for a general field are presented. In association with the complete reduction of all numerical matrices into symmetrical and anti-symmetrical parts, the general field is decomposed into two sets, which are identified with Bose-Einstein and Fermi-Dirac fields. The spin restriction on the two kinds of fields is inferred from the time reflection invariance requirement. The consistency of the theory is verified in terms of a criterion involving the various generators of infinitesimal transformations. Following a discussion of charged fields, the electromagnetic field is introduced to satisfy the postulate of general gauge invariance. As an aspect of the latter, it is recognized that the electromagnetic field and charged fields are not kinematically independent. After a discussion of the field-strength commutation relations, the independent dynamical variable of the electromagnetic field are exhibited in terms of a special gauge.

Classical field configurations and infrared slavery

NASA Astrophysics Data System (ADS)

Swanson, Mark S.

1987-09-01

The problem of determining the energy of two spinor particles interacting through massless-particle exchange is analyzed using the path-integral method. A form for the long-range interaction energy is obtained by analyzing an abridged vertex derived from the parent theory. This abridged vertex describes the radiation of zero-momentum particles by pointlike sources. A path-integral formalism for calculating the energy of the radiation field associated with this abridged vertex is developed and applications are made to determine the energy necessary for adiabatic separation of two sources in quantum electrodynamics and for an SU(2) Yang-Mills theory. The latter theory is shown to be consistent with confinement via infrared slavery.

Study of CP(N-1) theta-vacua by cluster simulation of SU(N) quantum spin ladders.

PubMed

Beard, B B; Pepe, M; Riederer, S; Wiese, U-J

2005-01-14

D-theory provides an alternative lattice regularization of the 2D CP(N-1) quantum field theory in which continuous classical fields emerge from the dimensional reduction of discrete SU(N) quantum spins. Spin ladders consisting of n transversely coupled spin chains lead to a CP(N-1) model with a vacuum angle theta=npi. In D-theory no sign problem arises and an efficient cluster algorithm is used to investigate theta-vacuum effects. At theta=pi there is a first order phase transition with spontaneous breaking of charge conjugation symmetry for CP(N-1) models with N>2.

Light-front field theory in the description of hadrons

NASA Astrophysics Data System (ADS)

Ji, Chueng-Ryong

2017-03-01

We discuss the use of light-front field theory in the descriptions of hadrons. In particular, we clarify the confusion in the prevailing notion of the equivalence between the infinite momentum frame and the light-front dynamics and the advantage of the light-front dynamics in hadron physics. As an application, we present our recent work on the flavor asymmetry in the proton sea and identify the presence of the delta-function contributions associated with end-point singularities arising from the chiral effective theory calculation. The results pave the way for phenomenological applications of pion cloud models that are manifestly consistent with the chiral symmetry properties of QCD.

Multicomponent, Multiphase Thermodynamics of Swelling Porous Media With Electroquasistatics. 1. Macroscale Field Equations

DTIC Science & Technology

2001-08-08

entropy inequality with independent variables consistent with several natural systems and apply the resulting constitutive theory near equi- librium...1973. [3] L. S. Bennethum and J. H. Cushman. Multiscale , hybrid mixture theory for swelling systems - I: Balance laws. International Journal of...Engineering Science, 34(2):125–145, 1996. [4] L. S. Bennethum and J. H. Cushman. Multiscale , hybrid mixture theory for swelling systems - II: Constitutive

Pi Bond Orders and Bond Lengths

ERIC Educational Resources Information Center

Herndon, William C.; Parkanyi, Cyril

1976-01-01

Discusses three methods of correlating bond orders and bond lengths in unsaturated hydrocarbons: the Pauling theory, the Huckel molecular orbital technique, and self-consistent-field techniques. (MLH)

Modern Managers Move Away from the Carrot and Stick Approach.

ERIC Educational Resources Information Center

Stahelski, Anthony J.; Frost, Dean E.

Studies using social power theory constructs (French and Raven, 1959) to analyze compliance attempts in field settings show that the power bases are not consistently related to any subordinate outcome variables such as job performance or attitudes. A study was undertaken to test key hypotheses derived from the social power theory concerning…

Efficient algorithm for multiconfiguration pair-density functional theory with application to the heterolytic dissociation energy of ferrocene

NASA Astrophysics Data System (ADS)

Sand, Andrew M.; Truhlar, Donald G.; Gagliardi, Laura

2017-01-01

The recently developed multiconfiguration pair-density functional theory (MC-PDFT) combines multiconfiguration wave function theory with a density functional that depends on the on-top pair density of an electronic system. In an MC-PDFT calculation, there are two steps: a conventional multiconfiguration self-consistent-field (MCSCF) calculation and a post-MCSCF evaluation of the energy with an on-top density functional. In this work, we present the details of the MC-PDFT algorithm that avoids steeply scaling steps that are present in other post-self-consistent-field multireference calculations of dynamic correlation energy. We demonstrate the favorable scaling by considering systems of H2 molecules with active spaces of several different sizes. We then apply the MC-PDFT method to calculate the heterolytic dissociation enthalpy of ferrocene. We find that MC-PDFT yields results that are at least as accurate as complete active space second-order perturbation theory and are more stable with respect to basis set, but at a fraction of the cost in both time and memory.

Efficient algorithm for multiconfiguration pair-density functional theory with application to the heterolytic dissociation energy of ferrocene.

PubMed

Sand, Andrew M; Truhlar, Donald G; Gagliardi, Laura

2017-01-21

The recently developed multiconfiguration pair-density functional theory (MC-PDFT) combines multiconfiguration wave function theory with a density functional that depends on the on-top pair density of an electronic system. In an MC-PDFT calculation, there are two steps: a conventional multiconfiguration self-consistent-field (MCSCF) calculation and a post-MCSCF evaluation of the energy with an on-top density functional. In this work, we present the details of the MC-PDFT algorithm that avoids steeply scaling steps that are present in other post-self-consistent-field multireference calculations of dynamic correlation energy. We demonstrate the favorable scaling by considering systems of H 2 molecules with active spaces of several different sizes. We then apply the MC-PDFT method to calculate the heterolytic dissociation enthalpy of ferrocene. We find that MC-PDFT yields results that are at least as accurate as complete active space second-order perturbation theory and are more stable with respect to basis set, but at a fraction of the cost in both time and memory.

Brane boxes, anomalies, bending, and tadpoles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leigh, R.G.; Rozali, M.

1999-01-01

Certain classes of chiral four-dimensional gauge theories may be obtained as the world volume theories of D5-branes are suspended between networks of NS5-branes, the so-called brane box models. In this paper, we derive the stringy consistency conditions placed on these models, and show that they are equivalent to an anomaly cancellation of the gauge theories. We derive these conditions in the orbifold theories which are {ital T} dual to the elliptic brane box models. Specifically, we show that the expression for tadpoles for unphysical twisted Ramond-Ramond 4-form fields in the orbifold theory are proportional to the gauge anomalies of themore » brane box theory. Thus string consistency is equivalent to world volume gauge anomaly cancellation. Furthermore, we find additional cylinder amplitudes which give the {beta} functions of the gauge theory. We show how these correspond to bending of the NS-branes in the brane box theory. {copyright} {ital 1998} {ital The American Physical Society}« less

Gravitation theory - Empirical status from solar system experiments.

NASA Technical Reports Server (NTRS)

Nordtvedt, K. L., Jr.

1972-01-01

Review of historical and recent experiments which speak in favor of a post-Newtonian relativistic gravitational theory. The topics include the foundational experiments, metric theories of gravity, experiments designed to differentiate among the metric theories, and tests of Machian concepts of gravity. It is shown that the metric field for any metric theory can be specified by a series of potential terms with several parameters. It is pointed out that empirical results available up to date yield values of the parameters which are consistent with the prediction of Einstein's general relativity.

A Variational Statistical-Field Theory for Polar Liquid Mixtures

NASA Astrophysics Data System (ADS)

Zhuang, Bilin; Wang, Zhen-Gang

Using a variational field-theoretic approach, we derive a molecularly-based theory for polar liquid mixtures. The resulting theory consists of simple algebraic expressions for the free energy of mixing and the dielectric constant as functions of mixture composition. Using only the dielectric constants and the molar volumes of the pure liquid constituents, the theory evaluates the mixture dielectric constants in good agreement with the experimental values for a wide range of liquid mixtures, without using adjustable parameters. In addition, the theory predicts that liquids with similar dielectric constants and molar volumes dissolve well in each other, while sufficient disparity in these parameters result in phase separation. The calculated miscibility map on the dielectric constant-molar volume axes agrees well with known experimental observations for a large number of liquid pairs. Thus the theory provides a quantification for the well-known empirical ``like-dissolves-like'' rule. Bz acknowledges the A-STAR fellowship for the financial support.

Covariant effective action for a Galilean invariant quantum Hall system

DOE PAGES

Geracie, Michael; Prabhu, Kartik; Roberts, Matthew M.

2016-09-16

Here, we construct effective field theories for gapped quantum Hall systems coupled to background geometries with local Galilean invariance i.e. Bargmann spacetimes. Along with an electromagnetic field, these backgrounds include the effects of curved Galilean spacetimes, including torsion and a gravitational field, allowing us to study charge, energy, stress and mass currents within a unified framework. A shift symmetry specific to single constituent theories constraints the effective action to couple to an effective background gauge field and spin connection that is solved for by a self-consistent equation, providing a manifestly covariant extension of Hoyos and Son’s improvement terms to arbitrarymore » order in m.« less

CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Fatigue life of metal treated by magnetic field

NASA Astrophysics Data System (ADS)

Liu, Zhao-Long; Hu, Hai-Yun; Fan, Tian-You; Xing, Xiu-San

2009-03-01

This paper investigates theoretically the influence of magnetization on fatigue life by using non-equilibrium statistical theory of fatigue fracture for metals. The fatigue microcrack growth rate is obtained from the dynamic equation of microcrack growth, where the influence of magnetization is described by an additional term in the potential energy of microcrack. The statistical value of fatigue life of metal under magnetic field is derived, which is expressed in terms of magnetic field and macrophysical as well as microphysical quantities. The fatigue life of AISI 4140 steel in static magnetic field from this theory is basically consistent with the experimental data.

Casimir energy between two parallel plates and projective representation of the Poincaré group

NASA Astrophysics Data System (ADS)

Akita, Takamaru; Matsunaga, Mamoru

2016-06-01

The Casimir effect is a physical manifestation of zero point energy of quantum vacuum. In a relativistic quantum field theory, Poincaré symmetry of the theory seems, at first sight, to imply that nonzero vacuum energy is inconsistent with translational invariance of the vacuum. In the setting of two uniform boundary plates at rest, quantum fields outside the plates have (1 +2 )-dimensional Poincaré symmetry. Taking a massless scalar field as an example, we have examined the consistency between the Poincaré symmetry and the existence of the vacuum energy. We note that, in quantum theory, symmetries are represented projectively in general and show that the Casimir energy is connected to central charges appearing in the algebra of generators in the projective representations.

ASTROPHYSICS. Atom-interferometry constraints on dark energy.

PubMed

Hamilton, P; Jaffe, M; Haslinger, P; Simmons, Q; Müller, H; Khoury, J

2015-08-21

If dark energy, which drives the accelerated expansion of the universe, consists of a light scalar field, it might be detectable as a "fifth force" between normal-matter objects, in potential conflict with precision tests of gravity. Chameleon fields and other theories with screening mechanisms, however, can evade these tests by suppressing the forces in regions of high density, such as the laboratory. Using a cesium matter-wave interferometer near a spherical mass in an ultrahigh-vacuum chamber, we reduced the screening mechanism by probing the field with individual atoms rather than with bulk matter. We thereby constrained a wide class of dark energy theories, including a range of chameleon and other theories that reproduce the observed cosmic acceleration. Copyright © 2015, American Association for the Advancement of Science.

A BRST gauge-fixing procedure for Yang Mills theory on sphere

NASA Astrophysics Data System (ADS)

Banerjee, Rabin; Deguchi, Shinichi

2006-01-01

A gauge-fixing procedure for the Yang-Mills theory on an n-dimensional sphere (or a hypersphere) is discussed in a systematic manner. We claim that Adler's gauge-fixing condition used in massless Euclidean QED on a hypersphere is not conventional because of the presence of an extra free index, and hence is unfavorable for the gauge-fixing procedure based on the BRST invariance principle (or simply BRST gauge-fixing procedure). Choosing a suitable gauge condition, which is proved to be equivalent to a generalization of Adler's condition, we apply the BRST gauge-fixing procedure to the Yang-Mills theory on a hypersphere to obtain consistent results. Field equations for the Yang-Mills field and associated fields are derived in manifestly O (n + 1) covariant or invariant forms. In the large radius limit, these equations reproduce the corresponding field equations defined on the n-dimensional flat space.

Modeling elasto-viscoplasticity in a consistent phase field framework

DOE PAGES

Cheng, Tian -Le; Wen, You -Hai; Hawk, Jeffrey A.

2017-05-19

Existing continuum level phase field plasticity theories seek to solve plastic strain by minimizing the shear strain energy. However, rigorously speaking, for thermodynamic consistency it is required to minimize the total strain energy unless there is proof that hydrostatic strain energy is independent of plastic strain which is unfortunately absent. In this work, we extend the phase-field microelasticity theory of Khachaturyan et al. by minimizing the total elastic energy with constraint of incompressibility of plastic strain. We show that the flow rules derived from the Ginzburg-Landau type kinetic equation can be in line with Odqvist's law for viscoplasticity and Prandtl-Reussmore » theory. Free surfaces (external surfaces or internal cracks/voids) are treated in the model. Deformation caused by a misfitting spherical precipitate in an elasto-plastic matrix is studied by large-scale three-dimensional simulations in four different regimes in terms of the matrix: (a) elasto-perfectly-plastic, (b) elastoplastic with linear hardening, (c) elastoplastic with power-law hardening, and (d) elasto-perfectly-plastic with a free surface. The results are compared with analytical/numerical solutions of Lee et al. for (a-c) and analytical solution derived in this work for (d). Additionally, the J integral of a fixed crack is calculated in the phase-field model and discussed in the context of fracture mechanics.« less

Modeling elasto-viscoplasticity in a consistent phase field framework

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, Tian -Le; Wen, You -Hai; Hawk, Jeffrey A.

Existing continuum level phase field plasticity theories seek to solve plastic strain by minimizing the shear strain energy. However, rigorously speaking, for thermodynamic consistency it is required to minimize the total strain energy unless there is proof that hydrostatic strain energy is independent of plastic strain which is unfortunately absent. In this work, we extend the phase-field microelasticity theory of Khachaturyan et al. by minimizing the total elastic energy with constraint of incompressibility of plastic strain. We show that the flow rules derived from the Ginzburg-Landau type kinetic equation can be in line with Odqvist's law for viscoplasticity and Prandtl-Reussmore » theory. Free surfaces (external surfaces or internal cracks/voids) are treated in the model. Deformation caused by a misfitting spherical precipitate in an elasto-plastic matrix is studied by large-scale three-dimensional simulations in four different regimes in terms of the matrix: (a) elasto-perfectly-plastic, (b) elastoplastic with linear hardening, (c) elastoplastic with power-law hardening, and (d) elasto-perfectly-plastic with a free surface. The results are compared with analytical/numerical solutions of Lee et al. for (a-c) and analytical solution derived in this work for (d). Additionally, the J integral of a fixed crack is calculated in the phase-field model and discussed in the context of fracture mechanics.« less

Tackling non-linearities with the effective field theory of dark energy and modified gravity

NASA Astrophysics Data System (ADS)

Frusciante, Noemi; Papadomanolakis, Georgios

2017-12-01

We present the extension of the effective field theory framework to the mildly non-linear scales. The effective field theory approach has been successfully applied to the late time cosmic acceleration phenomenon and it has been shown to be a powerful method to obtain predictions about cosmological observables on linear scales. However, mildly non-linear scales need to be consistently considered when testing gravity theories because a large part of the data comes from those scales. Thus, non-linear corrections to predictions on observables coming from the linear analysis can help in discriminating among different gravity theories. We proceed firstly by identifying the necessary operators which need to be included in the effective field theory Lagrangian in order to go beyond the linear order in perturbations and then we construct the corresponding non-linear action. Moreover, we present the complete recipe to map any single field dark energy and modified gravity models into the non-linear effective field theory framework by considering a general action in the Arnowitt-Deser-Misner formalism. In order to illustrate this recipe we proceed to map the beyond-Horndeski theory and low-energy Hořava gravity into the effective field theory formalism. As a final step we derived the 4th order action in term of the curvature perturbation. This allowed us to identify the non-linear contributions coming from the linear order perturbations which at the next order act like source terms. Moreover, we confirm that the stability requirements, ensuring the positivity of the kinetic term and the speed of propagation for scalar mode, are automatically satisfied once the viability of the theory is demanded at linear level. The approach we present here will allow to construct, in a model independent way, all the relevant predictions on observables at mildly non-linear scales.

Classical BV Theories on Manifolds with Boundary

NASA Astrophysics Data System (ADS)

Cattaneo, Alberto S.; Mnev, Pavel; Reshetikhin, Nicolai

2014-12-01

In this paper we extend the classical BV framework to gauge theories on spacetime manifolds with boundary. In particular, we connect the BV construction in the bulk with the BFV construction on the boundary and we develop its extension to strata of higher codimension in the case of manifolds with corners. We present several examples including electrodynamics, Yang-Mills theory and topological field theories coming from the AKSZ construction, in particular, the Chern-Simons theory, the BF theory, and the Poisson sigma model. This paper is the first step towards developing the perturbative quantization of such theories on manifolds with boundary in a way consistent with gluing.

Examining the impact of harmonic correlation on vibrational frequencies calculated in localized coordinates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hanson-Heine, Magnus W. D., E-mail: magnus.hansonheine@nottingham.ac.uk

Carefully choosing a set of optimized coordinates for performing vibrational frequency calculations can significantly reduce the anharmonic correlation energy from the self-consistent field treatment of molecular vibrations. However, moving away from normal coordinates also introduces an additional source of correlation energy arising from mode-coupling at the harmonic level. The impact of this new component of the vibrational energy is examined for a range of molecules, and a method is proposed for correcting the resulting self-consistent field frequencies by adding the full coupling energy from connected pairs of harmonic and pseudoharmonic modes, termed vibrational self-consistent field (harmonic correlation). This approach ismore » found to lift the vibrational degeneracies arising from coordinate optimization and provides better agreement with experimental and benchmark frequencies than uncorrected vibrational self-consistent field theory without relying on traditional correlated methods.« less

Neutrality and evolvability of designed protein sequences

NASA Astrophysics Data System (ADS)

Bhattacherjee, Arnab; Biswas, Parbati

2010-07-01

The effect of foldability on protein’s evolvability is analyzed by a two-prong approach consisting of a self-consistent mean-field theory and Monte Carlo simulations. Theory and simulation models representing protein sequences with binary patterning of amino acid residues compatible with a particular foldability criteria are used. This generalized foldability criterion is derived using the high temperature cumulant expansion approximating the free energy of folding. The effect of cumulative point mutations on these designed proteins is studied under neutral condition. The robustness, protein’s ability to tolerate random point mutations is determined with a selective pressure of stability (ΔΔG) for the theory designed sequences, which are found to be more robust than that of Monte Carlo and mean-field-biased Monte Carlo generated sequences. The results show that this foldability criterion selects viable protein sequences more effectively compared to the Monte Carlo method, which has a marked effect on how the selective pressure shapes the evolutionary sequence space. These observations may impact de novo sequence design and its applications in protein engineering.

Anharmonic frequencies of CX2Y2 (X, Y = O, N, F, H, D) isomers and related systems obtained from vibrational multiconfiguration self-consistent field theory.

PubMed

Pfeiffer, Florian; Rauhut, Guntram

2011-10-13

Accurate anharmonic frequencies are provided for molecules of current research, i.e., diazirines, diazomethane, the corresponding fluorinated and deuterated compounds, their dioxygen analogs, and others. Vibrational-state energies were obtained from state-specific vibrational multiconfiguration self-consistent field theory (VMCSCF) based on multilevel potential energy surfaces (PES) generated from explicitly correlated coupled cluster, CCSD(T)-F12a, and double-hybrid density functional calculations, B2PLYP. To accelerate the vibrational structure calculations, a configuration selection scheme as well as a polynomial representation of the PES have been exploited. Because experimental data are scarce for these systems, many calculated frequencies of this study are predictions and may guide experiments to come.

Learning "A La Carte": A Theory-Based Tool for Maximizing Student Engagement

ERIC Educational Resources Information Center

Sibold, Jeremy

2016-01-01

It is well-established that motivation is a critical component of one's best performance of a task. A primary model in the field of motivation is the self-determination theory (SDT). The three pillars of SDT include competency, autonomy, and relatedness; when supported these have been shown to improve the quality, consistency, and persistence of…

Continuous Time in Consistent Histories

NASA Astrophysics Data System (ADS)

Savvidou, Konstantina

1999-12-01

We discuss the case of histories labelled by a continuous time parameter in the History Projection Operator consistent-histories quantum theory. We describe how the appropriate representation of the history algebra may be chosen by requiring the existence of projection operators that represent propositions about time averages of the energy. We define the action operator for the consistent histories formalism, as the quantum analogue of the classical action functional, for the simple harmonic oscillator case. We show that the action operator is the generator of two types of time transformations that may be related to the two laws of time-evolution of the standard quantum theory: the `state-vector reduction' and the unitary time-evolution. We construct the corresponding classical histories and demonstrate the relevance with the quantum histories; we demonstrate how the requirement of the temporal logic structure of the theory is sufficient for the definition of classical histories. Furthermore, we show the relation of the action operator to the decoherence functional which describes the dynamics of the system. Finally, the discussion is extended to give a preliminary account of quantum field theory in this approach to the consistent histories formalism.

Adapting Poisson-Boltzmann to the self-consistent mean field theory: Application to protein side-chain modeling

NASA Astrophysics Data System (ADS)

Koehl, Patrice; Orland, Henri; Delarue, Marc

2011-08-01

We present an extension of the self-consistent mean field theory for protein side-chain modeling in which solvation effects are included based on the Poisson-Boltzmann (PB) theory. In this approach, the protein is represented with multiple copies of its side chains. Each copy is assigned a weight that is refined iteratively based on the mean field energy generated by the rest of the protein, until self-consistency is reached. At each cycle, the variational free energy of the multi-copy system is computed; this free energy includes the internal energy of the protein that accounts for vdW and electrostatics interactions and a solvation free energy term that is computed using the PB equation. The method converges in only a few cycles and takes only minutes of central processing unit time on a commodity personal computer. The predicted conformation of each residue is then set to be its copy with the highest weight after convergence. We have tested this method on a database of hundred highly refined NMR structures to circumvent the problems of crystal packing inherent to x-ray structures. The use of the PB-derived solvation free energy significantly improves prediction accuracy for surface side chains. For example, the prediction accuracies for χ1 for surface cysteine, serine, and threonine residues improve from 68%, 35%, and 43% to 80%, 53%, and 57%, respectively. A comparison with other side-chain prediction algorithms demonstrates that our approach is consistently better in predicting the conformations of exposed side chains.

Derivation of the cut-off length from the quantum quadratic enhancement of a mass in vacuum energy constant Lambda

NASA Astrophysics Data System (ADS)

Fukushima, Kimichika; Sato, Hikaru

2018-04-01

Ultraviolet self-interaction energies in field theory sometimes contain meaningful physical quantities. The self-energies in such as classical electrodynamics are usually subtracted from the rest mass. For the consistent treatment of energies as sources of curvature in the Einstein field equations, this study includes these subtracted self-energies into vacuum energy expressed by the constant Lambda (used in such as Lambda-CDM). In this study, the self-energies in electrodynamics and macroscopic classical Einstein field equations are examined, using the formalisms with the ultraviolet cut-off scheme. One of the cut-off formalisms is the field theory in terms of the step-function-type basis functions, developed by the present authors. The other is a continuum theory of a fundamental particle with the same cut-off length. Based on the effectiveness of the continuum theory with the cut-off length shown in the examination, the dominant self-energy is the quadratic term of the Higgs field at a quantum level (classical self-energies are reduced to logarithmic forms by quantum corrections). The cut-off length is then determined to reproduce today's tiny value of Lambda for vacuum energy. Additionally, a field with nonperiodic vanishing boundary conditions is treated, showing that the field has no zero-point energy.

A multi-species exchange model for fully fluctuating polymer field theory simulations.

PubMed

Düchs, Dominik; Delaney, Kris T; Fredrickson, Glenn H

2014-11-07

Field-theoretic models have been used extensively to study the phase behavior of inhomogeneous polymer melts and solutions, both in self-consistent mean-field calculations and in numerical simulations of the full theory capturing composition fluctuations. The models commonly used can be grouped into two categories, namely, species models and exchange models. Species models involve integrations of functionals that explicitly depend on fields originating both from species density operators and their conjugate chemical potential fields. In contrast, exchange models retain only linear combinations of the chemical potential fields. In the two-component case, development of exchange models has been instrumental in enabling stable complex Langevin (CL) simulations of the full complex-valued theory. No comparable stable CL approach has yet been established for field theories of the species type. Here, we introduce an extension of the exchange model to an arbitrary number of components, namely, the multi-species exchange (MSE) model, which greatly expands the classes of soft material systems that can be accessed by the complex Langevin simulation technique. We demonstrate the stability and accuracy of the MSE-CL sampling approach using numerical simulations of triblock and tetrablock terpolymer melts, and tetrablock quaterpolymer melts. This method should enable studies of a wide range of fluctuation phenomena in multiblock/multi-species polymer blends and composites.

Numerical binary black hole mergers in dynamical Chern-Simons gravity: Scalar field

NASA Astrophysics Data System (ADS)

Okounkova, Maria; Stein, Leo C.; Scheel, Mark A.; Hemberger, Daniel A.

2017-08-01

Testing general relativity in the nonlinear, dynamical, strong-field regime of gravity is one of the major goals of gravitational wave astrophysics. Performing precision tests of general relativity (GR) requires numerical inspiral, merger, and ringdown waveforms for binary black hole (BBH) systems in theories beyond GR. Currently, GR and scalar-tensor gravity are the only theories amenable to numerical simulations. In this article, we present a well-posed perturbation scheme for numerically integrating beyond-GR theories that have a continuous limit to GR. We demonstrate this scheme by simulating BBH mergers in dynamical Chern-Simons gravity (dCS), to linear order in the perturbation parameter. We present mode waveforms and energy fluxes of the dCS pseudoscalar field from our numerical simulations. We find good agreement with analytic predictions at early times, including the absence of pseudoscalar dipole radiation. We discover new phenomenology only accessible through numerics: a burst of dipole radiation during merger. We also quantify the self-consistency of the perturbation scheme. Finally, we estimate bounds that GR-consistent LIGO detections could place on the new dCS length scale, approximately ℓ≲O (10 ) km .

Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations

DOE PAGES

Banerjee, Amartya S.; Suryanarayana, Phanish; Pask, John E.

2016-01-21

Pulay's Direct Inversion in the Iterative Subspace (DIIS) method is one of the most widely used mixing schemes for accelerating the self-consistent solution of electronic structure problems. In this work, we propose a simple generalization of DIIS in which Pulay extrapolation is performed at periodic intervals rather than on every self-consistent field iteration, and linear mixing is performed on all other iterations. Lastly, we demonstrate through numerical tests on a wide variety of materials systems in the framework of density functional theory that the proposed generalization of Pulay's method significantly improves its robustness and efficiency.

Quantifying vorticity in magnetic particle suspensions driven by symmetric and asymmetric multiaxial fields.

DOE PAGES

Martin, James E.; Solis, Kyle Jameson

2015-08-07

We recently reported two methods of inducing vigorous fluid vorticity in magnetic particle suspensions. The first method employs symmetry-breaking rational fields. These fields are comprised of two orthogonal ac components whose frequencies form a rational number and an orthogonal dc field that breaks the symmetry of the biaxial ac field to create the parity required to induce deterministic vorticity. The second method is based on rational triads, which are fields comprised of three orthogonal ac components whose frequency ratios are rational (e.g., 1 : 2 : 3). For each method a symmetry theory has been developed that enables the predictionmore » of the direction and sign of vorticity as functions of the field frequencies and phases. However, this theory has its limitations. It only applies to those particular phase angles that give rise to fields whose Lissajous plots, or principal 2-d projections thereof, have a high degree of symmetry. Nor can symmetry theory provide a measure of the magnitude of the torque density induced by the field. In this paper a functional of the multiaxial magnetic field is proposed that not only is consistent with all of the predictions of the symmetry theories, but also quantifies the torque density. This functional can be applied to fields whose Lissajous plots lack symmetry and can thus be used to predict a variety of effects and trends that cannot be predicted from the symmetry theories. These trends include the dependence of the magnitude of the torque density on the various frequency ratios, the unexpected reversal of flow with increasing dc field amplitude for certain symmetry-breaking fields, and the existence of off-axis vorticity for rational triads, such as 1 : 3 : 5, that do not have the symmetry required to analyze by symmetry theory. As a result, experimental data are given that show the degree to which this functional is successful in predicting observed trends.« less

Mass and angular momentum of black holes in low-energy heterotic string theory

NASA Astrophysics Data System (ADS)

Peng, Jun-Jin

2016-04-01

We investigate conserved charges in the low-energy effective field theory describing heterotic string theory. Starting with a general Lagrangian that consists of a metric, a scalar field, a vector gauge field, together with a two-form potential, we derive off-shell Noether potentials of the Lagrangian and generalize the Abbott-Deser-Tekin (ADT) formalism to the off-shell level by establishing one-to-one correspondence between the ADT potential and the off-shell Noether potential. It is proved that the off-shell generalized ADT formalism is conformally invariant. Then, we apply the formulation to compute mass and angular momentum of the four-dimensional Kerr-Sen black hole and the five-dimensional rotating charged black string in the string frame without a necessity to transform the metrics into the Einstein frame.

Note on tachyon actions in string theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Headrick, Matthew

2009-02-15

A number of spacetime fields in string theory (notably the metric, dilaton, bosonic and type 0 bulk closed-string tachyon, and bosonic open-string tachyon) have the following property: whenever the spacetime field configuration factorizes in an appropriate sense, the matter sector of the world-sheet theory factorizes into a tensor product of two decoupled theories. Since the beta functions for such a product theory necessarily also factorize, this property strongly constrains the form of the spacetime action encoding those beta functions. We show that this constraint alone--without needing actually to compute any of the beta functions--is sufficient to fix the form ofmore » the two-derivative action for the metric-dilaton system, as well as the potential for the bosonic open-string tachyon. We also show that no action consistent with this constraint exists for the closed-string tachyon coupled to the metric and dilaton.« less

Nonadiabatic Dynamics for Electrons at Second-Order: Real-Time TDDFT and OSCF2.

PubMed

Nguyen, Triet S; Parkhill, John

2015-07-14

We develop a new model to simulate nonradiative relaxation and dephasing by combining real-time Hartree-Fock and density functional theory (DFT) with our recent open-systems theory of electronic dynamics. The approach has some key advantages: it has been systematically derived and properly relaxes noninteracting electrons to a Fermi-Dirac distribution. This paper combines the new dissipation theory with an atomistic, all-electron quantum chemistry code and an atom-centered model of the thermal environment. The environment is represented nonempirically and is dependent on molecular structure in a nonlocal way. A production quality, O(N(3)) closed-shell implementation of our theory applicable to realistic molecular systems is presented, including timing information. This scaling implies that the added cost of our nonadiabatic relaxation model, time-dependent open self-consistent field at second order (OSCF2), is computationally inexpensive, relative to adiabatic propagation of real-time time-dependent Hartree-Fock (TDHF) or time-dependent density functional theory (TDDFT). Details of the implementation and numerical algorithm, including factorization and efficiency, are discussed. We demonstrate that OSCF2 approaches the stationary self-consistent field (SCF) ground state when the gap is large relative to k(b)T. The code is used to calculate linear-response spectra including the effects of bath dynamics. Finally, we show how our theory of finite-temperature relaxation can be used to correct ground-state DFT calculations.

Canonical quantization of general relativity in discrete space-times.

PubMed

Gambini, Rodolfo; Pullin, Jorge

2003-01-17

It has long been recognized that lattice gauge theory formulations, when applied to general relativity, conflict with the invariance of the theory under diffeomorphisms. We analyze discrete lattice general relativity and develop a canonical formalism that allows one to treat constrained theories in Lorentzian signature space-times. The presence of the lattice introduces a "dynamical gauge" fixing that makes the quantization of the theories conceptually clear, albeit computationally involved. The problem of a consistent algebra of constraints is automatically solved in our approach. The approach works successfully in other field theories as well, including topological theories. A simple cosmological application exhibits quantum elimination of the singularity at the big bang.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhatia, Harsh

This dissertation presents research on addressing some of the contemporary challenges in the analysis of vector fields—an important type of scientific data useful for representing a multitude of physical phenomena, such as wind flow and ocean currents. In particular, new theories and computational frameworks to enable consistent feature extraction from vector fields are presented. One of the most fundamental challenges in the analysis of vector fields is that their features are defined with respect to reference frames. Unfortunately, there is no single “correct” reference frame for analysis, and an unsuitable frame may cause features of interest to remain undetected, thusmore » creating serious physical consequences. This work develops new reference frames that enable extraction of localized features that other techniques and frames fail to detect. As a result, these reference frames objectify the notion of “correctness” of features for certain goals by revealing the phenomena of importance from the underlying data. An important consequence of using these local frames is that the analysis of unsteady (time-varying) vector fields can be reduced to the analysis of sequences of steady (timeindependent) vector fields, which can be performed using simpler and scalable techniques that allow better data management by accessing the data on a per-time-step basis. Nevertheless, the state-of-the-art analysis of steady vector fields is not robust, as most techniques are numerical in nature. The residing numerical errors can violate consistency with the underlying theory by breaching important fundamental laws, which may lead to serious physical consequences. This dissertation considers consistency as the most fundamental characteristic of computational analysis that must always be preserved, and presents a new discrete theory that uses combinatorial representations and algorithms to provide consistency guarantees during vector field analysis along with the uncertainty visualization of unavoidable discretization errors. Together, the two main contributions of this dissertation address two important concerns regarding feature extraction from scientific data: correctness and precision. The work presented here also opens new avenues for further research by exploring more-general reference frames and more-sophisticated domain discretizations.« less

Derivation of force field parameters for SnO2-H2O surface systems from plane-wave density functional theory calculations.

PubMed

Bandura, A V; Sofo, J O; Kubicki, J D

2006-04-27

Plane-wave density functional theory (DFT-PW) calculations were performed on bulk SnO2 (cassiterite) and the (100), (110), (001), and (101) surfaces with and without H2O present. A classical interatomic force field has been developed to describe bulk SnO2 and SnO2-H2O surface interactions. Periodic density functional theory calculations using the program VASP (Kresse et al., 1996) and molecular cluster calculations using Gaussian 03 (Frisch et al., 2003) were used to derive the parametrization of the force field. The program GULP (Gale, 1997) was used to optimize parameters to reproduce experimental and ab initio results. The experimental crystal structure and elastic constants of SnO2 are reproduced reasonably well with the force field. Furthermore, surface atom relaxations and structures of adsorbed H2O molecules agree well between the ab initio and force field predictions. H2O addition above that required to form a monolayer results in consistent structures between the DFT-PW and classical force field results as well.

An Innovative Program in Social Work Education

ERIC Educational Resources Information Center

Peleg-Oren, Neta; Aran, Ofra; Even-Zahav, Ronit; Macgowan, Mark J.; Stanger, Varda

2007-01-01

This paper is a report of an innovative program in social work education to enrich field supervisors and students with the latest theories and practices related to social work practice in health care settings. This program consists of a study day organized jointly by academic faculty, field supervisors, and students, conducted once a year between…

Advanced Concepts Theory Annual Report 1984.

DTIC Science & Technology

1985-06-26

SUBJECT TERMS (Continue on reverse if necessary and identify by block number) - FIELD GROUP SUB-GROUP Radiation Hydrodynamics Plasma Miixtures 1 ABSTRACT...an imploding annular plasma, accelerated radially by the current-driven, azimuthal magnetic field to velocities near 10 7 cm/sec. The on-axis...state consistent 4itn the other level populations, atomic rates, and the ambient r ad iation field . To perform this calculation the critical elements

Radiative corrections to the quark masses in the ferromagnetic Ising and Potts field theories

NASA Astrophysics Data System (ADS)

Rutkevich, Sergei B.

2017-10-01

We consider the Ising Field Theory (IFT), and the 3-state Potts Field Theory (PFT), which describe the scaling limits of the two-dimensional lattice q-state Potts model with q = 2, and q = 3, respectively. At zero magnetic field h = 0, both field theories are integrable away from the critical point, have q degenerate vacua in the ferromagnetic phase, and q (q - 1) particles of the same mass - the kinks interpolating between two different vacua. Application of a weak magnetic field induces confinement of kinks into bound states - the "mesons" (for q = 2 , 3) consisting predominantly of two kinks, and "baryons" (for q = 3), which are essentially the three-kink excitations. The kinks in the confinement regime are also called "the quarks". We review and refine the Form Factor Perturbation Theory (FFPT), adapting it to the analysis of the confinement problem in the limit of small h, and apply it to calculate the corrections to the kink (quark) masses induced by the multi-kink fluctuations caused by the weak magnetic field. It is shown that the subleading third-order ∼h3 correction to the kink mass vanishes in the IFT. The leading second order ∼h2 correction to the kink mass in the 3-state PFT is estimated by truncation the infinite form factor expansion at the first term representing contribution of the two-kink fluctuations into the kink self-energy.

Comparison of experimental and theoretical reaction rail currents, rail voltages, and airgap fields for the linear induction motor research vehicle

NASA Technical Reports Server (NTRS)

Elliott, D. G.

1977-01-01

Measurements of reaction rail currents, reaction rail voltages, and airgap magnetic fields in tests of the Linear Induction Motor Research Vehicle (LIMRV) were compared with theoretical calculations from the mesh/matrix theory. It was found that the rail currents and magnetic fields predicted by the theory are within 20 percent of the measured currents and fields at most motor locations in most of the runs, but differ by as much as a factor of two in some cases. The most consistent difference is a higher experimental than theoretical magnetic field near the entrance of the motor and a lower experimental than theoretical magnetic field near the exit. The observed differences between the theoretical and experimental magnetic fields and currents do not account for the differences of as much as 26 percent between the theoretical and experimental thrusts.

Magnetoelectroluminescence of organic heterostructures: Analytical theory and spectrally resolved measurements

NASA Astrophysics Data System (ADS)

Liu, Feilong; Kelley, Megan R.; Crooker, Scott A.; Nie, Wanyi; Mohite, Aditya D.; Ruden, P. Paul; Smith, Darryl L.

2014-12-01

The effect of a magnetic field on the electroluminescence of organic light emitting devices originates from the hyperfine interaction between the electron/hole polarons and the hydrogen nuclei of the host molecules. In this paper, we present an analytical theory of magnetoelectroluminescence for organic semiconductors. To be specific, we focus on bilayer heterostructure devices. In the case we are considering, light generation at the interface of the donor and acceptor layers results from the formation and recombination of exciplexes. The spin physics is described by a stochastic Liouville equation for the electron/hole spin density matrix. By finding the steady-state analytical solution using Bloch-Wangsness-Redfield theory, we explore how the singlet/triplet exciplex ratio is affected by the hyperfine interaction strength and by the external magnetic field. To validate the theory, spectrally resolved electroluminescence experiments on BPhen/m-MTDATA devices are analyzed. With increasing emission wavelength, the width of the magnetic field modulation curve of the electroluminescence increases while its depth decreases. These observations are consistent with the model.

The role and behavior of spin in gravitational physics

NASA Technical Reports Server (NTRS)

Ray, John R.

1987-01-01

A self-consistent method of introducing spin into any Lagrangian based theory of gravitation was developed. The metric variation of the Lagrangian in the theory leads to an improved energy-momentum tensor which represents the source term in the gravitational field equations. The goal of the research is the construction of a theory general enough to be used to investigate spin effects in astrophysical objects and cosmology, and also to serve as a basis for discussion of the theoretical ideas tested by the NASA Gyroscope Experiment (aboard Gravity Probe B). Specific accomplishments in the following areas are summarized: the inclusion of electromagnetism into the variational principle for spinning matter, formulation of a self-consistent theory for the case of a fluid in which particle production processes occur, and the derivation of the Raychaudhuri equation in the case of spinning matter.

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

NASA Astrophysics Data System (ADS)

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex; Niklasson, Anders M. N.; Head-Gordon, Teresa; Skylaris, Chris-Kriton

2017-03-01

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities are treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes—in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory.

PubMed

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex; Niklasson, Anders M N; Head-Gordon, Teresa; Skylaris, Chris-Kriton

2017-03-28

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities are treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes-in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

DOE PAGES

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex; ...

2017-03-28

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities aremore » treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes—in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Furthermore, both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.« less

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities aremore » treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes—in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Furthermore, both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.« less

A periodic table of effective field theories

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheung, Clifford; Kampf, Karol; Novotny, Jiri

We systematically explore the space of scalar effective field theories (EFTs) consistent with a Lorentz invariant and local S-matrix. To do so we define an EFT classification based on four parameters characterizing 1) the number of derivatives per interaction, 2) the soft properties of amplitudes, 3) the leading valency of the interactions, and 4) the spacetime dimension. Carving out the allowed space of EFTs, we prove that exceptional EFTs like the non-linear sigma model, Dirac-Born-Infeld theory, and the special Galileon lie precisely on the boundary of allowed theory space. Using on-shell momentum shifts and recursion relations, we prove that EFTsmore » with arbitrarily soft behavior are forbidden and EFTs with leading valency much greater than the spacetime dimension cannot have enhanced soft behavior. We then enumerate all single scalar EFTs in d < 6 and verify that they correspond to known theories in the literature. Finally, our results suggest that the exceptional theories are the natural EFT analogs of gauge theory and gravity because they are one-parameter theories whose interactions are strictly dictated by properties of the S-matrix.« less

A periodic table of effective field theories

DOE PAGES

Cheung, Clifford; Kampf, Karol; Novotny, Jiri; ...

2017-02-06

We systematically explore the space of scalar effective field theories (EFTs) consistent with a Lorentz invariant and local S-matrix. To do so we define an EFT classification based on four parameters characterizing 1) the number of derivatives per interaction, 2) the soft properties of amplitudes, 3) the leading valency of the interactions, and 4) the spacetime dimension. Carving out the allowed space of EFTs, we prove that exceptional EFTs like the non-linear sigma model, Dirac-Born-Infeld theory, and the special Galileon lie precisely on the boundary of allowed theory space. Using on-shell momentum shifts and recursion relations, we prove that EFTsmore » with arbitrarily soft behavior are forbidden and EFTs with leading valency much greater than the spacetime dimension cannot have enhanced soft behavior. We then enumerate all single scalar EFTs in d < 6 and verify that they correspond to known theories in the literature. Finally, our results suggest that the exceptional theories are the natural EFT analogs of gauge theory and gravity because they are one-parameter theories whose interactions are strictly dictated by properties of the S-matrix.« less

The viability of phantom dark energy: A review

NASA Astrophysics Data System (ADS)

Ludwick, Kevin J.

2017-09-01

In this brief review, we examine the theoretical consistency and viability of phantom dark energy. Almost all data sets from cosmological probes are compatible with the dark energy of the phantom variety (i.e. equation-of-state parameter w < -1) and may even favor evolving dark energy, and since we expect every physical entity to have some kind of field description, we set out to examine the case for phantom dark energy as a field theory. We discuss the many attempts at frameworks that may mitigate and eliminate theoretical pathologies associated with phantom dark energy. We also examine frameworks that provide an apparent measurement w < -1 while avoiding the need for a phantom field theory.

Mean-field theory of differential rotation in density stratified turbulent convection

NASA Astrophysics Data System (ADS)

Rogachevskii, I.

2018-04-01

A mean-field theory of differential rotation in a density stratified turbulent convection has been developed. This theory is based on the combined effects of the turbulent heat flux and anisotropy of turbulent convection on the Reynolds stress. A coupled system of dynamical budget equations consisting in the equations for the Reynolds stress, the entropy fluctuations and the turbulent heat flux has been solved. To close the system of these equations, the spectral approach, which is valid for large Reynolds and Péclet numbers, has been applied. The adopted model of the background turbulent convection takes into account an increase of the turbulence anisotropy and a decrease of the turbulent correlation time with the rotation rate. This theory yields the radial profile of the differential rotation which is in agreement with that for the solar differential rotation.

A new effective correlation mean-field theory for the ferromagnetic spin-1 Blume-Capel model in a transverse crystal field

NASA Astrophysics Data System (ADS)

Roberto Viana, J.; Rodriguez Salmon, Octavio D.; Neto, Minos A.; Carvalho, Diego C.

2018-02-01

A new approximation technique is developed so as to study the quantum ferromagnetic spin-1 Blume-Capel model in the presence of a transverse crystal field in the square lattice. Our proposal consists of approaching the spin system by considering islands of finite clusters whose frontiers are surrounded by noninteracting spins that are treated by the effective-field theory. The resulting phase diagram is qualitatively correct, in contrast to most effective-field treatments, in which the first-order line exhibits spurious behavior by not being perpendicular to the anisotropy axis at low-temperatures. The effect of the transverse anisotropy is also verified by the presence of quantum phase transitions. The possibility of using larger sizes constitutes an advantage to other approaches where the implementation of larger sizes is computationally costly.

Quantum field theory of interacting dark matter and dark energy: Dark monodromies

DOE PAGES

D’Amico, Guido; Hamill, Teresa; Kaloper, Nemanja

2016-11-28

We discuss how to formulate a quantum field theory of dark energy interacting with dark matter. We show that the proposals based on the assumption that dark matter is made up of heavy particles with masses which are very sensitive to the value of dark energy are strongly constrained. Quintessence-generated long-range forces and radiative stability of the quintessence potential require that such dark matter and dark energy are completely decoupled. However, if dark energy and a fraction of dark matter are very light axions, they can have significant mixings which are radiatively stable and perfectly consistent with quantum field theory.more » Such models can naturally occur in multi-axion realizations of monodromies. The mixings yield interesting signatures which are observable and are within current cosmological limits but could be constrained further by future observations« less

A relational approach to health practices: towards transcending the agency-structure divide.

PubMed

Veenstra, Gerry; Burnett, Patrick John

2014-02-01

Many health scholars find that Pierre Bourdieu's theory of practice leaves too little room for individual agency. We contend that, by virtue of its relational, field-theoretic underpinnings, the idea of leaving room for agency in Bourdieu's theory of practice is misguided. With agency manifested in interactions and social structures consisting of relations built upon relations, the stark distinction between agency and structure inherent to substantialist thinking is undermined, even dissolved, in a relational field-theoretic context. We also contend that, when treated as relationally bound phenomena, Bourdieu's notions of habitus, doxa, capital and field illuminate creative, adaptive and future-looking practices. We conclude by discussing difficulties inherent to implementing a relational theory of practice in health promotion and public health. © 2014 The Authors. Sociology of Health & Illness © 2014 Foundation for the Sociology of Health & Illness/John Wiley & Sons Ltd.

Quantum field theory of interacting dark matter and dark energy: Dark monodromies

DOE Office of Scientific and Technical Information (OSTI.GOV)

D’Amico, Guido; Hamill, Teresa; Kaloper, Nemanja

We discuss how to formulate a quantum field theory of dark energy interacting with dark matter. We show that the proposals based on the assumption that dark matter is made up of heavy particles with masses which are very sensitive to the value of dark energy are strongly constrained. Quintessence-generated long-range forces and radiative stability of the quintessence potential require that such dark matter and dark energy are completely decoupled. However, if dark energy and a fraction of dark matter are very light axions, they can have significant mixings which are radiatively stable and perfectly consistent with quantum field theory.more » Such models can naturally occur in multi-axion realizations of monodromies. The mixings yield interesting signatures which are observable and are within current cosmological limits but could be constrained further by future observations« less

Extended inflation from higher dimensional theories

NASA Technical Reports Server (NTRS)

Holman, Richard; Kolb, Edward W.; Vadas, Sharon L.; Wang, Yun

1990-01-01

The possibility is considered that higher dimensional theories may, upon reduction to four dimensions, allow extended inflation to occur. Two separate models are analayzed. One is a very simple toy model consisting of higher dimensional gravity coupled to a scalar field whose potential allows for a first-order phase transition. The other is a more sophisticated model incorporating the effects of non-trivial field configurations (monopole, Casimir, and fermion bilinear condensate effects) that yield a non-trivial potential for the radius of the internal space. It was found that extended inflation does not occur in these models. It was also found that the bubble nucleation rate in these theories is time dependent unlike the case in the original version of extended inflation.

Persistent superconductor currents in holographic lattices.

PubMed

Iizuka, Norihiro; Ishibashi, Akihiro; Maeda, Kengo

2014-07-04

We consider a persistent superconductor current along the direction with no translational symmetry in a holographic gravity model. Incorporating a lattice structure into the model, we numerically construct novel solutions of hairy charged stationary black branes with momentum or rotation along the latticed direction. The lattice structure prevents the horizon from rotating, and the total momentum is only carried by matter fields outside the black brane horizon. This is consistent with the black hole rigidity theorem, and it suggests that in dual field theory with lattices, superconductor currents are made up of "composite" fields, rather than "fractionalized" degrees of freedom. We also show that our solutions are consistent with the superfluid hydrodynamics.

Semiclassical theory of the self-consistent vibration-rotation fields and its application to the bending-rotation interaction in the H{sub 2}O molecule

DOE Office of Scientific and Technical Information (OSTI.GOV)

Skalozub, A.S.; Tsaune, A.Ya.

1994-12-01

A new approach for analyzing the highly excited vibration-rotation (VR) states of nonrigid molecules is suggested. It is based on the separation of the vibrational and rotational terms in the molecular VR Hamiltonian by introducing periodic auxiliary fields. These fields transfer different interactions within a molecule and are treated in terms of the mean-field approximation. As a result, the solution of the stationary Schroedinger equation with the VR Hamiltonian amounts to a quantization of the Berry phase in a problem of the molecular angular-momentum motion in a certain periodic VR field (rotational problem). The quantization procedure takes into account themore » motion of the collective vibrational variables in the appropriate VR potentials (vibrational problem). The quantization rules, the mean-field configurations of auxiliary interactions, and the solutions to the Schrodinger equations for the vibrational and rotational problems are self-consistently connected with one another. The potentialities of the theory are demonstrated by the bending-rotation interaction modeled by the Bunker-Landsberg potential function in the H{sub 2} molecule. The calculations are compared with both the results of the exact computations and those of other approximate methods. 32 refs., 4 tabs.« less

The Prevalence of Performance Improvement as a Central Topic in the Professional Literature

ERIC Educational Resources Information Center

Guerra-Lopez, Ingrid

2012-01-01

The performance improvement field has evolved from the work of professionals seeking to improve performance in the workplace. Each time the field has evolved, it has done so by consistently expanding its scope and incorporating a broader performance context in line with its systems-theory roots. But just how much has performance improvement…

Nonextensive kinetic theory and H-theorem in general relativity

NASA Astrophysics Data System (ADS)

Santos, A. P.; Silva, R.; Alcaniz, J. S.; Lima, J. A. S.

2017-11-01

The nonextensive kinetic theory for degenerate quantum gases is discussed in the general relativistic framework. By incorporating nonadditive modifications in the collisional term of the relativistic Boltzmann equation and entropy current, it is shown that Tsallis entropic framework satisfies a H-theorem in the presence of gravitational fields. Consistency with the 2nd law of thermodynamics is obtained only whether the entropic q-parameter lies in the interval q ∈ [ 0 , 2 ] . As occurs in the absence of gravitational fields, it is also proved that the local collisional equilibrium is described by the extended Bose-Einstein (Fermi-Dirac) q-distributions.

Global Constraints on Anomalous Triple Gauge Couplings in the Effective Field Theory Approach.

PubMed

Falkowski, Adam; González-Alonso, Martín; Greljo, Admir; Marzocca, David

2016-01-08

We present a combined analysis of LHC Higgs data (signal strengths) together with LEP-2 WW production measurements. To characterize possible deviations from the standard model (SM) predictions, we employ the framework of an effective field theory (EFT) where the SM is extended by higher-dimensional operators suppressed by the mass scale of new physics Λ. The analysis is performed consistently at the order Λ(-2) in the EFT expansion keeping all the relevant operators. While the two data sets suffer from flat directions, together they impose stringent model-independent constraints on the anomalous triple gauge couplings.

Tests of conformal field theory at the Yang-Lee singularity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wydro, Tomasz; McCabe, John F.

2009-12-14

This paper studies the Yang-Lee edge singularity of 2-dimensional (2D) Ising model based on a quantum spin chain and transfer matrix measurements on the cylinder. Based on finite-size scaling, the low-lying excitation spectrum is found at the Yang-Lee edge singularity. Based on transfer matrix techniques, the single structure constant is evaluated at the Yang-Lee edge singularity. The results of both types of measurements are found to be fully consistent with the predictions for the (A{sub 4}, A{sub 1}) minimal conformal field theory, which was previously identified with this critical point.

Quantum gravity model with fundamental spinor fields

NASA Astrophysics Data System (ADS)

Obukhov, Yu. N.; Hehl, F. W.

2014-01-01

We discuss the possibility that gravitational potentials (metric, coframe and connection) may emerge as composite fields from more fundamental spinor constituents. We use the formalism of Poincaré gauge gravity as an appropriate theoretical scheme for the rigorous development of such an approach. We postulate the constitutive relations of an elastic Cosserat type continuum that models spacetime. These generalized Hooke and MacCullagh type laws consistently take into account the translational and Lorentz rotational deformations, respectively. The resulting theory extends the recently proposed Diakonov model. An intriguing feature of our theory is that in the lowest approximation it reproduces Heisenberg's nonlinear spinor model.

Quasiparticle self-consistent GW method for the spectral properties of complex materials.

PubMed

Bruneval, Fabien; Gatti, Matteo

2014-01-01

The GW approximation to the formally exact many-body perturbation theory has been applied successfully to materials for several decades. Since the practical calculations are extremely cumbersome, the GW self-energy is most commonly evaluated using a first-order perturbative approach: This is the so-called G 0 W 0 scheme. However, the G 0 W 0 approximation depends heavily on the mean-field theory that is employed as a basis for the perturbation theory. Recently, a procedure to reach a kind of self-consistency within the GW framework has been proposed. The quasiparticle self-consistent GW (QSGW) approximation retains some positive aspects of a self-consistent approach, but circumvents the intricacies of the complete GW theory, which is inconveniently based on a non-Hermitian and dynamical self-energy. This new scheme allows one to surmount most of the flaws of the usual G 0 W 0 at a moderate calculation cost and at a reasonable implementation burden. In particular, the issues of small band gap semiconductors, of large band gap insulators, and of some transition metal oxides are then cured. The QSGW method broadens the range of materials for which the spectral properties can be predicted with confidence.

Self-Consistent Field Theory of Gaussian Ring Polymers

NASA Astrophysics Data System (ADS)

Kim, Jaeup; Yang, Yong-Biao; Lee, Won Bo

2012-02-01

Ring polymers, being free from chain ends, have fundamental importance in understanding the polymer statics and dynamics which are strongly influenced by the chain end effects. At a glance, their theoretical treatment may not seem particularly difficult, but the absence of chain ends and the topological constraints make the problem non-trivial, which results in limited success in the analytical or semi-analytical formulation of ring polymer theory. Here, I present a self-consistent field theory (SCFT) formalism of Gaussian (topologically unconstrained) ring polymers for the first time. The resulting static property of homogeneous and inhomogeneous ring polymers are compared with the random phase approximation (RPA) results. The critical point for ring homopolymer system is exactly the same as the linear polymer case, χN = 2, since a critical point does not depend on local structures of polymers. The critical point for ring diblock copolymer melts is χN 17.795, which is approximately 1.7 times of that of linear diblock copolymer melts, χN 10.495. The difference is due to the ring structure constraint.

Cosmology from a gauge induced gravity

NASA Astrophysics Data System (ADS)

Falciano, F. T.; Sadovski, G.; Sobreiro, R. F.; Tomaz, A. A.

2017-09-01

The main goal of the present work is to analyze the cosmological scenario of the induced gravity theory developed in previous works. Such a theory consists on a Yang-Mills theory in a four-dimensional Euclidian spacetime with { SO}(m,n) such that m+n=5 and m\\in {0,1,2} as its gauge group. This theory undergoes a dynamical gauge symmetry breaking via an Inönü-Wigner contraction in its infrared sector. As a consequence, the { SO}(m,n) algebra is deformed into a Lorentz algebra with the emergency of the local Lorentz symmetries and the gauge fields being identified with a vierbein and a spin connection. As a result, gravity is described as an effective Einstein-Cartan-like theory with ultraviolet correction terms and a propagating torsion field. We show that the cosmological model associated with this effective theory has three different regimes. In particular, the high curvature regime presents a de Sitter phase which tends towards a Λ CDM model. We argue that { SO}(m,n) induced gravities are promising effective theories to describe the early phase of the universe.

A NOTE ON THE UNIFIED FIRST LAW IN f(R) GRAVITY THEORY

NASA Astrophysics Data System (ADS)

Zhang, Yi; Gong, Yungui; Zhu, Zong-Hong

2012-04-01

Because of the dynamical equivalence between the f(R) gravity and the Brans-Dicke theory, the dynamical equation in the f(R) gravity is suggested to be derived from a view point of thermodynamics here. By a conformal transformation, the Brans-Dicke theory in the Jordan frame could be expressed as a minimal coupling scalar field theory in Einstein frame. Using the entropy-area relation d˜ {S} = d˜ {A}/4 G, the correct Friedmann equations could be gotten in both frames. Furthermore, we also discuss the corresponding generalized Misner-Sharp energies for theoretical consistence.

Towards a realization of the condensed-matter-gravity correspondence in string theory via consistent Abelian truncation of the Aharony-Bergman-Jafferis-Maldacena model.

PubMed

Mohammed, Asadig; Murugan, Jeff; Nastase, Horatiu

2012-11-02

We present an embedding of the three-dimensional relativistic Landau-Ginzburg model for condensed matter systems in an N = 6, U(N) × U(N) Chern-Simons-matter theory [the Aharony-Bergman-Jafferis-Maldacena model] by consistently truncating the latter to an Abelian effective field theory encoding the collective dynamics of O(N) of the O(N(2)) modes. In fact, depending on the vacuum expectation value on one of the Aharony-Bergman-Jafferis-Maldacena scalars, a mass deformation parameter μ and the Chern-Simons level number k, our Abelianization prescription allows us to interpolate between the Abelian Higgs model with its usual multivortex solutions and a Ø(4) theory. We sketch a simple condensed matter model that reproduces all the salient features of the Abelianization. In this context, the Abelianization can be interpreted as giving a dimensional reduction from four dimensions.

Particle-hole symmetry and composite fermions in fractional quantum Hall states

NASA Astrophysics Data System (ADS)

Nguyen, Dung Xuan; Golkar, Siavash; Roberts, Matthew M.; Son, Dam Thanh

2018-05-01

We study fractional quantum Hall states at filling fractions in the Jain sequences using the framework of composite Dirac fermions. Synthesizing previous work, we write an effective field theory consistent with all symmetry requirements, including Galilean invariance and particle-hole symmetry. Employing a Fermi-liquid description, we demonstrate the appearance of the Girvin-Macdonald-Platzman algebra and compute the dispersion relation of neutral excitations and various response functions. Our results satisfy requirements of particle-hole symmetry. We show that while the dispersion relation obtained from the modified random-phase approximation (MRPA) of the Halperin-Lee-Read (HLR) theory is particle-hole symmetric, correlation functions obtained from this scheme are not. The results of the Dirac theory are shown to be consistent with the Haldane bound on the projected structure factor, while those of the MPRA of the HLR theory violate it.

The effective χ parameter in polarizable polymeric systems: One-loop perturbation theory and field-theoretic simulations.

PubMed

Grzetic, Douglas J; Delaney, Kris T; Fredrickson, Glenn H

2018-05-28

We derive the effective Flory-Huggins parameter in polarizable polymeric systems, within a recently introduced polarizable field theory framework. The incorporation of bead polarizabilities in the model self-consistently embeds dielectric response, as well as van der Waals interactions. The latter generate a χ parameter (denoted χ̃) between any two species with polarizability contrast. Using one-loop perturbation theory, we compute corrections to the structure factor Sk and the dielectric function ϵ^(k) for a polarizable binary homopolymer blend in the one-phase region of the phase diagram. The electrostatic corrections to S(k) can be entirely accounted for by a renormalization of the excluded volume parameter B into three van der Waals-corrected parameters B AA , B AB , and B BB , which then determine χ̃. The one-loop theory not only enables the quantitative prediction of χ̃ but also provides useful insight into the dependence of χ̃ on the electrostatic environment (for example, its sensitivity to electrostatic screening). The unapproximated polarizable field theory is amenable to direct simulation via complex Langevin sampling, which we employ here to test the validity of the one-loop results. From simulations of S(k) and ϵ^(k) for a system of polarizable homopolymers, we find that the one-loop theory is best suited to high concentrations, where it performs very well. Finally, we measure χ̃N in simulations of a polarizable diblock copolymer melt and obtain excellent agreement with the one-loop theory. These constitute the first fully fluctuating simulations conducted within the polarizable field theory framework.

The effective χ parameter in polarizable polymeric systems: One-loop perturbation theory and field-theoretic simulations

NASA Astrophysics Data System (ADS)

Grzetic, Douglas J.; Delaney, Kris T.; Fredrickson, Glenn H.

2018-05-01

We derive the effective Flory-Huggins parameter in polarizable polymeric systems, within a recently introduced polarizable field theory framework. The incorporation of bead polarizabilities in the model self-consistently embeds dielectric response, as well as van der Waals interactions. The latter generate a χ parameter (denoted χ ˜ ) between any two species with polarizability contrast. Using one-loop perturbation theory, we compute corrections to the structure factor S (k ) and the dielectric function ɛ ^ (k ) for a polarizable binary homopolymer blend in the one-phase region of the phase diagram. The electrostatic corrections to S(k) can be entirely accounted for by a renormalization of the excluded volume parameter B into three van der Waals-corrected parameters BAA, BAB, and BBB, which then determine χ ˜ . The one-loop theory not only enables the quantitative prediction of χ ˜ but also provides useful insight into the dependence of χ ˜ on the electrostatic environment (for example, its sensitivity to electrostatic screening). The unapproximated polarizable field theory is amenable to direct simulation via complex Langevin sampling, which we employ here to test the validity of the one-loop results. From simulations of S(k) and ɛ ^ (k ) for a system of polarizable homopolymers, we find that the one-loop theory is best suited to high concentrations, where it performs very well. Finally, we measure χ ˜ N in simulations of a polarizable diblock copolymer melt and obtain excellent agreement with the one-loop theory. These constitute the first fully fluctuating simulations conducted within the polarizable field theory framework.

Influence of Chirality in Ordered Block Copolymer Phases

NASA Astrophysics Data System (ADS)

Prasad, Ishan; Grason, Gregory

2015-03-01

Block copolymers are known to assemble into rich spectrum of ordered phases, with many complex phases driven by asymmetry in copolymer architecture. Despite decades of study, the influence of intrinsic chirality on equilibrium mesophase assembly of block copolymers is not well understood and largely unexplored. Self-consistent field theory has played a major role in prediction of physical properties of polymeric systems. Only recently, a polar orientational self-consistent field (oSCF) approach was adopted to model chiral BCP having a thermodynamic preference for cholesteric ordering in chiral segments. We implement oSCF theory for chiral nematic copolymers, where segment orientations are characterized by quadrupolar chiral interactions, and focus our study on the thermodynamic stability of bi-continuous network morphologies, and the transfer of molecular chirality to mesoscale chirality of networks. Unique photonic properties observed in butterfly wings have been attributed to presence of chiral single-gyroid networks, this has made it an attractive target for chiral metamaterial design.

Quantum cluster theory for the polarizable continuum model. I. The CCSD level with analytical first and second derivatives.

PubMed

Cammi, R

2009-10-28

We present a general formulation of the coupled-cluster (CC) theory for a molecular solute described within the framework of the polarizable continuum model (PCM). The PCM-CC theory is derived in its complete form, called PTDE scheme, in which the correlated electronic density is used to have a self-consistent reaction field, and in an approximate form, called PTE scheme, in which the PCM-CC equations are solved assuming the fixed Hartree-Fock solvent reaction field. Explicit forms for the PCM-CC-PTDE equations are derived at the single and double (CCSD) excitation level of the cluster operator. At the same level, explicit equations for the analytical first derivatives of the PCM basic energy functional are presented, and analytical second derivatives are also discussed. The corresponding PCM-CCSD-PTE equations are given as a special case of the full theory.

Holographic reconstruction and renormalization in asymptotically Ricci-flat spacetimes

NASA Astrophysics Data System (ADS)

Caldeira Costa, R. N.

2012-11-01

In this work we elaborate on an extension of the AdS/CFT framework to a sub-class of gravitational theories with vanishing cosmological constant. By building on earlier ideas, we construct a correspondence between Ricci-flat spacetimes admitting asymptotically hyperbolic hypersurfaces and a family of conformal field theories on a codimension two manifold at null infinity. By truncating the gravity theory to the pure gravitational sector, we find the most general spacetime asymptotics, renormalize the gravitational action, reproduce the holographic stress tensors and Ward identities of the family of CFTs and show how the asymptotics is mapped to and reconstructed from conformal field theory data. In even dimensions, the holographic Weyl anomalies identify the bulk time coordinate with the spectrum of central charges with characteristic length the bulk Planck length. Consistency with locality in the bulk time direction requires a notion of locality in this spectrum.

Non relativistic limit of integrable QFT and Lieb-Liniger models

NASA Astrophysics Data System (ADS)

Bastianello, Alvise; De Luca, Andrea; Mussardo, Giuseppe

2016-12-01

In this paper we study a suitable limit of integrable QFT with the aim to identify continuous non-relativistic integrable models with local interactions. This limit amounts to sending to infinity the speed of light c but simultaneously adjusting the coupling constant g of the quantum field theories in such a way to keep finite the energies of the various excitations. The QFT considered here are Toda field theories and the O(N) non-linear sigma model. In both cases the resulting non-relativistic integrable models consist only of Lieb-Liniger models, which are fully decoupled for the Toda theories while symmetrically coupled for the O(N) model. These examples provide explicit evidence of the universality and ubiquity of the Lieb-Liniger models and, at the same time, suggest that these models may exhaust the list of possible non-relativistic integrable theories of bosonic particles with local interactions.

Differential geometry techniques for sets of nonlinear partial differential equations

NASA Technical Reports Server (NTRS)

Estabrook, Frank B.

1990-01-01

An attempt is made to show that the Cartan theory of partial differential equations can be a useful technique for applied mathematics. Techniques for finding consistent subfamilies of solutions that are generically rich and well-posed and for introducing potentials or other usefully consistent auxiliary fields are introduced. An extended sample calculation involving the Korteweg-de Vries equation is given.

A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics

NASA Astrophysics Data System (ADS)

Sun, Hui; Wen, Jiayi; Zhao, Yanxiang; Li, Bo; McCammon, J. Andrew

2015-12-01

Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett. 96, 087802 (2006) and J. Chem. Phys. 124, 084905 (2006)], in capturing multiple dry and wet hydration states, describing the subtle electrostatic effect in hydrophobic interactions, and providing qualitatively good estimates of solvation free energies. Here, we develop a phase-field VISM to the solvation of charged molecules in aqueous solvent to include more flexibility. In this approach, a stable equilibrium molecular system is described by a phase field that takes one constant value in the solute region and a different constant value in the solvent region, and smoothly changes its value on a thin transition layer representing a smeared solute-solvent interface or dielectric boundary. Such a phase field minimizes an effective solvation free-energy functional that consists of the solute-solvent interfacial energy, solute-solvent van der Waals interaction energy, and electrostatic free energy described by the Poisson-Boltzmann theory. We apply our model and methods to the solvation of single ions, two parallel plates, and protein complexes BphC and p53/MDM2 to demonstrate the capability and efficiency of our approach at different levels. With a diffuse dielectric boundary, our new approach can describe the dielectric asymmetry in the solute-solvent interfacial region. Our theory is developed based on rigorous mathematical studies and is also connected to the Lum-Chandler-Weeks theory (1999). We discuss these connections and possible extensions of our theory and methods.

A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.

PubMed

Sun, Hui; Wen, Jiayi; Zhao, Yanxiang; Li, Bo; McCammon, J Andrew

2015-12-28

Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett. 96, 087802 (2006) and J. Chem. Phys. 124, 084905 (2006)], in capturing multiple dry and wet hydration states, describing the subtle electrostatic effect in hydrophobic interactions, and providing qualitatively good estimates of solvation free energies. Here, we develop a phase-field VISM to the solvation of charged molecules in aqueous solvent to include more flexibility. In this approach, a stable equilibrium molecular system is described by a phase field that takes one constant value in the solute region and a different constant value in the solvent region, and smoothly changes its value on a thin transition layer representing a smeared solute-solvent interface or dielectric boundary. Such a phase field minimizes an effective solvation free-energy functional that consists of the solute-solvent interfacial energy, solute-solvent van der Waals interaction energy, and electrostatic free energy described by the Poisson-Boltzmann theory. We apply our model and methods to the solvation of single ions, two parallel plates, and protein complexes BphC and p53/MDM2 to demonstrate the capability and efficiency of our approach at different levels. With a diffuse dielectric boundary, our new approach can describe the dielectric asymmetry in the solute-solvent interfacial region. Our theory is developed based on rigorous mathematical studies and is also connected to the Lum-Chandler-Weeks theory (1999). We discuss these connections and possible extensions of our theory and methods.

A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson–Boltzmann electrostatics

PubMed Central

Sun, Hui; Wen, Jiayi; Zhao, Yanxiang; Li, Bo; McCammon, J. Andrew

2015-01-01

Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett. 96, 087802 (2006) and J. Chem. Phys. 124, 084905 (2006)], in capturing multiple dry and wet hydration states, describing the subtle electrostatic effect in hydrophobic interactions, and providing qualitatively good estimates of solvation free energies. Here, we develop a phase-field VISM to the solvation of charged molecules in aqueous solvent to include more flexibility. In this approach, a stable equilibrium molecular system is described by a phase field that takes one constant value in the solute region and a different constant value in the solvent region, and smoothly changes its value on a thin transition layer representing a smeared solute-solvent interface or dielectric boundary. Such a phase field minimizes an effective solvation free-energy functional that consists of the solute-solvent interfacial energy, solute-solvent van der Waals interaction energy, and electrostatic free energy described by the Poisson–Boltzmann theory. We apply our model and methods to the solvation of single ions, two parallel plates, and protein complexes BphC and p53/MDM2 to demonstrate the capability and efficiency of our approach at different levels. With a diffuse dielectric boundary, our new approach can describe the dielectric asymmetry in the solute-solvent interfacial region. Our theory is developed based on rigorous mathematical studies and is also connected to the Lum–Chandler–Weeks theory (1999). We discuss these connections and possible extensions of our theory and methods. PMID:26723595

Binary Mixture of Perfect Fluid and Dark Energy in Modified Theory of Gravity

NASA Astrophysics Data System (ADS)

Shaikh, A. Y.

2016-07-01

A self consistent system of Plane Symmetric gravitational field and a binary mixture of perfect fluid and dark energy in a modified theory of gravity are considered. The gravitational field plays crucial role in the formation of soliton-like solutions, i.e., solutions with limited total energy, spin, and charge. The perfect fluid is taken to be the one obeying the usual equation of state, i.e., p = γρ with γ∈ [0, 1] whereas, the dark energy is considered to be either the quintessence like equation of state or Chaplygin gas. The exact solutions to the corresponding field equations are obtained for power-law and exponential volumetric expansion. The geometrical and physical parameters for both the models are studied.

Quantum processes: A Whiteheadian interpretation of quantum field theory

NASA Astrophysics Data System (ADS)

Bain, Jonathan

Quantum processes: A Whiteheadian interpretation of quantum field theory is an ambitious and thought-provoking exercise in physics and metaphysics, combining an erudite study of the very complex metaphysics of A.N. Whitehead with a well-informed discussion of contemporary issues in the philosophy of algebraic quantum field theory. Hättich's overall goal is to construct an interpretation of quantum field theory. He does this by translating key concepts in Whitehead's metaphysics into the language of algebraic quantum field theory. In brief, this Hättich-Whitehead (H-W, hereafter) interpretation takes "actual occasions" as the fundamental ontological entities of quantum field theory. An actual occasion is the result of two types of processes: a "transition process" in which a set of initial possibly-possessed properties for the occasion (in the form of "eternal objects") is localized to a space-time region; and a "concrescence process" in which a subset of these initial possibly-possessed properties is selected and actualized to produce the occasion. Essential to these processes is the "underlying activity", which conditions the way in which properties are initially selected and subsequently actualized. In short, under the H-W interpretation of quantum field theory, an initial set of possibly-possessed eternal objects is represented by a Boolean sublattice of the lattice of projection operators determined by a von Neumann algebra R (O) associated with a region O of Minkowski space-time, and the underlying activity is represented by a state on R (O) obtained by conditionalizing off of the vacuum state. The details associated with the H-W interpretation involve imposing constraints on these representations motivated by principles found in Whitehead's metaphysics. These details are spelled out in the three sections of the book. The first section is a summary and critique of Whitehead's metaphysics, the second section introduces the formalism of algebraic quantum field theory, and the third section consists of a translation between the first two sections. This review will concentrate on the first and third sections, with an eye on making explicit the essential characteristics of the H-W interpretation.

Drop Migration and Demixing of Biphasic Aqueous Systems in an Applied Electric Field

NASA Astrophysics Data System (ADS)

Todd, Paul; Raghavarao, Karumanchi S. M. S.

1999-11-01

Applying an electric field to a demixing emulsion of poly(ethylene glycol)(PEG) and dextran (or maltodextrin) in phosphate-buffered aqueous solution shortens the demixing time up to 6 fold. Phosphate ions partition into the dextran-rich phase imparting a small electrical potential between the phases. PEG-rich drops migrate cathodally, and their electrophoretic mobility is directly proportional to their radius and increases with increased ionization of phosphate. An electric field, either parallel or antiparallel to the gravity vector, can enhance demixing. A theory consistent with these observations states that drops move due to external and internal electroosmotic flow (tractor treading). Enhanced demixing in an electric field whose polarity opposes buoyancy is thought to be caused by initial increased drop growth during retardation by the electric field so that the drop becomes more buoyant. However, at infinite internal drop viscosity the theory does not extrapolate to the result for solid colloid particles.

Analysis of surface segregation in polymer mixtures: A combination of mean field and statistical associated fluid theories

NASA Astrophysics Data System (ADS)

Krawczyk, Jaroslaw; Croce, Salvatore; Chakrabarti, Buddhapriya; Tasche, Jos

The surface segregation in polymer mixtures remains a challenging problem for both academic exploration as well as industrial applications. Despite its ubiquity and several theoretical attempts a good agreement between computed and experimentally observed profiles has not yet been achieved. A simple theoretical model proposed in this context by Schmidt and Binder combines Flory-Huggins free energy of mixing with the square gradient theory of wetting of a wall by fluid. While the theory gives us a qualitative understanding of the surface induced segregation and the surface enrichment it lacks the quantitative comparison with the experiment. The statistical associating fluid theory (SAFT) allows us to calculate accurate free energy for a real polymeric materials. In an earlier work we had shown that increasing the bulk modulus of a polymer matrix through which small molecules migrate to the free surface causes reduction in the surface migrant fraction using Schmidt-Binder and self-consistent field theories. In this work we validate this idea by combining mean field theories and SAFT to identify parameter ranges where such an effect should be observable. Department of Molecular Physics, Łódź University of Technology, Żeromskiego 116, 90-924 Łódź, Poland.

Spinning particles, axion radiation, and the classical double copy

NASA Astrophysics Data System (ADS)

Goldberger, Walter D.; Li, Jingping; Prabhu, Siddharth G.

2018-05-01

We extend the perturbative double copy between radiating classical sources in gauge theory and gravity to the case of spinning particles. We construct, to linear order in spins, perturbative radiating solutions to the classical Yang-Mills equations sourced by a set of interacting color charges with chromomagnetic dipole spin couplings. Using a color-to-kinematics replacement rule proposed earlier by one of the authors, these solutions map onto radiation in a theory of interacting particles coupled to massless fields that include the graviton, a scalar (dilaton) ϕ and the Kalb-Ramond axion field Bμ ν. Consistency of the double copy imposes constraints on the parameters of the theory on both the gauge and gravity sides of the correspondence. In particular, the color charges carry a chromomagnetic interaction which, in d =4 , corresponds to a gyromagnetic ratio equal to Dirac's value g =2 . The color-to-kinematics map implies that on the gravity side, the bulk theory of the fields (ϕ ,gμ ν,Bμ ν) has interactions which match those of d -dimensional "string gravity," as is the case both in the BCJ double copy of pure gauge theory scattering amplitudes and the KLT relations between the tree-level S -matrix elements of open and closed string theory.

Notes on Translational and Rotational Properties of Tensor Fields in Relativistic Quantum Mechanics

NASA Astrophysics Data System (ADS)

Dvoeglazov, V. V.

Recently, several discussions on the possible observability of 4-vector fields have been published in literature. Furthermore, several authors recently claimed existence of the helicity=0 fundamental field. We re-examine the theory of antisymmetric tensor fields and 4-vector potentials. We study the massless limits. In fact, a theoretical motivation for this venture is the old papers of Ogievetskiĭ and Polubarinov, Hayashi, and Kalb and Ramond. Ogievetskiĭ and Polubarinov proposed the concept of the notoph, whose helicity properties are complementary to those of the photon. We analyze the quantum field theory with taking into account mass dimensions of the notoph and the photon. It appears to be possible to describe both photon and notoph degrees of freedom on the basis of the modified Bargmann-Wigner formalism for the symmetric second-rank spinor. Next, we proceed to derive equations for the symmetric tensor of the second rank on the basis of the Bargmann-Wigner formalism in a straightforward way. The symmetric multispinor of the fourth rank is used. Due to serious problems with the interpretation of the results obtained on using the standard procedure we generalize it and obtain the spin-2 relativistic equations, which are consistent with the general relativity. Thus, in fact we deduced the gravitational field equations from relativistic quantum mechanics. The relations of this theory with the scalar-tensor theories of gravitation and f(R) are discussed. Particular attention has been paid to the correct definitions of the energy-momentum tensor and other Nöther currents in the electromagnetic theory, the relativistic theory of gravitation, the general relativity, and their generalizations. We estimate possible interactions, fermion-notoph, graviton-notoph, photon-notoph, and we conclude that they can probably be seen in experiments in the next few years.

Self-consistent theory of nanodomain formation on non-polar surfaces of ferroelectrics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morozovska, Anna N.; Obukhovskii, Vyacheslav; Fomichov, Evhen

2016-04-28

We propose a self-consistent theoretical approach capable of describing the features of the anisotropic nanodomain formation induced by a strongly inhomogeneous electric field of a charged scanning probe microscopy tip on nonpolar cuts of ferroelectrics. We obtained that a threshold field, previously regarded as an isotropic parameter, is an anisotropic function that is specified from the polar properties and lattice pinning anisotropy of a given ferroelectric in a self-consistent way. The proposed method for the calculation of the anisotropic threshold field is not material specific, thus the field should be anisotropic in all ferroelectrics with the spontaneous polarization anisotropy alongmore » the main crystallographic directions. The most evident examples are uniaxial ferroelectrics, layered ferroelectric perovskites, and low-symmetry incommensurate ferroelectrics. Obtained results quantitatively describe the differences at several times in the nanodomain length experimentally observed on X and Y cuts of LiNbO3 and can give insight into the anisotropic dynamics of nanoscale polarization reversal in strongly inhomogeneous electric fields.« less

Antisymplectic gauge theories

NASA Astrophysics Data System (ADS)

Batalin, Igor; Marnelius, Robert

1998-02-01

A general field-antifield BV formalism for antisymplectic first class constraints is proposed. It is as general as the corresponding symplectic BFV-BRST formulation and it is demonstrated to be consistent with a previously proposed formalism for antisymplectic second class constraints through a generalized conversion to corresponding first class constraints. Thereby the basic concept of gauge symmetry is extended to apply to quite a new class of gauge theories potentially possible to exist.

Introduction of Women into Work Groups in Traditionally Male Career Fields: Annotated Bibliography.

DTIC Science & Technology

1980-06-01

based on Bass’ theory of interpersonal behavior in organizations, consists of 27 forced-choice interest and opinion items. There are three scales in...Constantinople reviews the theory and measurement of mas- culinity-femininity as a unidimensional bipolar concept. She concludes that evidence...tends toward traditional stereotypes (male-task oriented, female- socioemotional ), but in mixed-sex groups they are less likely to indulge in stereo

(3 + 1)-dimensional topological phases and self-dual quantum geometries encoded on Heegaard surfaces

NASA Astrophysics Data System (ADS)

Dittrich, Bianca

2017-05-01

We apply the recently suggested strategy to lift state spaces and operators for (2 + 1)-dimensional topological quantum field theories to state spaces and operators for a (3 + 1)-dimensional TQFT with defects. We start from the (2 + 1)-dimensional TuraevViro theory and obtain a state space, consistent with the state space expected from the Crane-Yetter model with line defects.

Solvent-Induced Shift of Spectral Lines in Polar–Polarizable Solvents

DOE PAGES

Matyushov, Dmitry V.; Newton, Marshall D.

2017-03-09

Solvent-induced shift of optical transition lines is traditionally described by the Lippert- McRae equation given in terms of the Onsager theory for dipole solvation. It splits the overall shift into the equilibrium solvation by induced dipoles and the reaction field by the permanent dipoles in equilibrium with the chromophore in the ground state. Here we have reconsidered this classical problem from the perspective of microscopic solvation theories. A microscopic solvation functional is derived and continuum solvation is consistently introduced by taking the limit of zero wavevector in the reciprocal-space solvation susceptibility functions. We show that the phenomenological expression for themore » reaction field of permanent dipoles in the Lippert-McRae equation is not consistent with the microscopic theory. The main deficiency of the Lippert- McRae equation equation is the use of additivity of the response by permanent and induced dipoles of the liquid. An alternative closed-form equation for the spectral shift is derived. Its continuum limit allows a new, non-additive functionality for the solvent-induced shift in terms of the high-frequency and static dielectric constants. Finally, the main qualitative outcome of the theory is a significantly weaker dependence of the spectral shift on the polarizability of the solvent than predicted by the Lippert-McRae formula.« less

Solvent-Induced Shift of Spectral Lines in Polar-Polarizable Solvents.

PubMed

Matyushov, Dmitry V; Newton, Marshall D

2017-03-23

Solvent-induced shift of optical transition lines is traditionally described by the Lippert-McRae equation given in terms of the Onsager theory for dipole solvation. It splits the overall shift into the equilibrium solvation by induced dipoles and the reaction field by the permanent dipoles in equilibrium with the chromophore in the ground state. We have reconsidered this classical problem from the perspective of microscopic solvation theories. A microscopic solvation functional is derived, and continuum solvation is consistently introduced by taking the limit of zero wavevector in the reciprocal-space solvation susceptibility functions. We show that the phenomenological expression for the reaction field of permanent dipoles in the Lippert-McRae equation is not consistent with the microscopic theory. The main deficiency of the Lippert-McRae equation is the use of additivity of the response by permanent and induced dipoles of the liquid. An alternative closed-form equation for the spectral shift is derived. Its continuum limit allows a new, nonadditive functionality for the solvent-induced shift in terms of the high-frequency and static dielectric constants. The main qualitative outcome of the theory is a significantly weaker dependence of the spectral shift on the polarizability of the solvent than predicted by the Lippert-McRae formula.

Limit cycles and conformal invariance

NASA Astrophysics Data System (ADS)

Fortin, Jean-François; Grinstein, Benjamín; Stergiou, Andreas

2013-01-01

There is a widely held belief that conformal field theories (CFTs) require zero beta functions. Nevertheless, the work of Jack and Osborn implies that the beta functions are not actually the quantites that decide conformality, but until recently no such behavior had been exhibited. Our recent work has led to the discovery of CFTs with nonzero beta functions, more precisely CFTs that live on recurrent trajectories, e.g., limit cycles, of the beta-function vector field. To demonstrate this we study the S function of Jack and Osborn. We use Weyl consistency conditions to show that it vanishes at fixed points and agrees with the generator Q of limit cycles on them. Moreover, we compute S to third order in perturbation theory, and explicitly verify that it agrees with our previous determinations of Q. A byproduct of our analysis is that, in perturbation theory, unitarity and scale invariance imply conformal invariance in four-dimensional quantum field theories. Finally, we study some properties of these new, "cyclic" CFTs, and point out that the a-theorem still governs the asymptotic behavior of renormalization-group flows.

Magnetoelectroluminescence of organic heterostructures: Analytical theory and spectrally resolved measurements

DOE PAGES

Liu, Feilong; Kelley, Megan R.; Crooker, Scott A.; ...

2014-12-22

The effect of a magnetic field on the electroluminescence of organic light emitting devices originates from the hyperfine interaction between the electron/hole polarons and the hydrogen nuclei of the host molecules. In this paper, we present an analytical theory of magnetoelectroluminescence for organic semiconductors. To be specific, we focus on bilayer heterostructure devices. In the case we are considering, light generation at the interface of the donor and acceptor layers results from the formation and recombination of exciplexes. The spin physics is described by a stochastic Liouville equation for the electron/hole spin density matrix. By finding the steady-state analytical solutionmore » using Bloch-Wangsness-Redfield theory, we explore how the singlet/triplet exciplex ratio is affected by the hyperfine interaction strength and by the external magnetic field. In order to validate the theory, spectrally resolved electroluminescence experiments on BPhen/m-MTDATA devices are analyzed. With increasing emission wavelength, the width of the magnetic field modulation curve of the electroluminescence increases while its depth decreases. Furthermore, these observations are consistent with the model.« less

Quantum theory of multiscale coarse-graining.

PubMed

Han, Yining; Jin, Jaehyeok; Wagner, Jacob W; Voth, Gregory A

2018-03-14

Coarse-grained (CG) models serve as a powerful tool to simulate molecular systems at much longer temporal and spatial scales. Previously, CG models and methods have been built upon classical statistical mechanics. The present paper develops a theory and numerical methodology for coarse-graining in quantum statistical mechanics, by generalizing the multiscale coarse-graining (MS-CG) method to quantum Boltzmann statistics. A rigorous derivation of the sufficient thermodynamic consistency condition is first presented via imaginary time Feynman path integrals. It identifies the optimal choice of CG action functional and effective quantum CG (qCG) force field to generate a quantum MS-CG (qMS-CG) description of the equilibrium system that is consistent with the quantum fine-grained model projected onto the CG variables. A variational principle then provides a class of algorithms for optimally approximating the qMS-CG force fields. Specifically, a variational method based on force matching, which was also adopted in the classical MS-CG theory, is generalized to quantum Boltzmann statistics. The qMS-CG numerical algorithms and practical issues in implementing this variational minimization procedure are also discussed. Then, two numerical examples are presented to demonstrate the method. Finally, as an alternative strategy, a quasi-classical approximation for the thermal density matrix expressed in the CG variables is derived. This approach provides an interesting physical picture for coarse-graining in quantum Boltzmann statistical mechanics in which the consistency with the quantum particle delocalization is obviously manifest, and it opens up an avenue for using path integral centroid-based effective classical force fields in a coarse-graining methodology.

The hidden flat like universe. Starobinsky-like inflation induced by f (T) gravity

NASA Astrophysics Data System (ADS)

El Hanafy, W.; Nashed, G. G. L.

2015-06-01

We study a single-fluid component in a flat like universe (FLU) governed by f( T) gravity theories, where T is the teleparallel torsion scalar. The FLU model, regardless of the value of the spatial curvature k, identifies a special class of f( T) gravity theories. Remarkably, FLU f( T) gravity does not reduce to teleparallel gravity theory. In large Hubble spacetime the theory is consistent with the inflationary universe scenario and respects the conservation principle. The equation of state evolves similarly in all models . We study the case when the torsion tensor consists of a scalar field, which enables to derive a quintessence potential from the obtained f( T) gravity theory. The potential produces Starobinsky-like model naturally without using a conformal transformation, with higher orders continuously interpolate between Starobinsky and quadratic inflation models. The slow-roll analysis shows double solutions, so that for a single value of the scalar tilt (spectral index) the theory can predict double tensor-to-scalar ratios r of E-mode and B-mode polarizations.

Holography for field theory solitons

NASA Astrophysics Data System (ADS)

Domokos, Sophia K.; Royston, Andrew B.

2017-07-01

We extend a well-known D-brane construction of the AdS/dCFT correspondence to non-abelian defects. We focus on the bulk side of the correspondence and show that there exists a regime of parameters in which the low-energy description consists of two approximately decoupled sectors. The two sectors are gravity in the ambient spacetime, and a six-dimensional supersymmetric Yang-Mills theory. The Yang-Mills theory is defined on a rigid AdS4 × S 2 background and admits sixteen supersymmetries. We also consider a one-parameter deformation that gives rise to a family of Yang-Mills theories on asymptotically AdS4 × S 2 spacetimes, which are invariant under eight supersymmetries. With future holographic applications in mind, we analyze the vacuum structure and perturbative spectrum of the Yang-Mills theory on AdS4 × S 2, as well as systems of BPS equations for finite-energy solitons. Finally, we demonstrate that the classical Yang-Mills theory has a consistent truncation on the two-sphere, resulting in maximally supersymmetric Yang-Mills on AdS4.

Phase transition studies of BiMnO3: Mean field theory approximations

NASA Astrophysics Data System (ADS)

Priya K. B, Lakshmi; Natesan, Baskaran

2015-06-01

We studied the phase transition and magneto-electric coupling effect of BiMnO3 by employing mean field theory approximations. To capture the ferromagnetic and ferroelectric transitions of BiMnO3, we construct an extended Ising model in a 2D square lattice, wherein, the magnetic (electric) interactions are described in terms of the direct interactions between the localized magnetic (electric dipole) moments of Mn ions with their nearest neighbors. To evaluate our model, we obtain magnetization, magnetic susceptibility and electric polarization using mean field approximation calculations. Our results reproduce both the ferromagnetic and the ferroelectric transitions, matching very well with the experimental reports. Furthermore, consistent with experimental observations, our mean field results suggest that there is indeed a coupling between the magnetic and electric ordering in BiMnO3.

A Cosserat crystal plasticity and phase field theory for grain boundary migration

NASA Astrophysics Data System (ADS)

Ask, Anna; Forest, Samuel; Appolaire, Benoit; Ammar, Kais; Salman, Oguz Umut

2018-06-01

The microstructure evolution due to thermomechanical treatment of metals can largely be described by viscoplastic deformation, nucleation and grain growth. These processes take place over different length and time scales which present significant challenges when formulating simulation models. In particular, no overall unified field framework exists to model concurrent viscoplastic deformation and recrystallization and grain growth in metal polycrystals. In this work a thermodynamically consistent diffuse interface framework incorporating crystal viscoplasticity and grain boundary migration is elaborated. The Kobayashi-Warren-Carter (KWC) phase field model is extended to incorporate the full mechanical coupling with material and lattice rotations and evolution of dislocation densities. The Cosserat crystal plasticity theory is shown to be the appropriate framework to formulate the coupling between phase field and mechanics with proper distinction between bulk and grain boundary behaviour.

A self-consistency check for unitary propagation of Hawking quanta

NASA Astrophysics Data System (ADS)

Baker, Daniel; Kodwani, Darsh; Pen, Ue-Li; Yang, I.-Sheng

2017-11-01

The black hole information paradox presumes that quantum field theory in curved space-time can provide unitary propagation from a near-horizon mode to an asymptotic Hawking quantum. Instead of invoking conjectural quantum-gravity effects to modify such an assumption, we propose a self-consistency check. We establish an analogy to Feynman’s analysis of a double-slit experiment. Feynman showed that unitary propagation of the interfering particles, namely ignoring the entanglement with the double-slit, becomes an arbitrarily reliable assumption when the screen upon which the interference pattern is projected is infinitely far away. We argue for an analogous self-consistency check for quantum field theory in curved space-time. We apply it to the propagation of Hawking quanta and test whether ignoring the entanglement with the geometry also becomes arbitrarily reliable in the limit of a large black hole. We present curious results to suggest a negative answer, and we discuss how this loss of naive unitarity in QFT might be related to a solution of the paradox based on the soft-hair-memory effect.

Grassmannian Kaluza-Klein theory

NASA Astrophysics Data System (ADS)

Ellicott, P.; Toms, D. J.

1989-07-01

An effort is made to analyze the general structure of Grassmanian Kaluza-Klein theory for a wider class of theories than those considered by Ross (1981) by removing the restrictions he imposed on the commutation relations of basis vectors in the bundle. The coordinates for the extra dimensions are taken to be anticommuting. An attempt is also made to show how this approach relates to the work of Delbourgo et al. (1988), and in particular to see whether or not the metric ansatz in their work is consistent with the higher-dimensional field equations.

Quantization of Space-like States in Lorentz-Violating Theories

NASA Astrophysics Data System (ADS)

Colladay, Don

2018-01-01

Lorentz violation frequently induces modified dispersion relations that can yield space-like states that impede the standard quantization procedures. In certain cases, an extended Hamiltonian formalism can be used to define observer-covariant normalization factors for field expansions and phase space integrals. These factors extend the theory to include non-concordant frames in which there are negative-energy states. This formalism provides a rigorous way to quantize certain theories containing space-like states and allows for the consistent computation of Cherenkov radiation rates in arbitrary frames and avoids singular expressions.

Quantum Theory of Orbital Magnetization and Its Generalization to Interacting Systems

NASA Astrophysics Data System (ADS)

Shi, Junren; Vignale, G.; Xiao, Di; Niu, Qian

2007-11-01

Based on standard perturbation theory, we present a full quantum derivation of the formula for the orbital magnetization in periodic systems. The derivation is generally valid for insulators with or without a Chern number, for metals at zero or finite temperatures, and at weak as well as strong magnetic fields. The formula is shown to be valid in the presence of electron-electron interaction, provided the one-electron energies and wave functions are calculated self-consistently within the framework of the exact current and spin-density functional theory.

Substorm theories: United they stand, divided they fall

NASA Technical Reports Server (NTRS)

Erickson, Gary M.

1995-01-01

Consensus on the timing and mapping of substorm features has permitted a synthesis of substorm models. Within the synthesis model the mechanism for onset of substorm expansion is still unknown. Possible mechanisms are: growth of an ion tearing mode, current disruption by a cross-field current instability, and magnetosphere-ionosphere coupling. While the synthesis model is consistent with overall substorm morphology, including near-Earth onset, none of the onset theories, taken individually, appear to account for substorm expansion onset. A grand synthesis with unification of the underlying onset theories appears necessary.

Frequency-dependent dynamic magnetic properties of the Ising bilayer system consisting of spin-3/2 and spin-5/2 spins

NASA Astrophysics Data System (ADS)

Keskin, Mustafa; Ertaş, Mehmet

2018-04-01

Dynamic magnetic properties of the Ising bilayer system consisting of the mixed (3/2, 5/2) Ising spins with a crystal-field interaction in an oscillating field on a two-layer square lattice is studied by the use of dynamic mean-field theory based on the Glauber-type stochastic. Dynamic phase transition temperatures are obtained and dynamic phase diagrams are presented in three different planes. The frequency dependence of dynamic hysteresis loops is also investigated in detail. We compare the results with some available theoretical and experimental works and observe a quantitatively good agreement with some theoretical and experimental results.

Stability of Horndeski vector-tensor interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiménez, Jose Beltrán; Durrer, Ruth; Heisenberg, Lavinia

2013-10-01

We study the Horndeski vector-tensor theory that leads to second order equations of motion and contains a non-minimally coupled abelian gauge vector field. This theory is remarkably simple and consists of only 2 terms for the vector field, namely: the standard Maxwell kinetic term and a coupling to the dual Riemann tensor. Furthermore, the vector sector respects the U(1) gauge symmetry and the theory contains only one free parameter, M{sup 2}, that controls the strength of the non-minimal coupling. We explore the theory in a de Sitter spacetime and study the presence of instabilities and show that it corresponds tomore » an attractor solution in the presence of the vector field. We also investigate the cosmological evolution and stability of perturbations in a general FLRW spacetime. We find that a sufficient condition for the absence of ghosts is M{sup 2} > 0. Moreover, we study further constraints coming from imposing the absence of Laplacian instabilities. Finally, we study the stability of the theory in static and spherically symmetric backgrounds (in particular, Schwarzschild and Reissner-Nordström-de Sitter). We find that the theory, quite generally, do have ghosts or Laplacian instabilities in regions of spacetime where the non-minimal interaction dominates over the Maxwell term. We also calculate the propagation speed in these spacetimes and show that superluminality is a quite generic phenomenon in this theory.« less

Reduction of parameters in Finite Unified Theories and the MSSM

NASA Astrophysics Data System (ADS)

Heinemeyer, Sven; Mondragón, Myriam; Tracas, Nicholas; Zoupanos, George

2018-02-01

The method of reduction of couplings developed by W. Zimmermann, combined with supersymmetry, can lead to realistic quantum field theories, where the gauge and Yukawa sectors are related. It is the basis to find all-loop Finite Unified Theories, where the β-function vanishes to all-loops in perturbation theory. It can also be applied to the Minimal Supersymmetric Standard Model, leading to a drastic reduction in the number of parameters. Both Finite Unified Theories and the reduced MSSM lead to successful predictions for the masses of the third generation of quarks and the Higgs boson, and also predict a heavy supersymmetric spectrum, consistent with the non-observation of supersymmetry so far.

New two-metric theory of gravity with prior geometry

NASA Technical Reports Server (NTRS)

Lightman, A. P.; Lee, D. L.

1973-01-01

A Lagrangian-based metric theory of gravity is developed with three adjustable constants and two tensor fields, one of which is a nondynamic 'flat space metric' eta. With a suitable cosmological model and a particular choice of the constants, the 'post-Newtonian limit' of the theory agrees, in the current epoch, with that of general relativity theory (GRT); consequently the theory is consistent with current gravitation experiments. Because of the role of eta, the gravitational 'constant' G is time-dependent and gravitational waves travel null geodesics of eta rather than the physical metric g. Gravitational waves possess six degrees of freedom. The general exact static spherically-symmetric solution is a four-parameter family. Future experimental tests of the theory are discussed.

The Unreasonable Success of Magnetosphere-Ionosphere Coupling Theory

NASA Astrophysics Data System (ADS)

Vasyliūnas, V. M.

2002-12-01

The description of plasma dynamics on the basis of self-consistent coupling between magnetosphere and ionosphere, as first systematized in the early 1970's, is arguably one of the most successful theories in magnetospheric physics. It accounts for the pattern of magnetospheric convection at auroral and low latitudes, the distribution of Birkeland currents, and the dependence on changing orientation of the interplanetary magnetic field. It can incorporate assumed effects, e.g. of particle sources or conductance variations, to almost any degree of complexity at moderate cost in additional computing effort (compare the levels of physics included in advanced versions of the Rice Convection Model and of global MHD simulations, respectively). Such success combined with relative simplicity, however, is possible only because the theory has limited itself in significant ways. It treats the system in effect as doubly two-dimensional: height-integrated ionosphere plus field-line-integrated magnetosphere, with the background magnetic field structure treated as known or derived from some empirical model. It assumes that the system is always in slowly evolving quasi-equilibrium and deals only with time scales long compared to wave propagation times. Hence the theory is not easily applied where genuine 3D aspects (e.g. height and field-line dependence), poorly known or variable magnetic fields (e.g. open field lines), or transient responses e.g. to rapid solar-wind changes are important, and it is intrinsically incapable of describing explosive non-equilibrium developments such as substorm onset. Possible extensions of the theory, comparison with numerical-simulation approaches, and implications for general space plasma physics (E-J vs. B-V) will be discussed.

Variations in the fine-structure constant constraining gravity theories

NASA Astrophysics Data System (ADS)

Bezerra, V. B.; Cunha, M. S.; Muniz, C. R.; Tahim, M. O.; Vieira, H. S.

2016-08-01

In this paper, we investigate how the fine-structure constant, α, locally varies in the presence of a static and spherically symmetric gravitational source. The procedure consists in calculating the solution and the energy eigenvalues of a massive scalar field around that source, considering the weak-field regime. From this result, we obtain expressions for a spatially variable fine-structure constant by considering suitable modifications in the involved parameters admitting some scenarios of semi-classical and quantum gravities. Constraints on free parameters of the approached theories are calculated from astrophysical observations of the emission spectra of a white dwarf. Such constraints are finally compared with those obtained in the literature.

Crystal-field splittings in rare-earth-based hard magnets: An ab initio approach

NASA Astrophysics Data System (ADS)

Delange, Pascal; Biermann, Silke; Miyake, Takashi; Pourovskii, Leonid

2017-10-01

We apply the first-principles density functional theory + dynamical mean-field theory framework to evaluate the crystal-field splitting on rare-earth sites in hard magnetic intermetallics. An atomic (Hubbard-I) approximation is employed for local correlations on the rare-earth 4 f shell and self-consistency in the charge density is implemented. We reduce the density functional theory self-interaction contribution to the crystal-field splitting by properly averaging the 4 f charge density before recalculating the one-electron Kohn-Sham potential. Our approach is shown to reproduce the experimental crystal-field splitting in the prototypical rare-earth hard magnet SmCo5. Applying it to R Fe12 and R Fe12X hard magnets (R =Nd , Sm and X =N , Li), we obtain in particular a large positive value of the crystal-field parameter A20〈r2〉 in NdFe12N resulting in a strong out-of-plane anisotropy observed experimentally. The sign of A20〈r2〉 is predicted to be reversed by substituting N with Li, leading to a strong out-of-plane anisotropy in SmFe12Li . We discuss the origin of this strong impact of N and Li interstitials on the crystal-field splitting on rare-earth sites.

Topological BF field theory description of topological insulators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cho, Gil Young; Moore, Joel E., E-mail: jemoore@berkeley.edu; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720

2011-06-15

Research Highlights: > We show that a BF theory is the effective theory of 2D and 3D topological insulators. > The non-gauge-invariance of the bulk theory yields surface terms for a bosonized Dirac fermion. > The 'axion' term in electromagnetism is correctly obtained from gapped surfaces. > Generalizations to possible fractional phases are discussed in closing. - Abstract: Topological phases of matter are described universally by topological field theories in the same way that symmetry-breaking phases of matter are described by Landau-Ginzburg field theories. We propose that topological insulators in two and three dimensions are described by a version ofmore » abelian BF theory. For the two-dimensional topological insulator or quantum spin Hall state, this description is essentially equivalent to a pair of Chern-Simons theories, consistent with the realization of this phase as paired integer quantum Hall effect states. The BF description can be motivated from the local excitations produced when a {pi} flux is threaded through this state. For the three-dimensional topological insulator, the BF description is less obvious but quite versatile: it contains a gapless surface Dirac fermion when time-reversal-symmetry is preserved and yields 'axion electrodynamics', i.e., an electromagnetic E . B term, when time-reversal symmetry is broken and the surfaces are gapped. Just as changing the coefficients and charges of 2D Chern-Simons theory allows one to obtain fractional quantum Hall states starting from integer states, BF theory could also describe (at a macroscopic level) fractional 3D topological insulators with fractional statistics of point-like and line-like objects.« less

The R.I. Pimenov unified gravitation and electromagnetism field theory as semi-Riemannian geometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gromov, N. A., E-mail: gromov@dm.komisc.r

2009-05-15

More than forty years ago R.I. Pimenov introduced a new geometry-semi-Riemannian one-as a set of geometrical objects consistent with a fibering pr: M{sub n} {yields} M{sub m}. He suggested the heuristic principle according to which the physically different quantities (meter, second, Coulomb, etc.) are geometrically modelled as space coordinates that are not superposed by automorphisms. As there is only one type of coordinates in Riemannian geometry and only three types of coordinates in pseudo-Riemannian one, a multiple-fibered semi-Riemannian geometry is the most appropriate one for the treatment of more than three different physical quantities as unified geometrical field theory. Semi-Euclideanmore » geometry {sup 3}R{sub 5}{sup 4} with 1-dimensional fiber x{sup 5} and 4-dimensional Minkowski space-time as a base is naturally interpreted as classical electrodynamics. Semi-Riemannian geometry {sup 3}V{sub 5}{sup 4} with the general relativity pseudo-Riemannian space-time {sup 3}V{sub 4}, and 1-dimensional fiber x{sup 5}, responsible for the electromagnetism, provides the unified field theory of gravitation and electromagnetism. Unlike Kaluza-Klein theories, where the fifth coordinate appears in nondegenerate Riemannian or pseudo-Riemannian geometry, the theory based on semi-Riemannian geometry is free from defects of the former. In particular, scalar field does not arise.« less

Consistent Quantum Theory

NASA Astrophysics Data System (ADS)

Griffiths, Robert B.

2001-11-01

Quantum mechanics is one of the most fundamental yet difficult subjects in physics. Nonrelativistic quantum theory is presented here in a clear and systematic fashion, integrating Born's probabilistic interpretation with Schrödinger dynamics. Basic quantum principles are illustrated with simple examples requiring no mathematics beyond linear algebra and elementary probability theory. The quantum measurement process is consistently analyzed using fundamental quantum principles without referring to measurement. These same principles are used to resolve several of the paradoxes that have long perplexed physicists, including the double slit and Schrödinger's cat. The consistent histories formalism used here was first introduced by the author, and extended by M. Gell-Mann, J. Hartle and R. Omnès. Essential for researchers yet accessible to advanced undergraduate students in physics, chemistry, mathematics, and computer science, this book is supplementary to standard textbooks. It will also be of interest to physicists and philosophers working on the foundations of quantum mechanics. Comprehensive account Written by one of the main figures in the field Paperback edition of successful work on philosophy of quantum mechanics

Analytical description of the transverse Anderson localization of light

NASA Astrophysics Data System (ADS)

Schirmacher, Walter; Leonetti, Marco; Ruocco, Giancarlo

2017-04-01

We develop an analytical theory for describing the transverse localization properties of light beams in optical fibers with lateral disorder. This theory, which starts from the widely used paraxial approximation for the Helmholtz equation of the electric field, is a combination of an effective-medium theory for transverse disorder with the self-consistent localization theory of Vollhardt and Wölfle. We obtain explicit expressions for the dependence of the transverse localization length on the direction along the fiber. These results are in agreement with simulational data published recently by Karbasi et al. In particular we explain the focussing mechanism leading to the establishment of narrow transparent channels along the sample.

A report on the gravitational redshift test for non-metric theories of gravitation

NASA Technical Reports Server (NTRS)

1980-01-01

The frequencies of two atomic hydrogen masers and of three superconducting cavity stabilized oscillators were compared as the ensemble of oscillators was moved in the Sun's gravitational field by the rotation and orbital motion of the Earth. Metric gravitation theories predict that the gravitational redshifts of the two types of oscillators are identical, and that there should be no relative frequency shift between the oscillators; nonmetric theories, in contrast, predict a frequency shift between masers and SCSOs that is proportional to the change in solar gravitational potential experienced by the oscillators. The results are consistent with metric theories of gravitation at a level of 2%.

Large field inflation from axion mixing

NASA Astrophysics Data System (ADS)

Shiu, Gary; Staessens, Wieland; Ye, Fang

2015-06-01

We study the general multi-axion systems, focusing on the possibility of large field inflation driven by axions. We find that through axion mixing from a non-diagonal metric on the moduli space and/or from Stückelberg coupling to a U(1) gauge field, an effectively super-Planckian decay constant can be generated without the need of "alignment" in the axion decay constants. We also investigate the consistency conditions related to the gauge symmetries in the multi-axion systems, such as vanishing gauge anomalies and the potential presence of generalized Chern-Simons terms. Our scenario applies generally to field theory models whose axion periodicities are intrinsically sub-Planckian, but it is most naturally realized in string theory. The types of axion mixings invoked in our scenario appear quite commonly in D-brane models, and we present its implementation in type II superstring theory. Explicit stringy models exhibiting all the characteristics of our ideas are constructed within the frameworks of Type IIA intersecting D6-brane models on and Type IIB intersecting D7-brane models on Swiss-Cheese Calabi-Yau orientifolds.

Notes on hyperscaling violating Lifshitz and shear diffusion

NASA Astrophysics Data System (ADS)

Kolekar, Kedar S.; Mukherjee, Debangshu; Narayan, K.

2017-07-01

We explore in greater detail our investigations of shear diffusion in hyperscaling violating Lifshitz theories in Phys. Lett. B 760, 86 (2016), 10.1016/j.physletb.2016.06.046. This adapts and generalizes the membrane-paradigm-like analysis of Kovtun, Son, and Starinets for shear gravitational perturbations in the near horizon region given certain self-consistent approximations, leading to the shear diffusion constant on an appropriately defined stretched horizon. In theories containing a gauge field, some of the metric perturbations mix with some of the gauge field perturbations and the above analysis is somewhat more complicated. We find a similar near-horizon analysis can be obtained in terms of new field variables involving a linear combination of the metric and the gauge field perturbation resulting in a corresponding diffusion equation. Thereby as before, for theories with Lifshitz and hyperscaling violating exponents z , θ satisfying z <4 -θ in four bulk dimensions, our analysis here results in a similar expression for the shear diffusion constant with power-law scaling with temperature suggesting universal behavior in relation to the viscosity bound. For z =4 -θ , we find logarithmic behavior.

Dark energy, non-minimal couplings and the origin of cosmic magnetic fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiménez, Jose Beltrán; Maroto, Antonio L., E-mail: jobeltra@fis.ucm.es, E-mail: maroto@fis.ucm.es

2010-12-01

In this work we consider the most general electromagnetic theory in curved space-time leading to linear second order differential equations, including non-minimal couplings to the space-time curvature. We assume the presence of a temporal electromagnetic background whose energy density plays the role of dark energy, as has been recently suggested. Imposing the consistency of the theory in the weak-field limit, we show that it reduces to standard electromagnetism in the presence of an effective electromagnetic current which is generated by the momentum density of the matter/energy distribution, even for neutral sources. This implies that in the presence of dark energy,more » the motion of large-scale structures generates magnetic fields. Estimates of the present amplitude of the generated seed fields for typical spiral galaxies could reach 10{sup −9} G without any amplification. In the case of compact rotating objects, the theory predicts their magnetic moments to be related to their angular momenta in the way suggested by the so called Schuster-Blackett conjecture.« less

SCF and CI calculations of the dipole moment function of ozone. [Self-Consistent Field and Configuration-Interaction

NASA Technical Reports Server (NTRS)

Curtiss, L. A.; Langhoff, S. R.; Carney, G. D.

1979-01-01

The constant and linear terms in a Taylor series expansion of the dipole moment function of the ground state of ozone are calculated with Cartesian Gaussian basis sets ranging in quality from minimal to double zeta plus polarization. Results are presented at both the self-consistent field and configuration-interaction levels. Although the algebraic signs of the linear dipole moment derivatives are all established to be positive, the absolute magnitudes of these quantities, as well as the infrared intensities calculated from them, vary considerably with the level of theory.

Hierarchies in Quantum Gravity: Large Numbers, Small Numbers, and Axions

NASA Astrophysics Data System (ADS)

Stout, John Eldon

Our knowledge of the physical world is mediated by relatively simple, effective descriptions of complex processes. By their very nature, these effective theories obscure any phenomena outside their finite range of validity, discarding information crucial to understanding the full, quantum gravitational theory. However, we may gain enormous insight into the full theory by understanding how effective theories with extreme characteristics--for example, those which realize large-field inflation or have disparate hierarchies of scales--can be naturally realized in consistent theories of quantum gravity. The work in this dissertation focuses on understanding the quantum gravitational constraints on these "extreme" theories in well-controlled corners of string theory. Axion monodromy provides one mechanism for realizing large-field inflation in quantum gravity. These models spontaneously break an axion's discrete shift symmetry and, assuming that the corrections induced by this breaking remain small throughout the excursion, create a long, quasi-flat direction in field space. This weakly-broken shift symmetry has been used to construct a dynamical solution to the Higgs hierarchy problem, dubbed the "relaxion." We study this relaxion mechanism and show that--without major modifications--it can not be naturally embedded within string theory. In particular, we find corrections to the relaxion potential--due to the ten-dimensional backreaction of monodromy charge--that conflict with naive notions of technical naturalness and render the mechanism ineffective. The super-Planckian field displacements necessary for large-field inflation may also be realized via the collective motion of many aligned axions. However, it is not clear that string theory provides the structures necessary for this to occur. We search for these structures by explicitly constructing the leading order potential for C4 axions and computing the maximum possible field displacement in all compactifications of type IIB string theory on toric Calabi-Yau hypersurfaces with h1,1 ≤ 4 in the Kreuzer-Skarke database. While none of these examples can sustain a super-Planckian displacement--the largest possible is 0.3 Mpl--we find an alignment mechanism responsible for large displacements in random matrix models at large h 1,1 >> 1, indicating that large-field inflation may be feasible in compactifications with tens or hundreds of axions. These results represent a modest step toward a complete understanding of large hierarchies and naturalness in quantum gravity.

Relativistic astrophysics. [studies of gravitational radiation in asymptotic de sitter space and post Newtonian approximation

NASA Technical Reports Server (NTRS)

Smalley, L. L.

1975-01-01

The coordinate independence of gravitational radiation and the parameterized post-Newtonian approximation from which it is extended are described. The general consistency of the field equations with Bianchi identities, gauge conditions, and the Newtonian limit of the perfect fluid equations of hydrodynamics are studied. A technique of modification is indicated for application to vector-metric or double metric theories, as well as to scalar-tensor theories.

Electric field induced sheeting and breakup of dielectric liquid jets

NASA Astrophysics Data System (ADS)

Khoshnevis, Ahmad; Tsai, Scott S. H.; Esmaeilzadeh, Esmaeil

2014-01-01

We report experimental observations of the controlled deformation of a dielectric liquid jet subjected to a local high-voltage electrostatic field in the direction normal to the jet. The jet deforms to the shape of an elliptic cylinder upon application of a normal electrostatic field. As the applied electric field strength is increased, the elliptic cylindrical jet deforms permanently into a flat sheet, and eventually breaks-up into droplets. We interpret this observation—the stretch of the jet is in the normal direction to the applied electric field—qualitatively using the Taylor-Melcher leaky dielectric theory, and develop a simple scaling model that predicts the critical electric field strength for the jet-to-sheet transition. Our model shows a good agreement with experimental results, and has a form that is consistent with the classical drop deformation criterion in the Taylor-Melcher theory. Finally, we statistically analyze the resultant droplets from sheet breakup, and find that increasing the applied electric field strength improves droplet uniformity and reduces droplet size.

Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation.

PubMed

Di Remigio, Roberto; Beerepoot, Maarten T P; Cornaton, Yann; Ringholm, Magnus; Steindal, Arnfinn Hykkerud; Ruud, Kenneth; Frediani, Luca

2016-12-21

The study of high-order absorption properties of molecules is a field of growing importance. Quantum-chemical studies can help design chromophores with desirable characteristics. Given that most experiments are performed in solution, it is important to devise a cost-effective strategy to include solvation effects in quantum-chemical studies of these properties. We here present an open-ended formulation of self-consistent field (SCF) response theory for a molecular solute coupled to a polarizable continuum model (PCM) description of the solvent. Our formulation relies on the open-ended, density matrix-based quasienergy formulation of SCF response theory of Thorvaldsen, et al., [J. Chem. Phys., 2008, 129, 214108] and the variational formulation of the PCM, as presented by Lipparini et al., [J. Chem. Phys., 2010, 133, 014106]. Within the PCM approach to solvation, the mutual solute-solvent polarization is represented by means of an apparent surface charge (ASC) spread over the molecular cavity defining the solute-solvent boundary. In the variational formulation, the ASC is an independent, variational degree of freedom. This allows us to formulate response theory for molecular solutes in the fixed-cavity approximation up to arbitrary order and with arbitrary perturbation operators. For electric dipole perturbations, pole and residue analyses of the response functions naturally lead to the identification of excitation energies and transition moments. We document the implementation of this approach in the Dalton program package using a recently developed open-ended response code and the PCMSolver libraries and present results for one-, two-, three-, four- and five-photon absorption processes of three small molecules in solution.

Double counting in the density functional plus dynamical mean-field theory of transition metal oxides

NASA Astrophysics Data System (ADS)

Dang, Hung

2015-03-01

Recently, the combination of density functional theory (DFT) and dynamical mean-field theory (DMFT) has become a widely-used beyond-mean-field approach for strongly correlated materials. However, not only is the correlation treated in DMFT but also in DFT to some extent, a problem arises as the correlation is counted twice in the DFT+DMFT framework. The correction for this problem is still not well-understood. To gain more understanding of this ``double counting'' problem, I provide a detailed study of the metal-insulator transition in transition metal oxides in the subspace of oxygen p and transition metal correlated d orbitals using DFT+DMFT. I will show that the fully charge self-consistent DFT+DMFT calculations with the standard ``fully-localized limit'' (FLL) double counting correction fail to predict correctly materials such as LaTiO3, LaVO3, YTiO3 and SrMnO3 as insulators. Investigations in a wide range of the p- d splitting, the d occupancy, the lattice structure and the double counting correction itself will be presented to understand the reason behind this failure. I will also show that if the double counting correction is chosen to reproduce the p- d splitting consistent with experimental data, the DFT+DMFT approach can still give reasonable results in comparison with experiments.

The variation of the fine-structure constant from disformal couplings

NASA Astrophysics Data System (ADS)

van de Bruck, Carsten; Mifsud, Jurgen; Nunes, Nelson J.

2015-12-01

We study a theory in which the electromagnetic field is disformally coupled to a scalar field, in addition to a usual non-minimal electromagnetic coupling. We show that disformal couplings modify the expression for the fine-structure constant, α. As a result, the theory we consider can explain the non-zero reported variation in the evolution of α by purely considering disformal couplings. We also find that if matter and photons are coupled in the same way to the scalar field, disformal couplings itself do not lead to a variation of the fine-structure constant. A number of scenarios are discussed consistent with the current astrophysical, geochemical, laboratory and the cosmic microwave background radiation constraints on the cosmological evolution of α. The models presented are also consistent with the current type Ia supernovae constraints on the effective dark energy equation of state. We find that the Oklo bound in particular puts strong constraints on the model parameters. From our numerical results, we find that the introduction of a non-minimal electromagnetic coupling enhances the cosmological variation in α. Better constrained data is expected to be reported by ALMA and with the forthcoming generation of high-resolution ultra-stable spectrographs such as PEPSI, ESPRESSO, and ELT-HIRES. Furthermore, an expected increase in the sensitivity of molecular and nuclear clocks will put a more stringent constraint on the theory.

The variation of the fine-structure constant from disformal couplings

DOE Office of Scientific and Technical Information (OSTI.GOV)

De Bruck, Carsten van; Mifsud, Jurgen; Nunes, Nelson J., E-mail: c.vandebruck@sheffield.ac.uk, E-mail: jmifsud1@sheffield.ac.uk, E-mail: njnunes@fc.ul.pt

2015-12-01

We study a theory in which the electromagnetic field is disformally coupled to a scalar field, in addition to a usual non-minimal electromagnetic coupling. We show that disformal couplings modify the expression for the fine-structure constant, α. As a result, the theory we consider can explain the non-zero reported variation in the evolution of α by purely considering disformal couplings. We also find that if matter and photons are coupled in the same way to the scalar field, disformal couplings itself do not lead to a variation of the fine-structure constant. A number of scenarios are discussed consistent with themore » current astrophysical, geochemical, laboratory and the cosmic microwave background radiation constraints on the cosmological evolution of α. The models presented are also consistent with the current type Ia supernovae constraints on the effective dark energy equation of state. We find that the Oklo bound in particular puts strong constraints on the model parameters. From our numerical results, we find that the introduction of a non-minimal electromagnetic coupling enhances the cosmological variation in α. Better constrained data is expected to be reported by ALMA and with the forthcoming generation of high-resolution ultra-stable spectrographs such as PEPSI, ESPRESSO, and ELT-HIRES. Furthermore, an expected increase in the sensitivity of molecular and nuclear clocks will put a more stringent constraint on the theory.« less

Experimental determination of plasma detachment from the diverging magnetic nozzle of the VASIMR VX-200 Electric Thruster

NASA Astrophysics Data System (ADS)

Olsen, Christopher; Squire, Jared; Longmier, Benjamin; Ballenger, Maxwell; Cassady, Leonard; Carter, Mark; Ilin, Andrew; Cloutier, Paul; Bering, Edgar; Giambusso, Matthew; Ad Astra Rocket Company Team; Rice University Collaboration; University of Houston Collaboration

2011-10-01

Theories of magnetized plasma detachment in an expanding magnetic field have been lacking detailed experimental evidence. Recent experiments using a 200 kW class electric rocket (VX-200), run at 100 kW using argon and a peak magnetic field of 2 T, produced ion energies greater than 100 eV with a flux of 2x1022 ions/s in a 150 m3 vacuum facility. Ion-neutral charge exchange effects were reduced and the resultant data show evidence of plasma detachment in a diverging magnetic field on a scale length of 2 m. The detachment is confirmed using multiple plasma diagnostics and magnetic nozzle topologies. Spatial maps of the data are compared to simulations from a particle detachment model, ParTraj, as well as MHD detachment theory. ParTraj, when compared to experiment, is shown to be more consistent in describing the data. Unless the MHD models are modified to incorporation two-fluid effects, single fluid MHD theory is inconsistent with the observations.

Kibble Zurek mechanism of topological defect formation in quantum field theory with matrix product states

NASA Astrophysics Data System (ADS)

Gillman, Edward; Rajantie, Arttu

2018-05-01

The Kibble Zurek mechanism in a relativistic ϕ4 scalar field theory in D =(1 +1 ) is studied using uniform matrix product states. The equal time two point function in momentum space G2(k ) is approximated as the system is driven through a quantum phase transition at a variety of different quench rates τQ. We focus on looking for signatures of topological defect formation in the system and demonstrate the consistency of the picture that the two point function G2(k ) displays two characteristic scales, the defect density n and the kink width dK. Consequently, G2(k ) provides a clear signature for the formation of defects and a well defined measure of the defect density in the system. These results provide a benchmark for the use of tensor networks as powerful nonperturbative nonequilibrium methods for relativistic quantum field theory, providing a promising technique for the future study of high energy physics and cosmology.

Edge states at phase boundaries and their stability

NASA Astrophysics Data System (ADS)

Asorey, M.; Balachandran, A. P.; Pérez-Pardo, J. M.

2016-10-01

We analyze the effects of Robin-like boundary conditions on different quantum field theories of spin 0, 1/2 and 1 on manifolds with boundaries. In particular, we show that these conditions often lead to the appearance of edge states. These states play a significant role in physical phenomena like quantum Hall effect and topological insulators. We prove in a rigorous way the existence of spectral lower bounds on the kinetic term of different Hamiltonians, even in the case of Abelian gauge fields where it is a non-elliptic differential operator. This guarantees the stability and consistency of massive field theories with masses larger than the lower bound of the kinetic term. Moreover, we find an upper bound for the deepest edge state. In the case of Abelian gauge theories, we analyze a generalization of Robin boundary conditions. For Dirac fermions, we analyze the cases of Atiyah-Patodi-Singer and chiral bag boundary conditions. The explicit dependence of the bounds on the boundary conditions and the size of the system is derived under general assumptions.

Anomalies, conformal manifolds, and spheres

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gomis, Jaume; Hsin, Po-Shen; Komargodski, Zohar

The two-point function of exactly marginal operators leads to a universal contribution to the trace anomaly in even dimensions. We study aspects of this trace anomaly, emphasizing its interpretation as a sigma model, whose target space $M$ is the space of conformal field theories (a.k.a. the conformal manifold). When the underlying quantum field theory is supersymmetric, this sigma model has to be appropriately supersymmetrized. As examples, we consider in some detail $N$ = (2; 2) and $N$ = (0; 2) supersymmetric theories in d = 2 and $N$ = 2 supersymmetric theories in d = 4. This reasoning leads tomore » new information about the conformal manifolds of these theories, for example, we show that the manifold is K ahler-Hodge and we further argue that it has vanishing K ahler class. For $N$ = (2; 2) theories in d = 2 and N = 2 theories in d = 4 we also show that the relation between the sphere partition function and the K ahler potential of $M$ follows immediately from the appropriate sigma models that we construct. Ultimately, along the way we find several examples of potential trace anomalies that obey the Wess-Zumino consistency conditions, but can be ruled out by a more detailed analysis.« less

Anomalies, conformal manifolds, and spheres

NASA Astrophysics Data System (ADS)

Gomis, Jaume; Hsin, Po-Shen; Komargodski, Zohar; Schwimmer, Adam; Seiberg, Nathan; Theisen, Stefan

2016-03-01

The two-point function of exactly marginal operators leads to a universal contribution to the trace anomaly in even dimensions. We study aspects of this trace anomaly, emphasizing its interpretation as a sigma model, whose target space {M} is the space of conformal field theories (a.k.a. the conformal manifold). When the underlying quantum field theory is supersymmetric, this sigma model has to be appropriately supersymmetrized. As examples, we consider in some detail {N}=(2,2) and {N}=(0,2) supersymmetric theories in d = 2 and {N}=2 supersymmetric theories in d = 4. This reasoning leads to new information about the conformal manifolds of these theories, for example, we show that the manifold is Kähler-Hodge and we further argue that it has vanishing Kähler class. For {N}=(2,2) theories in d = 2 and {N}=2 theories in d = 4 we also show that the relation between the sphere partition function and the Kähler potential of {M} follows immediately from the appropriate sigma models that we construct. Along the way we find several examples of potential trace anomalies that obey the Wess-Zumino consistency conditions, but can be ruled out by a more detailed analysis.

Anomalies, conformal manifolds, and spheres

DOE PAGES

Gomis, Jaume; Hsin, Po-Shen; Komargodski, Zohar; ...

2016-03-04

The two-point function of exactly marginal operators leads to a universal contribution to the trace anomaly in even dimensions. We study aspects of this trace anomaly, emphasizing its interpretation as a sigma model, whose target space $M$ is the space of conformal field theories (a.k.a. the conformal manifold). When the underlying quantum field theory is supersymmetric, this sigma model has to be appropriately supersymmetrized. As examples, we consider in some detail $N$ = (2; 2) and $N$ = (0; 2) supersymmetric theories in d = 2 and $N$ = 2 supersymmetric theories in d = 4. This reasoning leads tomore » new information about the conformal manifolds of these theories, for example, we show that the manifold is K ahler-Hodge and we further argue that it has vanishing K ahler class. For $N$ = (2; 2) theories in d = 2 and N = 2 theories in d = 4 we also show that the relation between the sphere partition function and the K ahler potential of $M$ follows immediately from the appropriate sigma models that we construct. Ultimately, along the way we find several examples of potential trace anomalies that obey the Wess-Zumino consistency conditions, but can be ruled out by a more detailed analysis.« less

Excitation spectra of retinal by multiconfiguration pair-density functional theory.

PubMed

Dong, Sijia S; Gagliardi, Laura; Truhlar, Donald G

2018-03-07

Retinal is the chromophore in proteins responsible for vision. The absorption maximum of retinal is sensitive to mutations of the protein. However, it is not easy to predict the absorption spectrum of retinal accurately, and questions remain even after intensive investigation. Retinal poses a challenge for Kohn-Sham density functional theory (KS-DFT) because of the charge transfer character in its excitations, and it poses a challenge for wave function theory because the large size of the molecule makes multiconfigurational perturbation theory methods expensive. In this study, we demonstrate that multiconfiguration pair-density functional theory (MC-PDFT) provides an efficient way to predict the vertical excitation energies of 11-Z retinal, and it reproduces the experimentally determined absorption band widths and peak positions better than complete active space second-order perturbation theory (CASPT2). The consistency between complete active space self-consistent field (CASSCF) and KS-DFT dipole moments is demonstrated to be a useful criterion in selecting the active space. We also found that the nature of the terminal groups and the conformations of retinal play a significant role in the absorption spectrum. By considering a thermal distribution of conformations, we predict an absorption spectrum of retinal that is consistent with the experimental gas-phase spectrum. The location of the absorption peak and the spectral broadening based on MC-PDFT calculations agree better with experiments than those of CASPT2.

Dualities and Curved Space Partition Functions of Supersymmetric Theories

NASA Astrophysics Data System (ADS)

Agarwal, Prarit

In this dissertation we discuss some conjectured dualities in supersymmetric field theories and provide non-trivial checks for these conjectures. A quick review of supersymmetry and related topics is provided in chapter 1. In chapter 2, we develop a method to identify the so called BPS states in the Hilbert space of a supersymmetric field theory (that preserves at least two real supercharges) on a generic curved space. As an application we obtain the superconformal index (SCI) of 4d theories. The large N SCI of quiver gauge theories has been previously noticed to factorize over the set of extremal BPS mesonic operators. In chapter 3, we reformulate this factorization in terms of the zigzag paths in the dimer model associated to the quiver and extend the factorization theorem of the index to include theories obtained from D-branes probing orbifold singularities. In chapter 4, we consider the dualities in two classes of 3 dimensional theories. The first class consist of dualities of certain necklace type Chern-Simons (CS) quiver gauge theories. A non trivial check of these dualities is provided by matching their squashed sphere partition functions. The second class consists of theories whose duals are described by a collection of free fields. In such cases, due to mixing between the superconformal R-symmetry and accidental symmetries, the matching of electric and magnetic partition functions is not straightforward. We provide a prescription to rectify this mismatch. In chapter 5, we consider some the N = 1 4d theories with orthogonal and symplectic gauge groups, arising from N = 1 preserving reduction of 6d theories on a Riemann surface. This construction allows us to dual descriptions of 4d theories. Some of the dual frames have no known Lagrangian description. We check the dualities by computing the anomaly coefficients and the superconformal indices. We also give a prescription to write the index of the theory obtained by reduction of 6d theories on a three punctured sphere with Z2 and Z3 twist lines and verify that it exhibits the conjectured symmetry enhancement from G2 x U Sp(6) to E 7. In chapter 6, we continue our study of 4d theories obtained from reduction of 6d theories. We introduce a new type of object that we call the 'Fan' and show how to construct new N = 1 superconformal theories using the Fan. In chapter 7, we demonstrate the existence of an infinite number of theories that are either dual to or exhibit a cascade of RG flows down to the SU(N) SQCD with four flavors and a quartic superpotential.

Finite-Temperature Relativistic Time-Blocking Approximation for Nuclear Strength Functions

NASA Astrophysics Data System (ADS)

Wibowo, Herlik; Litvinova, Elena

2017-09-01

This work presents an extension of the relativistic nuclear field theory (RNFT) developed throughout the last decade as an approach to the nuclear many-body problem, based on QHD meson-nucleon Lagrangian and relativistic field theory. The unique feature of RNFT is a consistent connection of the high-energy scale of heavy mesons, the medium-energy range of pion, and the low-energy domain of emergent collective vibrations (phonons). RNFT has demonstrated a very good performance in various nuclear structure calculations across the nuclear chart and, in particular, provides a consistent input for description of the two phases of r-process nucleosynthesis: neutron capture and beta decay. Further inclusion of finite temperature effects presented here allows for an extension of the method to highly excited compound nuclei. The covariant response theory in the relativistic time-blocking approximation (RTBA) is generalized for thermal effects, adopting the Matsubara Green's function formalism to the RNFT framework. The finite-temperature RTBA is implemented numerically to calculate multipole strength functions in medium-mass and heavy nuclei. The obtained results will be discussed in comparison to available experimental data and in the context of possible consequences for astrophysics.

Higher order alchemical derivatives from coupled perturbed self-consistent field theory.

PubMed

Lesiuk, Michał; Balawender, Robert; Zachara, Janusz

2012-01-21

We present an analytical approach to treat higher order derivatives of Hartree-Fock (HF) and Kohn-Sham (KS) density functional theory energy in the Born-Oppenheimer approximation with respect to the nuclear charge distribution (so-called alchemical derivatives). Modified coupled perturbed self-consistent field theory is used to calculate molecular systems response to the applied perturbation. Working equations for the second and the third derivatives of HF/KS energy are derived. Similarly, analytical forms of the first and second derivatives of orbital energies are reported. The second derivative of Kohn-Sham energy and up to the third derivative of Hartree-Fock energy with respect to the nuclear charge distribution were calculated. Some issues of practical calculations, in particular the dependence of the basis set and Becke weighting functions on the perturbation, are considered. For selected series of isoelectronic molecules values of available alchemical derivatives were computed and Taylor series expansion was used to predict energies of the "surrounding" molecules. Predicted values of energies are in unexpectedly good agreement with the ones computed using HF/KS methods. Presented method allows one to predict orbital energies with the error less than 1% or even smaller for valence orbitals. © 2012 American Institute of Physics

String-theoretic breakdown of effective field theory near black hole horizons

NASA Astrophysics Data System (ADS)

Dodelson, Matthew; Silverstein, Eva

2017-09-01

We investigate the validity of the equivalence principle near horizons in string theory, analyzing the breakdown of effective field theory caused by longitudinal string spreading effects. An experiment is set up where a detector is thrown into a black hole a long time after an early infalling string. Light cone gauge calculations, taken at face value, indicate a detectable level of root-mean-square longitudinal spreading of the initial string as measured by the late infaller. This results from the large relative boost between the string and detector in the near-horizon region, which develops automatically despite their modest initial energies outside the black hole and the weak curvature in the geometry. We subject this scenario to basic consistency checks, using these to obtain a relatively conservative criterion for its detectability. In a companion paper, we exhibit longitudinal nonlocality in well-defined gauge-invariant S-matrix calculations, obtaining results consistent with the predicted spreading albeit not in a direct analog of the black hole process. We discuss applications of this effect to the firewall paradox, and estimate the time and distance scales it predicts for new physics near black hole and cosmological horizons.

SOCIO-EMOTIONAL AND CHARACTER DEVELOPMENT

PubMed Central

Snyder, Frank J.

2015-01-01

More and more researchers are studying socio-emotional and character development (SECD). The rise and progress in SECD research is encouraging, but there is a critical issue with such a multidisciplinary and fast-developing field: SECD research and evaluation can be more consistent to prevent heterogeneity in definitions and disparate theoretical, measurement, and program models. After summarizing SECD-related literature, I recommend the theory of triadic influence (TTI) as a force to generate consistency and a resource to assist in guiding the design and evaluation of SECD-related programs. The theory fills a gulf in the literature that seeks an ecological theory aligned with SECD-related programs and etiology. The recommendation of the TTI stems from 3 main advantages: (1) The TTI integrates a full range of risk and protective factors in a detailed mediation and moderation framework; (2) it takes a comprehensive view of all the stakeholders in the educational system (i.e., youth, schools, families, and communities); (3) and its utility has been substantiated by empirical evidence from a variety of fields. I discuss applications of the TTI in SECD-related work and suggest improvements for etiology research and the design and evaluation of SECD programs. PMID:26478721

Computing decay rates for new physics theories with FEYNRULES and MADGRAPH 5_AMC@NLO

NASA Astrophysics Data System (ADS)

Alwall, Johan; Duhr, Claude; Fuks, Benjamin; Mattelaer, Olivier; Öztürk, Deniz Gizem; Shen, Chia-Hsien

2015-12-01

We present new features of the FEYNRULES and MADGRAPH 5_AMC@NLO programs for the automatic computation of decay widths that consistently include channels of arbitrary final-state multiplicity. The implementations are generic enough so that they can be used in the framework of any quantum field theory, possibly including higher-dimensional operators. We extend at the same time the conventions of the Universal FEYNRULES Output (or UFO) format to include decay tables and information on the total widths. We finally provide a set of representative examples of the usage of the new functions of the different codes in the framework of the Standard Model, the Higgs Effective Field Theory, the Strongly Interacting Light Higgs model and the Minimal Supersymmetric Standard Model and compare the results to available literature and programs for validation purposes.

Phase transition studies of BiMnO{sub 3}: Mean field theory approximations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lakshmi Priya, K. B.; Natesan, Baskaran, E-mail: nbaski@nitt.edu

We studied the phase transition and magneto-electric coupling effect of BiMnO{sub 3} by employing mean field theory approximations. To capture the ferromagnetic and ferroelectric transitions of BiMnO{sub 3}, we construct an extended Ising model in a 2D square lattice, wherein, the magnetic (electric) interactions are described in terms of the direct interactions between the localized magnetic (electric dipole) moments of Mn ions with their nearest neighbors. To evaluate our model, we obtain magnetization, magnetic susceptibility and electric polarization using mean field approximation calculations. Our results reproduce both the ferromagnetic and the ferroelectric transitions, matching very well with the experimental reports.more » Furthermore, consistent with experimental observations, our mean field results suggest that there is indeed a coupling between the magnetic and electric ordering in BiMnO{sub 3}.« less

On the structure of quantum L∞ algebras

NASA Astrophysics Data System (ADS)

Blumenhagen, Ralph; Fuchs, Michael; Traube, Matthias

2017-10-01

It is believed that any classical gauge symmetry gives rise to an L∞ algebra. Based on the recently realized relation between classical W algebras and L∞ algebras, we analyze how this generalizes to the quantum case. Guided by the existence of quantum W algebras, we provide a physically well motivated definition of quantum L∞ algebras describing the consistency of global symmetries in quantum field theories. In this case we are restricted to only two non-trivial graded vector spaces X 0 and X -1 containing the symmetry variations and the symmetry generators. This quantum L∞ algebra structure is explicitly exemplified for the quantum W_3 algebra. The natural quantum product between fields is the normal ordered one so that, due to contractions between quantum fields, the higher L∞ relations receive off-diagonal quantum corrections. Curiously, these are not present in the loop L∞ algebra of closed string field theory.

REVIEWS OF TOPICAL PROBLEMS: Particle kinetics in highly turbulent plasmas (renormalization and self-consistent field methods)

NASA Astrophysics Data System (ADS)

Bykov, Andrei M.; Toptygin, Igor'N.

1993-11-01

This review presents methods available for calculating transport coefficients for impurity particles in plasmas with strong long-wave MHD-type velocity and magnetic-field fluctuations, and random ensembles of strong shock fronts. The renormalization of the coefficients of the mean-field equation of turbulent dynamo theory is also considered. Particular attention is devoted to the renormalization method developed by the authors in which the renormalized transport coefficients are calculated from a nonlinear transcendental equation (or a set of such equations) and are expressed in the form of explicit functions of pair correlation tensors describing turbulence. Numerical calculations are reproduced for different turbulence spectra. Spatial transport in a magnetic field and particle acceleration by strong turbulence are investigated. The theory can be used in a wide range of practical problems in plasma physics, atmospheric physics, ocean physics, astrophysics, cosmic-ray physics, and so on.

Self-consistent hybrid functionals for solids: a fully-automated implementation

NASA Astrophysics Data System (ADS)

Erba, A.

2017-08-01

A fully-automated algorithm for the determination of the system-specific optimal fraction of exact exchange in self-consistent hybrid functionals of the density-functional-theory is illustrated, as implemented into the public Crystal program. The exchange fraction of this new class of functionals is self-consistently updated proportionally to the inverse of the dielectric response of the system within an iterative procedure (Skone et al 2014 Phys. Rev. B 89, 195112). Each iteration of the present scheme, in turn, implies convergence of a self-consistent-field (SCF) and a coupled-perturbed-Hartree-Fock/Kohn-Sham (CPHF/KS) procedure. The present implementation, beside improving the user-friendliness of self-consistent hybrids, exploits the unperturbed and electric-field perturbed density matrices from previous iterations as guesses for subsequent SCF and CPHF/KS iterations, which is documented to reduce the overall computational cost of the whole process by a factor of 2.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Düchs, Dominik; Delaney, Kris T., E-mail: kdelaney@mrl.ucsb.edu; Fredrickson, Glenn H., E-mail: ghf@mrl.ucsb.edu

Field-theoretic models have been used extensively to study the phase behavior of inhomogeneous polymer melts and solutions, both in self-consistent mean-field calculations and in numerical simulations of the full theory capturing composition fluctuations. The models commonly used can be grouped into two categories, namely, species models and exchange models. Species models involve integrations of functionals that explicitly depend on fields originating both from species density operators and their conjugate chemical potential fields. In contrast, exchange models retain only linear combinations of the chemical potential fields. In the two-component case, development of exchange models has been instrumental in enabling stable complexmore » Langevin (CL) simulations of the full complex-valued theory. No comparable stable CL approach has yet been established for field theories of the species type. Here, we introduce an extension of the exchange model to an arbitrary number of components, namely, the multi-species exchange (MSE) model, which greatly expands the classes of soft material systems that can be accessed by the complex Langevin simulation technique. We demonstrate the stability and accuracy of the MSE-CL sampling approach using numerical simulations of triblock and tetrablock terpolymer melts, and tetrablock quaterpolymer melts. This method should enable studies of a wide range of fluctuation phenomena in multiblock/multi-species polymer blends and composites.« less

Crystal Field in Rare-Earth Complexes: From Electrostatics to Bonding.

PubMed

Alessandri, Riccardo; Zulfikri, Habiburrahman; Autschbach, Jochen; Bolvin, Hélène

2018-04-11

The flexibility of first-principles (ab initio) calculations with the SO-CASSCF (complete active space self-consistent field theory with a treatment of the spin-orbit (SO) coupling by state interaction) method is used to quantify the electrostatic and covalent contributions to crystal field parameters. Two types of systems are chosen for illustration: 1) The ionic and experimentally well-characterized PrCl 3 crystal; this study permits a revisitation of the partition of contributions proposed in the early days of crystal field theory; and 2) a series of sandwich molecules [Ln(η n -C n H n ) 2 ] q , with Ln=Dy, Ho, Er, and Tm and n=5, 6, and 8, in which the interaction between Ln III and the aromatic ligands is more difficult to describe within an electrostatic approach. It is shown that a model with three layers of charges reproduces the electrostatic field generated by the ligands and that the covalency plays a qualitative role. The one-electron character of crystal field theory is discussed and shown to be valuable, although it is not completely quantitative. This permits a reduction of the many-electron problem to a discussion of the energy of the seven 4f orbitals. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Neoclassical simulation of tokamak plasmas using the continuum gyrokinetic code TEMPEST.

PubMed

Xu, X Q

2008-07-01

We present gyrokinetic neoclassical simulations of tokamak plasmas with a self-consistent electric field using a fully nonlinear (full- f ) continuum code TEMPEST in a circular geometry. A set of gyrokinetic equations are discretized on a five-dimensional computational grid in phase space. The present implementation is a method of lines approach where the phase-space derivatives are discretized with finite differences, and implicit backward differencing formulas are used to advance the system in time. The fully nonlinear Boltzmann model is used for electrons. The neoclassical electric field is obtained by solving the gyrokinetic Poisson equation with self-consistent poloidal variation. With a four-dimensional (psi,theta,micro) version of the TEMPEST code, we compute the radial particle and heat fluxes, the geodesic-acoustic mode, and the development of the neoclassical electric field, which we compare with neoclassical theory using a Lorentz collision model. The present work provides a numerical scheme for self-consistently studying important dynamical aspects of neoclassical transport and electric field in toroidal magnetic fusion devices.

Neoclassical simulation of tokamak plasmas using the continuum gyrokinetic code TEMPEST

NASA Astrophysics Data System (ADS)

Xu, X. Q.

2008-07-01

We present gyrokinetic neoclassical simulations of tokamak plasmas with a self-consistent electric field using a fully nonlinear (full- f ) continuum code TEMPEST in a circular geometry. A set of gyrokinetic equations are discretized on a five-dimensional computational grid in phase space. The present implementation is a method of lines approach where the phase-space derivatives are discretized with finite differences, and implicit backward differencing formulas are used to advance the system in time. The fully nonlinear Boltzmann model is used for electrons. The neoclassical electric field is obtained by solving the gyrokinetic Poisson equation with self-consistent poloidal variation. With a four-dimensional (ψ,θ,γ,μ) version of the TEMPEST code, we compute the radial particle and heat fluxes, the geodesic-acoustic mode, and the development of the neoclassical electric field, which we compare with neoclassical theory using a Lorentz collision model. The present work provides a numerical scheme for self-consistently studying important dynamical aspects of neoclassical transport and electric field in toroidal magnetic fusion devices.

Parameterized post-Newtonian cosmology

NASA Astrophysics Data System (ADS)

Sanghai, Viraj A. A.; Clifton, Timothy

2017-03-01

Einstein’s theory of gravity has been extensively tested on solar system scales, and for isolated astrophysical systems, using the perturbative framework known as the parameterized post-Newtonian (PPN) formalism. This framework is designed for use in the weak-field and slow-motion limit of gravity, and can be used to constrain a large class of metric theories of gravity with data collected from the aforementioned systems. Given the potential of future surveys to probe cosmological scales to high precision, it is a topic of much contemporary interest to construct a similar framework to link Einstein’s theory of gravity and its alternatives to observations on cosmological scales. Our approach to this problem is to adapt and extend the existing PPN formalism for use in cosmology. We derive a set of equations that use the same parameters to consistently model both weak fields and cosmology. This allows us to parameterize a large class of modified theories of gravity and dark energy models on cosmological scales, using just four functions of time. These four functions can be directly linked to the background expansion of the universe, first-order cosmological perturbations, and the weak-field limit of the theory. They also reduce to the standard PPN parameters on solar system scales. We illustrate how dark energy models and scalar-tensor and vector-tensor theories of gravity fit into this framework, which we refer to as ‘parameterized post-Newtonian cosmology’ (PPNC).

Communication: A difference density picture for the self-consistent field ansatz.

PubMed

Parrish, Robert M; Liu, Fang; Martínez, Todd J

2016-04-07

We formulate self-consistent field (SCF) theory in terms of an interaction picture where the working variable is the difference density matrix between the true system and a corresponding superposition of atomic densities. As the difference density matrix directly represents the electronic deformations inherent in chemical bonding, this "difference self-consistent field (dSCF)" picture provides a number of significant conceptual and computational advantages. We show that this allows for a stable and efficient dSCF iterative procedure with wholly single-precision Coulomb and exchange matrix builds. We also show that the dSCF iterative procedure can be performed with aggressive screening of the pair space. These approximations are tested and found to be accurate for systems with up to 1860 atoms and >10 000 basis functions, providing for immediate overall speedups of up to 70% in the heavily optimized TeraChem SCF implementation.

Communication: A difference density picture for the self-consistent field ansatz

NASA Astrophysics Data System (ADS)

Parrish, Robert M.; Liu, Fang; Martínez, Todd J.

2016-04-01

We formulate self-consistent field (SCF) theory in terms of an interaction picture where the working variable is the difference density matrix between the true system and a corresponding superposition of atomic densities. As the difference density matrix directly represents the electronic deformations inherent in chemical bonding, this "difference self-consistent field (dSCF)" picture provides a number of significant conceptual and computational advantages. We show that this allows for a stable and efficient dSCF iterative procedure with wholly single-precision Coulomb and exchange matrix builds. We also show that the dSCF iterative procedure can be performed with aggressive screening of the pair space. These approximations are tested and found to be accurate for systems with up to 1860 atoms and >10 000 basis functions, providing for immediate overall speedups of up to 70% in the heavily optimized TeraChem SCF implementation.

Chiral effective theory of dark matter direct detection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bishara, Fady; Brod, Joachim; Grinstein, Benjamin

2017-02-01

We present the effective field theory for dark matter interactions with the visible sector that is valid at scales of O(1 GeV). Starting with an effective theory describing the interactions of fermionic and scalar dark matter with quarks, gluons and photons via higher dimension operators that would arise from dimension-five and dimension-six operators above electroweak scale, we perform a nonperturbative matching onto a heavy baryon chiral perturbation theory that describes dark matter interactions with light mesons and nucleons. This is then used to obtain the coefficients of the nuclear response functions using a chiral effective theory description of nuclear forces.more » Our results consistently keep the leading contributions in chiral counting for each of the initial Wilson coefficients.« less

Extended Lagrangian Excited State Molecular Dynamics

DOE PAGES

Bjorgaard, Josiah August; Sheppard, Daniel Glen; Tretiak, Sergei; ...

2018-01-09

In this work, an extended Lagrangian framework for excited state molecular dynamics (XL-ESMD) using time-dependent self-consistent field theory is proposed. The formulation is a generalization of the extended Lagrangian formulations for ground state Born–Oppenheimer molecular dynamics [Phys. Rev. Lett. 2008 100, 123004]. The theory is implemented, demonstrated, and evaluated using a time-dependent semiempirical model, though it should be generally applicable to ab initio theory. The simulations show enhanced energy stability and a significantly reduced computational cost associated with the iterative solutions of both the ground state and the electronically excited states. Relaxed convergence criteria can therefore be used both formore » the self-consistent ground state optimization and for the iterative subspace diagonalization of the random phase approximation matrix used to calculate the excited state transitions. In conclusion, the XL-ESMD approach is expected to enable numerically efficient excited state molecular dynamics for such methods as time-dependent Hartree–Fock (TD-HF), Configuration Interactions Singles (CIS), and time-dependent density functional theory (TD-DFT).« less

Extended Lagrangian Excited State Molecular Dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bjorgaard, Josiah August; Sheppard, Daniel Glen; Tretiak, Sergei

In this work, an extended Lagrangian framework for excited state molecular dynamics (XL-ESMD) using time-dependent self-consistent field theory is proposed. The formulation is a generalization of the extended Lagrangian formulations for ground state Born–Oppenheimer molecular dynamics [Phys. Rev. Lett. 2008 100, 123004]. The theory is implemented, demonstrated, and evaluated using a time-dependent semiempirical model, though it should be generally applicable to ab initio theory. The simulations show enhanced energy stability and a significantly reduced computational cost associated with the iterative solutions of both the ground state and the electronically excited states. Relaxed convergence criteria can therefore be used both formore » the self-consistent ground state optimization and for the iterative subspace diagonalization of the random phase approximation matrix used to calculate the excited state transitions. In conclusion, the XL-ESMD approach is expected to enable numerically efficient excited state molecular dynamics for such methods as time-dependent Hartree–Fock (TD-HF), Configuration Interactions Singles (CIS), and time-dependent density functional theory (TD-DFT).« less

Extended Lagrangian Excited State Molecular Dynamics.

PubMed

Bjorgaard, J A; Sheppard, D; Tretiak, S; Niklasson, A M N

2018-02-13

An extended Lagrangian framework for excited state molecular dynamics (XL-ESMD) using time-dependent self-consistent field theory is proposed. The formulation is a generalization of the extended Lagrangian formulations for ground state Born-Oppenheimer molecular dynamics [Phys. Rev. Lett. 2008 100, 123004]. The theory is implemented, demonstrated, and evaluated using a time-dependent semiempirical model, though it should be generally applicable to ab initio theory. The simulations show enhanced energy stability and a significantly reduced computational cost associated with the iterative solutions of both the ground state and the electronically excited states. Relaxed convergence criteria can therefore be used both for the self-consistent ground state optimization and for the iterative subspace diagonalization of the random phase approximation matrix used to calculate the excited state transitions. The XL-ESMD approach is expected to enable numerically efficient excited state molecular dynamics for such methods as time-dependent Hartree-Fock (TD-HF), Configuration Interactions Singles (CIS), and time-dependent density functional theory (TD-DFT).

Excited State Studies of Polyacenes Using the All-Order Constricted Variational Density Functional Theory with Orbital Relaxation.

PubMed

Senn, Florian; Krykunov, Mykhaylo

2015-10-22

For the polyacenes series from naphthalene to hexacene, we present the vertical singlet excitation energies 1 (1)La and 1 (1)Lb, as well as the first triplet excitation energies obtained by the all-order constricted variational density functional theory with orbital relaxation (R-CV(∞)-DFT). R-CV(∞)-DFT is a further development of variational density functional theory (CV(∞)-DFT), which has already been successfully applied for the calculation of the vertical singlet excitation energies (1)La and (1)Lb for polyacenes,15 and we show that one obtains consistent excitation energies using the local density approximation as a functional for singlet as well as for triplet excitations when going beyond the linear response theory. Furthermore, we apply self-consistent field density functional theory (ΔSCF-DFT) and compare the obtained excitation energies for the first triplet excitations T1, where, due to the character of the transition, ΔSCF-DFT and R-CV(∞)-DFT become numerically equivalent, and for the singlet excitations 1 (1)La and 1 (1)Lb, where the two methods differ.

Effects of Dzyaloshinsky-Moriya interaction on magnetism in nanodisks from a self-consistent approach

NASA Astrophysics Data System (ADS)

Liu, Zhaosen; Ian, Hou

2016-01-01

We give a theoretical study on the magnetic properties of monolayer nanodisks with both Heisenberg exchange and Dzyaloshinsky-Moriya (DM) interactions. In particular, we survey the magnetic effects caused by anisotropy, external magnetic field, and disk size when DM interaction is present by means of a new quantum simulation method facilitated by a self-consistent algorithm based on mean field theory. This computational approach finds that uniaxial anisotropy and transversal magnetic field enhance the net magnetization as well as increase the transition temperature of the vortical phase while preserving the chiralities of the swirly magnetic structures, whereas when the strength of DM interaction is sufficiently strong for a given disk size, magnetic domains appear within the circularly bounded region, which vanish and give in to a single vortex when a transversal magnetic field is applied. The latter confirms the magnetic skyrmions induced by the magnetic field as observed in the experiments.

Low-energy dynamics of gravitation

NASA Astrophysics Data System (ADS)

Torma, Tibor

The present status of theories of quantum gravity are reviewed from the low energy point of view. String theory relates classical black-hole type solutions of Einstein- like equations (e.g. axidilaton gravity) to the string vacuum. Several such solutions are proposed and their properties are investigated, including their behavior under supersymmetry transformations. A general feature of all possible quantum theories of gravitation is that they lead to a field theory description at low (as compared to the Planck mass) energies. The theoretical consistency, uniqueness and consequences of such an effective theory are investigated. I show that a power counting theorem allows for the momentum expansion that defines the effective theory even in the presence of large masses. I also show that graviton-graviton scattering is free of potential infrared and collinear divergencies that plague perturbative discussions of Yang-Mills theories.

Theory of Thomson scattering in inhomogeneous plasmas

NASA Astrophysics Data System (ADS)

Belyi, V. V.

2018-05-01

A self-consistent kinetic theory of Thomson scattering of an electromagnetic field by a nonuniform plasma is derived. We show that not only the imaginary part, but also the time and space derivatives of the real part of the dielectric susceptibility determine the amplitude and the width of the Thomson scattering spectral lines. As a result of inhomogeneity, these properties become asymmetric with respect to inversion of the sign of the frequency. Our theory provides a method of a remote probing and measurement of electron density gradients in plasma; this is based on the demonstrated asymmetry of the Thomson scattering lines.

Ab initio molecular orbital studies of the positive muon and muonium in 4-arylmethyleneamino-TEMPO derivatives

NASA Astrophysics Data System (ADS)

Briere, T. M.; Jeong, J.; Das, T. P.; Ohira, S.; Nagamine, K.

2000-08-01

The muon and muonium bonding sites of the 4-arylmethyleneamino-2,2,6,6-tetramethylpiperidin-1-yloxyl radical crystals with aryl groups consisting of biphenyl and 4-pyridyl were studied via ab initio Hartree-Fock theory. The hyperfine fields, including both intramolecular and intermolecular interactions, were calculated at the sites of interest and compared to zero field μSR results.

Calculation of electrostatic fields in periodic structures of complex shape

NASA Technical Reports Server (NTRS)

Kravchenko, V. F.

1978-01-01

A universal algorithm is presented for calculating electrostatic fields in an infinite periodic structure consisting of electrodes of arbitrary shape which are located in mirror-symmetrical manner along the axis of electron-beam propagation. The method is based on the theory of R-functions, and the differential operators which are derived on the basis of the functions. Numerical results are presented and the accuracy of the results is examined.

Coupling continuum dislocation transport with crystal plasticity for application to shock loading conditions

DOE PAGES

Luscher, Darby Jon; Mayeur, Jason Rhea; Mourad, Hashem Mohamed; ...

2015-08-05

Here, we have developed a multi-physics modeling approach that couples continuum dislocation transport, nonlinear thermoelasticity, crystal plasticity, and consistent internal stress and deformation fields to simulate the single-crystal response of materials under extreme dynamic conditions. Dislocation transport is modeled by enforcing dislocation conservation at a slip-system level through the solution of advection-diffusion equations. Nonlinear thermoelasticity provides a thermodynamically consistent equation of state to relate stress (including pressure), temperature, energy densities, and dissipation. Crystal plasticity is coupled to dislocation transport via Orowan's expression where the constitutive description makes use of recent advances in dislocation velocity theories applicable under extreme loading conditions.more » The configuration of geometrically necessary dislocation density gives rise to an internal stress field that can either inhibit or accentuate the flow of dislocations. An internal strain field associated with the internal stress field contributes to the kinematic decomposition of the overall deformation. The paper describes each theoretical component of the framework, key aspects of the constitutive theory, and some details of a one-dimensional implementation. Results from single-crystal copper plate impact simulations are discussed in order to highlight the role of dislocation transport and pile-up in shock loading regimes. The main conclusions of the paper reinforce the utility of the modeling approach to shock problems.« less

Spontaneous symmetry breaking, conformal anomaly and incompressible fluid turbulence

NASA Astrophysics Data System (ADS)

Oz, Yaron

2017-11-01

We propose an effective conformal field theory (CFT) description of steady state incompressible fluid turbulence at the inertial range of scales in any number of spatial dimensions. We derive a KPZ-type equation for the anomalous scaling of the longitudinal velocity structure functions and relate the intermittency parameter to the boundary Euler (A-type) conformal anomaly coefficient. The proposed theory consists of a mean field CFT that exhibits Kolmogorov linear scaling (K41 theory) coupled to a dilaton. The dilaton is a Nambu-Goldstone gapless mode that arises from a spontaneous breaking due to the energy flux of the separate scale and time symmetries of the inviscid Navier-Stokes equations to a K41 scaling with a dynamical exponent z=2/3 . The dilaton acts as a random measure that dresses the K41 theory and introduces intermittency. We discuss the two, three and large number of space dimensions cases and how entanglement entropy can be used to characterize the intermittency strength.

An E-plane analysis of aperture-matched horn antennas using the moment method and the uniform geometrical theory of diffraction

NASA Technical Reports Server (NTRS)

Heedy, D. J.; Burnside, W. D.

1984-01-01

The moment method and the uniform geometrical theory of diffraction are utilized to obtain two separate solutions for the E-plane field pattern of an aperture-matched horn antenna. This particular horn antenna consists of a standard pyramidal horn with the following modifications: a rolled edge section attached to the aperture edges and a curved throat section. The resulting geometry provides significantly better performance in terms of the pattern, impedance, and frequency characteristics than normally obtainable. The moment method is used to calculate the E-plane pattern and BSWR of the antenna. However, at higher frequencies, large amounts of computation time are required. The uniform geometrical theory of diffraction provides a quick and efficient high frequency solution for the E-plane field pattern. In fact, the uniform geometrical theory of diffraction may be used to initially design the antenna; then, the moment method may be applied to fine tune the design. This procedure has been successfully applied to a compact range feed design.

The trispectrum in the Effective Field Theory of Large Scale Structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bertolini, Daniele; Schutz, Katelin; Solon, Mikhail P.

2016-06-01

We compute the connected four point correlation function (the trispectrum in Fourier space) of cosmological density perturbations at one-loop order in Standard Perturbation Theory (SPT) and the Effective Field Theory of Large Scale Structure (EFT of LSS). This paper is a companion to our earlier work on the non-Gaussian covariance of the matter power spectrum, which corresponds to a particular wavenumber configuration of the trispectrum. In the present calculation, we highlight and clarify some of the subtle aspects of the EFT framework that arise at third order in perturbation theory for general wavenumber configurations of the trispectrum. We consistently incorporatemore » vorticity and non-locality in time into the EFT counterterms and lay out a complete basis of building blocks for the stress tensor. We show predictions for the one-loop SPT trispectrum and the EFT contributions, focusing on configurations which have particular relevance for using LSS to constrain primordial non-Gaussianity.« less

Adventures in Topological Field Theory

NASA Astrophysics Data System (ADS)

Horne, James H.

1990-01-01

This thesis consists of 5 parts. In part I, the topological Yang-Mills theory and the topological sigma model are presented in a superspace formulation. This greatly simplifies the field content of the theories, and makes the Q-invariance more obvious. The Feynman rules for the topological Yang -Mills theory are derived. We calculate the one-loop beta-functions of the topological sigma model in superspace. The lattice version of these theories is presented. The self-duality constraints of both models lead to spectrum doubling. In part II, we show that conformally invariant gravity in three dimensions is equivalent to the Yang-Mills gauge theory of the conformal group in three dimensions, with a Chern-Simons action. This means that conformal gravity is finite and exactly soluble. In part III, we derive the skein relations for the fundamental representations of SO(N), Sp(2n), Su(m| n), and OSp(m| 2n). These relations can be used recursively to calculate the expectation values of Wilson lines in three-dimensional Chern-Simons gauge theory with these gauge groups. A combination of braiding and tying of Wilson lines completely describes the skein relations. In part IV, we show that the k = 1 two dimensional gravity amplitudes at genus 3 agree precisely with the results from intersection theory on moduli space. Predictions for the genus 4 intersection numbers follow from the two dimensional gravity theory. In part V, we discuss the partition function in two dimensional gravity. For the one matrix model at genus 2, we use the partition function to derive a recursion relation. We show that the k = 1 amplitudes completely determine the partition function at arbitrary genus. We present a conjecture for the partition function for the arbitrary topological field theory coupled to topological gravity.

Inclusive neutrino scattering off the deuteron at low energies in chiral effective field theory

DOE PAGES

Baroni, A.; Schiavilla, R.

2017-07-19

Cross sections for inclusive neutrino scattering off deuteron induced by neutral and charge-changing weak currents are calculated from threshold up to 150 MeV energies in a chiral effective field theory including high orders in the power counting. The contributions beyond leading order (LO) in the weak current are found to be small, and increase the cross sections obtained with the LO transition operators by a couple of percent over the whole energy range (0--150) MeV. Furthermore, the cutoff dependence is negligible, and the predicted cross sections are within ~2% of, albeit consistently larger than, corresponding predictions obtained in conventional meson-exchangemore » frameworks.« less

Quantum Impurity Models as Reference Systems for Strongly Correlated Materials: The Road from the Kondo Impurity Model to First Principles Electronic Structure Calculations with Dynamical Mean-Field Theory

NASA Astrophysics Data System (ADS)

Kotliar, Gabriel

2005-01-01

Dynamical mean field theory (DMFT) relates extended systems (bulk solids, surfaces and interfaces) to quantum impurity models (QIM) satisfying a self-consistency condition. This mapping provides an economic description of correlated electron materials. It is currently used in practical computations of physical properties of real materials. It has also great conceptual value, providing a simple picture of correlated electron phenomena on the lattice, using concepts derived from quantum impurity models such as the Kondo effect. DMFT can also be formulated as a first principles electronic structure method and is applicable to correlated materials.

Quantum field theory and the linguistic Minimalist Program: a remarkable isomorphism

NASA Astrophysics Data System (ADS)

Piattelli-Palmarini, M.; Vitiello, G.

2017-08-01

By resorting to recent results, we show that an isomorphism exist between linguistic features of the Minimalist Program and the quantum field theory formalism of condensed matter physics. Specific linguistic features which admit a representation in terms of the many-body algebraic formalism are the unconstrained nature of recursive Merge, the operation of the Labeling Algorithm, the difference between pronounced and un-pronounced copies of elements in a sentence and the build-up of the Fibonacci sequence in the syntactic derivation of sentence structures. The collective dynamical nature of the formation process of Logical Forms leading to the individuation of the manifold of concepts and the computational self-consistency of languages are also discussed.

SU(N) affine Toda solitons and breathers from transparent Dirac potentials

NASA Astrophysics Data System (ADS)

Thies, Michael

2017-05-01

Transparent scalar and pseudoscalar potentials in the one-dimensional Dirac equation play an important role as self-consistent mean fields in 1  +  1 dimensional four-fermion theories (Gross-Neveu, Nambu-Jona Lasinio models) and quasi-one dimensional superconductors (Bogoliubov-de Gennes equation). Here, we show that they also serve as seed to generate a large class of classical multi-soliton and multi-breather solutions of su(N) affine Toda field theories, including the Lax representation and the corresponding vector. This generalizes previous findings about the relationship between real kinks in the Gross-Neveu model and classical solitons of the sinh-Gordon equation to complex twisted kinks.

Statistical effects in large N supersymmetric gauge theories

NASA Astrophysics Data System (ADS)

Czech, Bartlomiej Stanislaw

This thesis discusses statistical simplifications arising in supersymmetric gauge theories in the limit of large rank. Applications involve the physics of black holes and the problem of predicting the low energy effective theory from a landscape of string vacua. The first part of this work uses the AdS/CFT correspondence to explain properties of black holes. We establish that in the large charge sector of toric quiver gauge theories there exists a typical state whose structure is closely mimicked by almost all other states. Then, working in the settings of the half-BPS sector of N = 4 super-Yang-Mills theory, we show that in the dual gravity theory semiclassical observations cannot distinguish a pair of geometries corresponding to two generic heavy states. Finally, we argue on general grounds that these conclusions are exponentially enhanced in quantum cosmological settings. The results establish that one may consistently account for the entropy of a black hole with heavy states in the dual field theory and suggest that the usual properties of black holes arise as artifacts of imposing a semiclassical description on a quantum system. In the second half we develop new tools to determine the infrared behavior of quiver gauge theories in a certain class. We apply the dynamical results to a toy model of the landscape of effective field theories defined at some high energy scale, and derive firm statistical predictions for the low energy effective theory.

Feynman rules for the Standard Model Effective Field Theory in R ξ -gauges

NASA Astrophysics Data System (ADS)

Dedes, A.; Materkowska, W.; Paraskevas, M.; Rosiek, J.; Suxho, K.

2017-06-01

We assume that New Physics effects are parametrized within the Standard Model Effective Field Theory (SMEFT) written in a complete basis of gauge invariant operators up to dimension 6, commonly referred to as "Warsaw basis". We discuss all steps necessary to obtain a consistent transition to the spontaneously broken theory and several other important aspects, including the BRST-invariance of the SMEFT action for linear R ξ -gauges. The final theory is expressed in a basis characterized by SM-like propagators for all physical and unphysical fields. The effect of the non-renormalizable operators appears explicitly in triple or higher multiplicity vertices. In this mass basis we derive the complete set of Feynman rules, without resorting to any simplifying assumptions such as baryon-, lepton-number or CP conservation. As it turns out, for most SMEFT vertices the expressions are reasonably short, with a noticeable exception of those involving 4, 5 and 6 gluons. We have also supplemented our set of Feynman rules, given in an appendix here, with a publicly available Mathematica code working with the FeynRules package and producing output which can be integrated with other symbolic algebra or numerical codes for automatic SMEFT amplitude calculations.

Role of matter in extended quasidilaton massive gravity

NASA Astrophysics Data System (ADS)

Gümrükçüoǧlu, A. Emir; Koyama, Kazuya; Mukohyama, Shinji

2016-12-01

The extended quasidilaton theory is one of the simplest Lorentz-invariant massive gravity theories which can accommodate a stable self-accelerating vacuum solution. In this paper we revisit this theory and study the effect of matter fields. For a matter sector that couples minimally to the physical metric, we find hints of a Jeans type instability in the IR. In the analogue k-essence field setup, this instability manifests itself as an IR ghost for the scalar field perturbation, but this can be interpreted as a classical instability that becomes relevant below some momentum scale in terms of matter density perturbations. We also consider the effect of the background evolution influenced by matter on the stability of the gravity sector perturbations. In particular, we address the previous claims of ghost instability in the IR around the late time attractor. We show that, although the matter-induced modification of the evolution potentially brings tension to the stability conditions, one goes beyond the regime of validity of the effective theory well before the solutions become unstable. We also draw attention to the fact that the IR stability conditions are also enforced by the existence requirements of consistent background solutions.

Einstein gravity 3-point functions from conformal field theory

NASA Astrophysics Data System (ADS)

Afkhami-Jeddi, Nima; Hartman, Thomas; Kundu, Sandipan; Tajdini, Amirhossein

2017-12-01

We study stress tensor correlation functions in four-dimensional conformal field theories with large N and a sparse spectrum. Theories in this class are expected to have local holographic duals, so effective field theory in anti-de Sitter suggests that the stress tensor sector should exhibit universal, gravity-like behavior. At the linearized level, the hallmark of locality in the emergent geometry is that stress tensor three-point functions 〈 T T T 〉, normally specified by three constants, should approach a universal structure controlled by a single parameter as the gap to higher spin operators is increased. We demonstrate this phenomenon by a direct CFT calculation. Stress tensor exchange, by itself, violates causality and unitarity unless the three-point functions are carefully tuned, and the unique consistent choice exactly matches the prediction of Einstein gravity. Under some assumptions about the other potential contributions, we conclude that this structure is universal, and in particular, that the anomaly coefficients satisfy a ≈ c as conjectured by Camanho et al. The argument is based on causality of a four-point function, with kinematics designed to probe bulk locality, and invokes the chaos bound of Maldacena, Shenker, and Stanford.

Subliminal influence on preferences? A test of evaluative conditioning for brief visual conditioned stimuli using auditory unconditioned stimuli.

PubMed

Heycke, Tobias; Aust, Frederik; Stahl, Christoph

2017-09-01

In the field of evaluative conditioning (EC), two opposing theories-propositional single-process theory versus dual-process theory-are currently being discussed in the literature. The present set of experiments test a crucial prediction to adjudicate between these two theories: Dual-process theory postulates that evaluative conditioning can occur without awareness of the contingency between conditioned stimulus (CS) and unconditioned stimulus (US); in contrast, single-process propositional theory postulates that EC requires CS-US contingency awareness. In a set of three studies, we experimentally manipulate contingency awareness by presenting the CSs very briefly, thereby rendering it unlikely to be processed consciously. We address potential issues with previous studies on EC with subliminal or near-threshold CSs that limited their interpretation. Across two experiments, we consistently found an EC effect for CSs presented for 1000 ms and consistently failed to find an EC effect for briefly presented CSs. In a third pre-registered experiment, we again found evidence for an EC effect with CSs presented for 1000 ms, and we found some indication for an EC effect for CSs presented for 20 ms.

Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liang, Yufeng; Vinson, John; Pemmaraju, Sri

Constrained-occupancy delta-self-consistent-field (ΔSCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first principles. Using the two distinct approaches, we study the O 1s core excitations that have become increasingly important for characterizing transition-metal oxides and understanding strong electronic correlation. The ΔSCF approach, in its current single-particle form, systematically underestimates the pre-edge intensity for chosen oxides, despite its success in weakly correlated systems. By contrast, the Bethe-Salpeter equation within MBPT predicts much better line shapes. This motivates one to reexamine the many-electron dynamics of x-ray excitations. We find that the single-particle ΔSCF approach can bemore » rectified by explicitly calculating many-electron transition amplitudes, producing x-ray spectra in excellent agreement with experiments. This study paves the way to accurately predict x-ray near-edge spectral fingerprints for physics and materials science beyond the Bethe-Salpether equation.« less

Higher spin gravitational couplings: Ghosts in the Yang-Mills detour complex

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gover, A. R.; Hallowell, K.; Waldron, A.

2007-01-15

Gravitational interactions of higher spin fields are generically plagued by inconsistencies. There exists however, a simple framework that couples higher spins to a broad class of gravitational backgrounds (including Ricci flat and Einstein) consistently at the classical level. The model is the simplest example of a Yang-Mills detour complex and has broad mathematical applications, especially to conformal geometry. Even the simplest version of the theory, which couples gravitons, vectors and scalar fields in a flat background is rather rich, providing an explicit setting for detailed analysis of ghost excitations. Its asymptotic scattering states consist of a physical massless graviton, scalar,more » and massive vector along with a degenerate pair of zero norm photon excitations. Coherent states of the unstable sector do have positive norms, but their evolution is no longer unitary and amplitudes grow with time. The class of models proposed is extremely general and of considerable interest for ghost condensation and invariant theory.« less

Correlation functions of warped CFT

NASA Astrophysics Data System (ADS)

Song, Wei; Xu, Jianfei

2018-04-01

Warped conformal field theory (WCFT) is a two dimensional quantum field theory whose local symmetry algebra consists of a Virasoro algebra and a U(1) Kac-Moody algebra. In this paper, we study correlation functions for primary operators in WCFT. Similar to conformal symmetry, warped conformal symmetry is very constraining. The form of the two and three point functions are determined by the global warped conformal symmetry while the four point functions can be determined up to an arbitrary function of the cross ratio. The warped conformal bootstrap equation are constructed by formulating the notion of crossing symmetry. In the large central charge limit, four point functions can be decomposed into global warped conformal blocks, which can be solved exactly. Furthermore, we revisit the scattering problem in warped AdS spacetime (WAdS), and give a prescription on how to match the bulk result to a WCFT retarded Green's function. Our result is consistent with the conjectured holographic dualities between WCFT and WAdS.

Skew-flavored dark matter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agrawal, Prateek; Chacko, Zackaria; Fortes, Elaine C. F. S.

We explore a novel flavor structure in the interactions of dark matter with the Standard Model. We consider theories in which both the dark matter candidate, and the particles that mediate its interactions with the Standard Model fields, carry flavor quantum numbers. The interactions are skewed in flavor space, so that a dark matter particle does not directly couple to the Standard Model matter fields of the same flavor, but only to the other two flavors. This framework respects minimal flavor violation and is, therefore, naturally consistent with flavor constraints. We study the phenomenology of a benchmark model in whichmore » dark matter couples to right-handed charged leptons. In large regions of parameter space, the dark matter can emerge as a thermal relic, while remaining consistent with the constraints from direct and indirect detection. The collider signatures of this scenario include events with multiple leptons and missing energy. In conclusion, these events exhibit a characteristic flavor pattern that may allow this class of models to be distinguished from other theories of dark matter.« less

Skew-flavored dark matter

DOE PAGES

Agrawal, Prateek; Chacko, Zackaria; Fortes, Elaine C. F. S.; ...

2016-05-10

We explore a novel flavor structure in the interactions of dark matter with the Standard Model. We consider theories in which both the dark matter candidate, and the particles that mediate its interactions with the Standard Model fields, carry flavor quantum numbers. The interactions are skewed in flavor space, so that a dark matter particle does not directly couple to the Standard Model matter fields of the same flavor, but only to the other two flavors. This framework respects minimal flavor violation and is, therefore, naturally consistent with flavor constraints. We study the phenomenology of a benchmark model in whichmore » dark matter couples to right-handed charged leptons. In large regions of parameter space, the dark matter can emerge as a thermal relic, while remaining consistent with the constraints from direct and indirect detection. The collider signatures of this scenario include events with multiple leptons and missing energy. In conclusion, these events exhibit a characteristic flavor pattern that may allow this class of models to be distinguished from other theories of dark matter.« less

Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory

DOE PAGES

Liang, Yufeng; Vinson, John; Pemmaraju, Sri; ...

2017-03-03

Constrained-occupancy delta-self-consistent-field (ΔSCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first principles. Using the two distinct approaches, we study the O 1s core excitations that have become increasingly important for characterizing transition-metal oxides and understanding strong electronic correlation. The ΔSCF approach, in its current single-particle form, systematically underestimates the pre-edge intensity for chosen oxides, despite its success in weakly correlated systems. By contrast, the Bethe-Salpeter equation within MBPT predicts much better line shapes. This motivates one to reexamine the many-electron dynamics of x-ray excitations. We find that the single-particle ΔSCF approach can bemore » rectified by explicitly calculating many-electron transition amplitudes, producing x-ray spectra in excellent agreement with experiments. This study paves the way to accurately predict x-ray near-edge spectral fingerprints for physics and materials science beyond the Bethe-Salpether equation.« less

Theoretical exploration of competing phases of lattice Bose gases in a cavity

NASA Astrophysics Data System (ADS)

Liao, Renyuan; Chen, Huang-Jie; Zheng, Dong-Chen; Huang, Zhi-Gao

2018-01-01

We consider bosonic atoms loaded into optical lattices with cavity-mediated infinite-range interactions. Competing short- and global-range interactions cultivate a rich phase diagram. With a systematic field-theoretical perspective, we present an analytical construction of a global ground-state phase diagram. We find that the infinite-range interaction enhances the fluctuation of the number density. In the strong-coupling regime, we find four branches of elementary excitations, with two being "particlelike" and two being "holelike," and that the excitation gap becomes soft at the phase boundary between compressible phases and incompressible phases. We derive an effective theory describing compressible superfluid and supersolid states. To complement this perturbative study, we construct a self-consistent mean-field theory and find numerical results consistent with our theoretical analysis. We map out the phase diagram and find that a charge density wave may undergo a structure phase transition to a different charge density wave before it finally enters into the supersolid phase driven by increasing the hopping amplitude.

Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory.

PubMed

Liang, Yufeng; Vinson, John; Pemmaraju, Sri; Drisdell, Walter S; Shirley, Eric L; Prendergast, David

2017-03-03

Constrained-occupancy delta-self-consistent-field (ΔSCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first principles. Using the two distinct approaches, we study the O 1s core excitations that have become increasingly important for characterizing transition-metal oxides and understanding strong electronic correlation. The ΔSCF approach, in its current single-particle form, systematically underestimates the pre-edge intensity for chosen oxides, despite its success in weakly correlated systems. By contrast, the Bethe-Salpeter equation within MBPT predicts much better line shapes. This motivates one to reexamine the many-electron dynamics of x-ray excitations. We find that the single-particle ΔSCF approach can be rectified by explicitly calculating many-electron transition amplitudes, producing x-ray spectra in excellent agreement with experiments. This study paves the way to accurately predict x-ray near-edge spectral fingerprints for physics and materials science beyond the Bethe-Salpether equation.

Einstein-aether theory with a Maxwell field: General formalism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balakin, Alexander B., E-mail: Alexander.Balakin@kpfu.ru; Lemos, José P.S., E-mail: joselemos@ist.utl.pt

We extend the Einstein-aether theory to include the Maxwell field in a nontrivial manner by taking into account its interaction with the time-like unit vector field characterizing the aether. We also include a generic matter term. We present a model with a Lagrangian that includes cross-terms linear and quadratic in the Maxwell tensor, linear and quadratic in the covariant derivative of the aether velocity four-vector, linear in its second covariant derivative and in the Riemann tensor. We decompose these terms with respect to the irreducible parts of the covariant derivative of the aether velocity, namely, the acceleration four-vector, the shearmore » and vorticity tensors, and the expansion scalar. Furthermore, we discuss the influence of an aether non-uniform motion on the polarization and magnetization of the matter in such an aether environment, as well as on its dielectric and magnetic properties. The total self-consistent system of equations for the electromagnetic and the gravitational fields, and the dynamic equations for the unit vector aether field are obtained. Possible applications of this system are discussed. Based on the principles of effective field theories, we display in an appendix all the terms up to fourth order in derivative operators that can be considered in a Lagrangian that includes the metric, the electromagnetic and the aether fields.« less

Visco-Resistive MHD Modeling Benchmark of Forced Magnetic Reconnection

NASA Astrophysics Data System (ADS)

Beidler, M. T.; Hegna, C. C.; Sovinec, C. R.; Callen, J. D.; Ferraro, N. M.

2016-10-01

The presence of externally-applied 3D magnetic fields can affect important phenomena in tokamaks, including mode locking, disruptions, and edge localized modes. External fields penetrate into the plasma and can lead to forced magnetic reconnection (FMR), and hence magnetic islands, on resonant surfaces if the local plasma rotation relative to the external field is slow. Preliminary visco-resistive MHD simulations of FMR in a slab geometry are consistent with theory. Specifically, linear simulations exhibit proper scaling of the penetrated field with resistivity, viscosity, and flow, and nonlinear simulations exhibit a bifurcation from a flow-screened to a field-penetrated, magnetic island state as the external field is increased, due to the 3D electromagnetic force. These results will be compared to simulations of FMR in a circular cross-section, cylindrical geometry by way of a benchmark between the NIMROD and M3D-C1 extended-MHD codes. Because neither this geometry nor the MHD model has the physics of poloidal flow damping, the theory of will be expanded to include poloidal flow effects. The resulting theory will be tested with linear and nonlinear simulations that vary the resistivity, viscosity, flow, and external field. Supported by OFES DoE Grants DE-FG02-92ER54139, DE-FG02-86ER53218, DE-AC02-09CH11466, and the SciDAC Center for Extended MHD Modeling.

Hairy Lovelock black holes and Stueckelberg mechanism for Weyl symmetry

NASA Astrophysics Data System (ADS)

Chernicoff, Mariano; Giribet, Gaston; Oliva, Julio

2016-10-01

Lovelock theory of gravity -and, in particular, Einstein theory- admits black hole solutions that can be equipped with a hair by conformally coupling the theory to a real scalar field. This is a secondary hair, meaning that it does not endow the black hole with new quantum numbers. It rather consists of a non-trivial scalar field profile of fixed intensity which turns out to be regular everywhere outside and on the horizon and, provided the cosmological constant is negative, behaves at large distance in a way compatible with the Anti-de Sitter (AdS) asymptotic. In this paper, we review the main features of these hairy black hole solutions, such as their geometrical and thermodynamical properties. The conformal coupling to matter in dimension D > 4 in principle includes higher-curvature terms. These couplings are obtained from the Lovelock action through the Stueckelberg strategy. As a consequence, the resulting scalar-tensor theory exhibits a self-duality under field redefinition that resembles T-duality. Through this field redefinition, the matter content of the theory transforms into a Lovelock action for a dual geometry. Since the hairy black holes only exist for special relations between the dual Lovelock coupling constants, it is natural to compare those relations with the causality bounds coming from AdS/CFT. We observe that, while the lower causality bound is always obeyed, the upper causality bound is violated. The latter, however, is saturated in the large D limit.

Ground-state energies and highest occupied eigenvalues of atoms in exchange-only density-functional theory

NASA Astrophysics Data System (ADS)

Li, Yan; Harbola, Manoj K.; Krieger, J. B.; Sahni, Viraht

1989-11-01

The exchange-correlation potential of the Kohn-Sham density-functional theory has recently been interpreted as the work required to move an electron against the electric field of its Fermi-Coulomb hole charge distribution. In this paper we present self-consistent results for ground-state total energies and highest occupied eigenvalues of closed subshell atoms as obtained by this formalism in the exchange-only approximation. The total energies, which are an upper bound, lie within 50 ppm of Hartree-Fock theory for atoms heavier than Be. The highest occupied eigenvalues, as a consequence of this interpretation, approximate well the experimental ionization potentials. In addition, the self-consistently calculated exchange potentials are very close to those of Talman and co-workers [J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976); K. Aashamar, T. M. Luke, and J. D. Talman, At. Data Nucl. Data Tables 22, 443 (1978)].

Black holes with halos

NASA Astrophysics Data System (ADS)

Monten, Ruben; Toldo, Chiara

2018-02-01

We present new AdS4 black hole solutions in N =2 gauged supergravity coupled to vector and hypermultiplets. We focus on a particular consistent truncation of M-theory on the homogeneous Sasaki–Einstein seven-manifold M 111, characterized by the presence of one Betti vector multiplet. We numerically construct static and spherically symmetric black holes with electric and magnetic charges, corresponding to M2 and M5 branes wrapping non-contractible cycles of the internal manifold. The novel feature characterizing these nonzero temperature configurations is the presence of a massive vector field halo. Moreover, we verify the first law of black hole mechanics and we study the thermodynamics in the canonical ensemble. We analyze the behavior of the massive vector field condensate across the small-large black hole phase transition and we interpret the process in the dual field theory.

Density functional plus dynamical mean-field theory of the metal-insulator transition in early transition-metal oxides

NASA Astrophysics Data System (ADS)

Dang, Hung T.; Ai, Xinyuan; Millis, Andrew J.; Marianetti, Chris A.

2014-09-01

The combination of density functional theory and single-site dynamical mean-field theory, using both Hartree and full continuous-time quantum Monte Carlo impurity solvers, is used to study the metal-insulator phase diagram of perovskite transition-metal oxides of the form ABO3 with a rare-earth ion A =Sr, La, Y and transition metal B =Ti, V, Cr. The correlated subspace is constructed from atomiclike d orbitals defined using maximally localized Wannier functions derived from the full p-d manifold; for comparison, results obtained using a projector method are also given. Paramagnetic DFT + DMFT computations using full charge self-consistency along with the standard "fully localized limit" (FLL) double counting are shown to incorrectly predict that LaTiO3, YTiO3, LaVO3, and SrMnO3 are metals. A more general examination of the dependence of physical properties on the mean p-d energy splitting, the occupancy of the correlated d states, the double-counting correction, and the lattice structure demonstrates the importance of charge-transfer physics even in the early transition-metal oxides and elucidates the factors underlying the failure of the standard approximations. If the double counting is chosen to produce a p-d splitting consistent with experimental spectra, single-site dynamical mean-field theory provides a reasonable account of the materials properties. The relation of the results to those obtained from "d-only" models in which the correlation problem is based on the frontier orbital p-d antibonding bands is determined. It is found that if an effective interaction U is properly chosen the d-only model provides a good account of the physics of the d1 and d2 materials.

Holographically viable extensions of topologically massive and minimal massive gravity?

NASA Astrophysics Data System (ADS)

Altas, Emel; Tekin, Bayram

2016-01-01

Recently [E. Bergshoeff et al., Classical Quantum Gravity 31, 145008 (2014)], an extension of the topologically massive gravity (TMG) in 2 +1 dimensions, dubbed as minimal massive gravity (MMG), which is free of the bulk-boundary unitarity clash that inflicts the former theory and all the other known three-dimensional theories, was found. Field equations of MMG differ from those of TMG at quadratic terms in the curvature that do not come from the variation of an action depending on the metric alone. Here we show that MMG is a unique theory and there does not exist a deformation of TMG or MMG at the cubic and quartic order (and beyond) in the curvature that is consistent at the level of the field equations. The only extension of TMG with the desired bulk and boundary properties having a single massive degree of freedom is MMG.

Mott-Hubbard transition and Anderson localization: A generalized dynamical mean-field theory approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuchinskii, E. Z.; Nekrasov, I. A.; Sadovskii, M. V.

The DOS, the dynamic (optical) conductivity, and the phase diagram of a strongly correlated and strongly disordered paramagnetic Anderson-Hubbard model are analyzed within the generalized dynamical mean field theory (DMFT + {sigma} approximation). Strong correlations are taken into account by the DMFT, and disorder is taken into account via an appropriate generalization of the self-consistent theory of localization. The DMFT effective single-impurity problem is solved by a numerical renormalization group (NRG); we consider the three-dimensional system with a semielliptic DOS. The correlated metal, Mott insulator, and correlated Anderson insulator phases are identified via the evolution of the DOS and dynamicmore » conductivity, demonstrating both the Mott-Hubbard and Anderson metal-insulator transition and allowing the construction of the complete zero-temperature phase diagram of the Anderson-Hubbard model. Rather unusual is the possibility of a disorder-induced Mott insulator-to-metal transition.« less

Phase behavior of ternary polymer brushes

DOE PAGES

Simocko, Chester K.; Frischknecht, Amalie L.; Huber, Dale L.

2016-01-07

Ternary polymer brushes consisting of polystyrene, poly(methyl methacrylate), and poly(4-vinylpyridine) have been synthesized. These brushes laterally phase separate into several distinct phases and can be tailored by altering the relative polymer composition. Self-consistent field theory has been used to predict the phase diagram and model both the horizontal and vertical phase behavior of the polymer brushes. As a result, all phase behaviors observed experimentally correlate well with the theoretical model.

Quasi-parallel whistler mode waves observed by THEMIS during near-earth dipolarizations

NASA Astrophysics Data System (ADS)

Le Contel, O.; Roux, A.; Jacquey, C.; Robert, P.; Berthomier, M.; Chust, T.; Grison, B.; Angelopoulos, V.; Sibeck, D.; Chaston, C. C.; Cully, C. M.; Ergun, B.; Glassmeier, K.-H.; Auster, U.; McFadden, J.; Carlson, C.; Larson, D.; Bonnell, J. W.; Mende, S.; Russell, C. T.; Donovan, E.; Mann, I.; Singer, H.

2009-06-01

We report on quasi-parallel whistler emissions detected by the near-earth satellites of the THEMIS mission before, during, and after local dipolarization. These emissions are associated with an electron temperature anisotropy α=T⊥e/T||e>1 consistent with the linear theory of whistler mode anisotropy instability. When the whistler mode emissions are observed the measured electron anisotropy varies inversely with β||e (the ratio of the electron parallel pressure to the magnetic pressure) as predicted by Gary and Wang (1996). Narrow band whistler emissions correspond to the small α existing before dipolarization whereas the broad band emissions correspond to large α observed during and after dipolarization. The energy in the whistler mode is leaving the current sheet and is propagating along the background magnetic field, towards the Earth. A simple time-independent description based on the Liouville's theorem indicates that the electron temperature anisotropy decreases with the distance along the magnetic field from the equator. Once this variation of α is taken into account, the linear theory predicts an equatorial origin for the whistler mode. The linear theory is also consistent with the observed bandwidth of wave emissions. Yet, the anisotropy required to be fully consistent with the observations is somewhat larger than the measured one. Although the discrepancy remains within the instrumental error bars, this could be due to time-dependent effects which have been neglected. The possible role of the whistler waves in the substorm process is discussed.

f (R ,Rμν 2) at one loop

NASA Astrophysics Data System (ADS)

Ohta, N.; Percacci, R.; Pereira, A. D.

2018-05-01

We compute the one-loop divergences in a theory of gravity with a Lagrangian of the general form f (R ,Rμ νRμ ν), on an Einstein background. We also establish that the one-loop effective action is invariant under a duality that consists of changing certain parameters in the relation between the metric and the quantum fluctuation field. Finally, we discuss the unimodular version of such a theory and establish its equivalence at one-loop order with the general case.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Catterall, Simon; Veernala, Aarti

We construct a lattice theory with one exact supersymmetry which consists of fields transforming in both the adjoint and fundamental representations of a U(Nc) gauge group. In addition to gluons and gluinos, the theory contains Nf flavors of fermion in the fundamental representation along with their scalar partners and is invariant under a global U(Nf) flavor symmetry. The lattice action contains an additional Fayet-Iliopoulos term which can be used to generate a scalar potential. We perform numerical simulations that corroborate the theoretical expectation that supersymmetry is spontaneously broken for Nf

Theory of some laser noise effects.

NASA Technical Reports Server (NTRS)

Wang, Y. K.; Lamb, W. E., Jr.

1973-01-01

A simple version of the semiclassical theory is applied to the shot effect. Considerations of thermal noise reported by Lamb (1965) are extended to take into account amplitude fluctuations. The laser is considered to be a lossy cavity of the Fabry-Perot type in single-mode operation with a circular frequency driven by an inverted population of active atoms. The electric field is taken to be transverse to the cavity axis. The amplitude and phase are assumed to be slowly varying functions which satisfy two self-consistency equations.

Multisymplectic unified formalism for Einstein-Hilbert gravity

NASA Astrophysics Data System (ADS)

Gaset, Jordi; Román-Roy, Narciso

2018-03-01

We present a covariant multisymplectic formulation for the Einstein-Hilbert model of general relativity. As it is described by a second-order singular Lagrangian, this is a gauge field theory with constraints. The use of the unified Lagrangian-Hamiltonian formalism is particularly interesting when it is applied to these kinds of theories, since it simplifies the treatment of them, in particular, the implementation of the constraint algorithm, the retrieval of the Lagrangian description, and the construction of the covariant Hamiltonian formalism. In order to apply this algorithm to the covariant field equations, they must be written in a suitable geometrical way, which consists of using integrable distributions, represented by multivector fields of a certain type. We apply all these tools to the Einstein-Hilbert model without and with energy-matter sources. We obtain and explain the geometrical and physical meaning of the Lagrangian constraints and we construct the multimomentum (covariant) Hamiltonian formalisms in both cases. As a consequence of the gauge freedom and the constraint algorithm, we see how this model is equivalent to a first-order regular theory, without gauge freedom. In the case of the presence of energy-matter sources, we show how some relevant geometrical and physical characteristics of the theory depend on the type of source. In all the cases, we obtain explicitly multivector fields which are solutions to the gravitational field equations. Finally, a brief study of symmetries and conservation laws is done in this context.

Polarizable polymer chain under external electric field: Effects of many-body electrostatic dipole correlations.

PubMed

Budkov, Yu A; Kolesnikov, A L

2016-11-01

We present a new simple self-consistent field theory of a polarizable flexible polymer chain under an external constant electric field with account for the many-body electrostatic dipole correlations. We show the effects of electrostatic dipole correlations on the electric-field-induced globule-coil transition. We demonstrate that only when the polymer chain is in the coil conformation, the electrostatic dipole correlations of monomers can be considered as pairwise. However, when the polymer chain is in a collapsed state, the dipole correlations have to be considered at the many-body level.

Density functional theory for polymeric systems in 2D.

PubMed

Słyk, Edyta; Roth, Roland; Bryk, Paweł

2016-06-22

We propose density functional theory for polymeric fluids in two dimensions. The approach is based on Wertheim's first order thermodynamic perturbation theory (TPT) and closely follows density functional theory for polymers proposed by Yu and Wu (2002 J. Chem. Phys. 117 2368). As a simple application we evaluate the density profiles of tangent hard-disk polymers at hard walls. The theoretical predictions are compared against the results of the Monte Carlo simulations. We find that for short chain lengths the theoretical density profiles are in an excellent agreement with the Monte Carlo data. The agreement is less satisfactory for longer chains. The performance of the theory can be improved by recasting the approach using the self-consistent field theory formalism. When the self-avoiding chain statistics is used, the theory yields a marked improvement in the low density limit. Further improvements for long chains could be reached by going beyond the first order of TPT.

Self-Consistent Field Theories for the Role of Large Length-Scale Architecture in Polymers

NASA Astrophysics Data System (ADS)

Wu, David

At large length-scales, the architecture of polymers can be described by a coarse-grained specification of the distribution of branch points and monomer types within a molecule. This includes molecular topology (e.g., cyclic or branched) as well as distances between branch points or chain ends. Design of large length-scale molecular architecture is appealing because it offers a universal strategy, independent of monomer chemistry, to tune properties. Non-linear analogs of linear chains differ in molecular-scale properties, such as mobility, entanglements, and surface segregation in blends that are well-known to impact rheological, dynamical, thermodynamic and surface properties including adhesion and wetting. We have used Self-Consistent Field (SCF) theories to describe a number of phenomena associated with large length-scale polymer architecture. We have predicted the surface composition profiles of non-linear chains in blends with linear chains. These predictions are in good agreement with experimental results, including from neutron scattering, on a range of well-controlled branched (star, pom-pom and end-branched) and cyclic polymer architectures. Moreover, the theory allows explanation of the segregation and conformations of branched polymers in terms of effective surface potentials acting on the end and branch groups. However, for cyclic chains, which have no end or junction points, a qualitatively different topological mechanism based on conformational entropy drives cyclic chains to a surface, consistent with recent neutron reflectivity experiments. We have also used SCF theory to calculate intramolecular and intermolecular correlations for polymer chains in the bulk, dilute solution, and trapped at a liquid-liquid interface. Predictions of chain swelling in dilute star polymer solutions compare favorably with existing PRISM theory and swelling at an interface helps explain recent measurements of chain mobility at an oil-water interface. In collaboration with: Renfeng Hu, Colorado School of Mines, and Mark Foster, University of Akron. This work was supported by NSF Grants No. CBET- 0730692 and No. CBET-0731319.

Lithofacies identification using multiple adaptive resonance theory neural networks and group decision expert system

USGS Publications Warehouse

Chang, H.-C.; Kopaska-Merkel, D. C.; Chen, H.-C.; Rocky, Durrans S.

2000-01-01

Lithofacies identification supplies qualitative information about rocks. Lithofacies represent rock textures and are important components of hydrocarbon reservoir description. Traditional techniques of lithofacies identification from core data are costly and different geologists may provide different interpretations. In this paper, we present a low-cost intelligent system consisting of three adaptive resonance theory neural networks and a rule-based expert system to consistently and objectively identify lithofacies from well-log data. The input data are altered into different forms representing different perspectives of observation of lithofacies. Each form of input is processed by a different adaptive resonance theory neural network. Among these three adaptive resonance theory neural networks, one neural network processes the raw continuous data, another processes categorial data, and the third processes fuzzy-set data. Outputs from these three networks are then combined by the expert system using fuzzy inference to determine to which facies the input data should be assigned. Rules are prioritized to emphasize the importance of firing order. This new approach combines the learning ability of neural networks, the adaptability of fuzzy logic, and the expertise of geologists to infer facies of the rocks. This approach is applied to the Appleton Field, an oil field located in Escambia County, Alabama. The hybrid intelligence system predicts lithofacies identity from log data with 87.6% accuracy. This prediction is more accurate than those of single adaptive resonance theory networks, 79.3%, 68.0% and 66.0%, using raw, fuzzy-set, and categorical data, respectively, and by an error-backpropagation neural network, 57.3%. (C) 2000 Published by Elsevier Science Ltd. All rights reserved.

A study of how the particle spectra of SU(N) gauge theories with a fundamental Higgs emerge

NASA Astrophysics Data System (ADS)

Törek, Pascal; Maas, Axel; Sondenheimer, René

2018-03-01

In gauge theories, the physical, experimentally observable spectrum consists only of gauge-invariant states. In the standard model the Fröhlich-Morchio-Strocchi mechanism shows that these states can be adequately mapped to the gauge-dependent elementary W, Z, Higgs, and fermions. In theories with a more general gauge group and Higgs sector, appearing in various extensions of the standard model, this has not to be the case. In this work we determine analytically the physical spectrum of SU(N > 2) gauge theories with a Higgs field in the fundamental representation. We show that discrepancies between the spectrum predicted by perturbation theory and the observable physical spectrum arise. We confirm these analytic findings with lattice simulations for N = 3.

Sneutrino Inflation with α-attractors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kallosh, Renata; Linde, Andrei; Roest, Diederik

2016-11-22

Sneutrino inflation employs the fermionic partners of the inflaton and stabilizer field as right-handed neutrinos to realize the seesaw mechanism for light neutrino masses. We show that one can improve the latest version of this scenario and its consistency with the Planck data by embedding it in the theory of cosmological α-attractors.

Curriculum Guide for Electronics in Technology Education.

ERIC Educational Resources Information Center

Connecticut Industrial Technology Association.

Consistent with the principles of the Connecticut Common Core of Learning, this competency-based curriculum guide for electronics provides a reference guide for educators to research and prepare for teaching the field of electronics. The guide contains 22 units that cover the following topics: theory of matter; safety; direct current; magnetism;…

'Constraint consistency' at all orders in cosmological perturbation theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nandi, Debottam; Shankaranarayanan, S., E-mail: debottam@iisertvm.ac.in, E-mail: shanki@iisertvm.ac.in

2015-08-01

We study the equivalence of two—order-by-order Einstein's equation and Reduced action—approaches to cosmological perturbation theory at all orders for different models of inflation. We point out a crucial consistency check which we refer to as 'Constraint consistency' condition that needs to be satisfied in order for the two approaches to lead to identical single variable equation of motion. The method we propose here is quick and efficient to check the consistency for any model including modified gravity models. Our analysis points out an important feature which is crucial for inflationary model building i.e., all 'constraint' inconsistent models have higher ordermore » Ostrogradsky's instabilities but the reverse is not true. In other words, one can have models with constraint Lapse function and Shift vector, though it may have Ostrogradsky's instabilities. We also obtain single variable equation for non-canonical scalar field in the limit of power-law inflation for the second-order perturbed variables.« less

Meshless analysis of shear deformable shells: the linear model

NASA Astrophysics Data System (ADS)

Costa, Jorge C.; Tiago, Carlos M.; Pimenta, Paulo M.

2013-10-01

This work develops a kinematically linear shell model departing from a consistent nonlinear theory. The initial geometry is mapped from a flat reference configuration by a stress-free finite deformation, after which, the actual shell motion takes place. The model maintains the features of a complete stress-resultant theory with Reissner-Mindlin kinematics based on an inextensible director. A hybrid displacement variational formulation is presented, where the domain displacements and kinematic boundary reactions are independently approximated. The resort to a flat reference configuration allows the discretization using 2-D Multiple Fixed Least-Squares (MFLS) on the domain. The consistent definition of stress resultants and consequent plane stress assumption led to a neat formulation for the analysis of shells. The consistent linear approximation, combined with MFLS, made possible efficient computations with a desired continuity degree, leading to smooth results for the displacement, strain and stress fields, as shown by several numerical examples.

A thermostatted kinetic theory model for event-driven pedestrian dynamics

NASA Astrophysics Data System (ADS)

Bianca, Carlo; Mogno, Caterina

2018-06-01

This paper is devoted to the modeling of the pedestrian dynamics by means of the thermostatted kinetic theory. Specifically the microscopic interactions among pedestrians and an external force field are modeled for simulating the evacuation of pedestrians from a metro station. The fundamentals of the stochastic game theory and the thermostatted kinetic theory are coupled for the derivation of a specific mathematical model which depicts the time evolution of the distribution of pedestrians at different exits of a metro station. The perturbation theory is employed in order to establish the stability analysis of the nonequilibrium stationary states in the case of a metro station consisting of two exits. A general sensitivity analysis on the initial conditions, the magnitude of the external force field and the number of exits is presented by means of numerical simulations which, in particular, show how the asymptotic distribution and the convergence time are affected by the presence of an external force field. The results show how, in evacuation conditions, the interaction dynamics among pedestrians can be negligible with respect to the external force. The important role of the thermostat term in allowing the reaching of the nonequilibrium stationary state is stressed out. Research perspectives are underlined at the end of paper, in particular for what concerns the derivation of frameworks that take into account the definition of local external actions and the introduction of the space and velocity dynamics.

Time-dependent observables in heavy ion collisions. Part II. In search of pressure isotropization in the φ 4 theory

NASA Astrophysics Data System (ADS)

Kovchegov, Yuri V.; Wu, Bin

2018-03-01

To understand the dynamics of thermalization in heavy ion collisions in the perturbative framework it is essential to first find corrections to the free-streaming classical gluon fields of the McLerran-Venugopalan model. The corrections that lead to deviations from free streaming (and that dominate at late proper time) would provide evidence for the onset of isotropization (and, possibly, thermalization) of the produced medium. To find such corrections we calculate the late-time two-point Green function and the energy-momentum tensor due to a single 2 → 2 scattering process involving two classical fields. To make the calculation tractable we employ the scalar φ 4 theory instead of QCD. We compare our exact diagrammatic results for these quantities to those in kinetic theory and find disagreement between the two. The disagreement is in the dependence on the proper time τ and, for the case of the two-point function, is also in the dependence on the space-time rapidity η: the exact diagrammatic calculation is, in fact, consistent with the free streaming scenario. Kinetic theory predicts a build-up of longitudinal pressure, which, however, is not observed in the exact calculation. We conclude that we find no evidence for the beginning of the transition from the free-streaming classical fields to the kinetic theory description of the produced matter after a single 2 → 2 rescattering.

Selected Topics in Light Front Field Theory and Applications to the High Energy Phenomena

NASA Astrophysics Data System (ADS)

Kundu, Rajen

1999-10-01

In this thesis, we have presented some of the aspects of light-front (LF) field theory through their successful application in the Deep Inelastic Scattering (DIS). We have developed a LFQCD Hamiltonian description of the DIS structure functions starting from Bjorken-Johnson-Low limit of virtual forward Compton scattering amplitude and using LF current commutators. We worked in the LF gauge A^+=0 and used the old-fashioned LFQCD perturbation theory in our calculations. The importance of our work are summarized below. Our approach shares the intution of parton model and addresses directly the structure functions, which are experimental objects, instead of its moments as in OPE method. Moreover, it can potentially incorporate the non-perturbative contents of the structure functions as we have demonstrated by introducing a new factorization scheme. In the context of nucleonic helicity structure, the well known gauge fixed LF helicity operator is shown to provide consistent physical information and helps us defining new relevant structure functions. The anomalous dimensions relevant for the Q^2-evolution of such structure functions are calculated. Our study is important in establishing the equivalance of LF field theory and the usual equal-time one through perturbative calculations of the dressed parton structure functions reproducing the well known results. Also the importance of Gallilean boost symmetry in understanding the correctness of any higher order calculation using (x^+)-ordered LFQCD perturbation theory are emphasized.

Ab initio quantum chemistry: methodology and applications.

PubMed

Friesner, Richard A

2005-05-10

This Perspective provides an overview of state-of-the-art ab initio quantum chemical methodology and applications. The methods that are discussed include coupled cluster theory, localized second-order Moller-Plesset perturbation theory, multireference perturbation approaches, and density functional theory. The accuracy of each approach for key chemical properties is summarized, and the computational performance is analyzed, emphasizing significant advances in algorithms and implementation over the past decade. Incorporation of a condensed-phase environment by means of mixed quantum mechanical/molecular mechanics or self-consistent reaction field techniques, is presented. A wide range of illustrative applications, focusing on materials science and biology, are discussed briefly.

Time-domain self-consistent theory of frequency-locking regimes in gyrotrons with low-Q resonators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ginzburg, N. S., E-mail: ginzburg@appl.sci-nnov.ru; Nizhny Novgorod State University, 603950, gagarin av., 23, Nizhny Novgorod; Sergeev, A. S.

2015-03-15

A time-domain theory of frequency-locking gyrotron oscillators with low-Q resonators has been developed. The presented theory is based on the description of wave propagation by a parabolic equation taking into account the external signal by modification of boundary conditions. We show that the developed model can be effectively used for simulations of both single- and multi-mode operation regimes in gyrotrons driven by an external signal. For the case of low-Q resonators typical for powerful gyrotrons, the external signal can influence the axial field profile inside the interaction space significantly and, correspondingly, the value of the electron orbital efficiency.

Gravitational matter-antimatter asymmetry and four-dimensional Yang-Mills gauge symmetry

NASA Technical Reports Server (NTRS)

Hsu, J. P.

1981-01-01

A formulation of gravity based on the maximum four-dimensional Yang-Mills gauge symmetry is studied. The theory predicts that the gravitational force inside matter (fermions) is different from that inside antimatter. This difference could lead to the cosmic separation of matter and antimatter in the evolution of the universe. Moreover, a new gravitational long-range spin-force between two fermions is predicted, in addition to the usual Newtonian force. The geometrical foundation of such a gravitational theory is the Riemann-Cartan geometry, in which there is a torsion. The results of the theory for weak fields are consistent with previous experiments.

A note on the WGC, effective field theory and clockwork within string theory

NASA Astrophysics Data System (ADS)

Ibáñez, Luis E.; Montero, Miguel

2018-02-01

It has been recently argued that Higgsing of theories with U(1) n gauge interactions consistent with the Weak Gravity Conjecture (WGC) may lead to effective field theories parametrically violating WGC constraints. The minimal examples typically involve Higgs scalars with a large charge with respect to a U(1) (e.g. charges ( Z, 1) in U(1)2 with Z ≫ 1). This type of Higgs multiplets play also a key role in clockwork U(1) theories. We study these issues in the context of heterotic string theory and find that, even if there is no new physics at the standard magnetic WGC scale Λ ˜ g IR M P , the string scale is just slightly above, at a scale ˜ √{k_{IR}}Λ. Here k IR is the level of the IR U(1) worldsheet current. We show that, unlike the standard magnetic cutoff, this bound is insensitive to subsequent Higgsing. One may argue that this constraint gives rise to no bound at the effective field theory level since k IR is model dependent and in general unknown. However there is an additional constraint to be taken into account, which is that the Higgsing scalars with large charge Z should be part of the string massless spectrum, which becomes an upper bound k IR ≤ k 0 2 , where k 0 is the level of the UV currents. Thus, for fixed k 0, Z cannot be made parametrically large. The upper bound on the charges Z leads to limitations on the size and structure of hierarchies in an iterated U(1) clockwork mechanism.

The Kerr/CFT correspondence

NASA Astrophysics Data System (ADS)

Guica, Monica; Hartman, Thomas; Song, Wei; Strominger, Andrew

2009-12-01

Quantum gravity in the region very near the horizon of an extreme Kerr black hole (whose angular momentum and mass are related by J=GM2) is considered. It is shown that consistent boundary conditions exist, for which the asymptotic symmetry generators form one copy of the Virasoro algebra with central charge cL=(12J)/(ℏ). This implies that the near-horizon quantum states can be identified with those of (a chiral half of) a two-dimensional conformal field theory (CFT). Moreover, in the extreme limit, the Frolov-Thorne vacuum state reduces to a thermal density matrix with dimensionless temperature TL=(1)/(2π) and conjugate energy given by the zero mode generator, L0, of the Virasoro algebra. Assuming unitarity, the Cardy formula then gives a microscopic entropy Smicro=(2πJ)/(ℏ) for the CFT, which reproduces the macroscopic Bekenstein-Hawking entropy Smacro=(Area)/(4ℏG). The results apply to any consistent unitary quantum theory of gravity with a Kerr solution. We accordingly conjecture that extreme Kerr black holes are holographically dual to a chiral two-dimensional conformal field theory with central charge cL=(12J)/(ℏ), and, in particular, that the near-extreme black hole GRS 1915+105 is approximately dual to a CFT with cL˜2×1079.

Computing sextic centrifugal distortion constants by DFT: A benchmark analysis on halogenated compounds

NASA Astrophysics Data System (ADS)

Pietropolli Charmet, Andrea; Stoppa, Paolo; Tasinato, Nicola; Giorgianni, Santi

2017-05-01

This work presents a benchmark study on the calculation of the sextic centrifugal distortion constants employing cubic force fields computed by means of density functional theory (DFT). For a set of semi-rigid halogenated organic compounds several functionals (B2PLYP, B3LYP, B3PW91, M06, M06-2X, O3LYP, X3LYP, ωB97XD, CAM-B3LYP, LC-ωPBE, PBE0, B97-1 and B97-D) were used for computing the sextic centrifugal distortion constants. The effects related to the size of basis sets and the performances of hybrid approaches, where the harmonic data obtained at higher level of electronic correlation are coupled with cubic force constants yielded by DFT functionals, are presented and discussed. The predicted values were compared to both the available data published in the literature and those obtained by calculations carried out at increasing level of electronic correlation: Hartree-Fock Self Consistent Field (HF-SCF), second order Møller-Plesset perturbation theory (MP2), and coupled-cluster single and double (CCSD) level of theory. Different hybrid approaches, having the cubic force field computed at DFT level of theory coupled to harmonic data computed at increasing level of electronic correlation (up to CCSD level of theory augmented by a perturbational estimate of the effects of connected triple excitations, CCSD(T)) were considered. The obtained results demonstrate that they can represent reliable and computationally affordable methods to predict sextic centrifugal terms with an accuracy almost comparable to that yielded by the more expensive anharmonic force fields fully computed at MP2 and CCSD levels of theory. In view of their reduced computational cost, these hybrid approaches pave the route to the study of more complex systems.

Analytical theory of neutral current sheets with a sheared magnetic field in collisionless relativistic plasma

NASA Astrophysics Data System (ADS)

Kocharovsky, V. V.; Kocharovsky, Vl V.; Martyanov, V. Yu; Nechaev, A. A.

2017-12-01

We derive and describe analytically a new wide class of self-consistent magnetostatic structures with sheared field lines and arbitrary energy distributions of particles. To do so we analyze superpositions of two planar current sheets with orthogonal magnetic fields and cylindrically symmetric momentum distribution functions, such that the magnetic field of one of them is directed along the symmetry axis of the distribution function of the other. These superpositions satisfy the pressure balance equation and allow one to construct configurations with an almost arbitrarily sheared magnetic field. We show that most of previously known current sheet families with sheared magnetic field lines are included in this novel class.

A Lie based 4-dimensional higher Chern-Simons theory

NASA Astrophysics Data System (ADS)

Zucchini, Roberto

2016-05-01

We present and study a model of 4-dimensional higher Chern-Simons theory, special Chern-Simons (SCS) theory, instances of which have appeared in the string literature, whose symmetry is encoded in a skeletal semistrict Lie 2-algebra constructed from a compact Lie group with non discrete center. The field content of SCS theory consists of a Lie valued 2-connection coupled to a background closed 3-form. SCS theory enjoys a large gauge and gauge for gauge symmetry organized in an infinite dimensional strict Lie 2-group. The partition function of SCS theory is simply related to that of a topological gauge theory localizing on flat connections with degree 3 second characteristic class determined by the background 3-form. Finally, SCS theory is related to a 3-dimensional special gauge theory whose 2-connection space has a natural symplectic structure with respect to which the 1-gauge transformation action is Hamiltonian, the 2-curvature map acting as moment map.

On the monogamy of holographic n -partite information

NASA Astrophysics Data System (ADS)

Mirabi, S.; Tanhayi, M. Reza; Vazirian, R.

2016-05-01

We investigate the monogamy of holographic n -partite information for a system consisting of n disjoint parallel strips with the same width and separation in AdS and AdS black brane geometries. More precisely, we study the sign of this quantity, e.g., for n =4 , 5, in various dimensions and for different parameters. Our results show that for quantum field theories with holographic duals, the holographic 4-partite information is always positive, and the sign of holographic 5-partite information is found to be negative in the dual strongly coupled 1 +1 dimensional conformal field theory. This latter result indicates that the holographic 4-partite information is monogamous. We also find the critical points corresponding to the possible phase transitions of these quantities.

BRST symmetry for a torus knot

NASA Astrophysics Data System (ADS)

Pandey, Vipul Kumar; Prasad Mandal, Bhabani

2017-08-01

We develop BRST symmetry for the first time for a particle on the surface of a torus knot by analyzing the constraints of the system. The theory contains 2nd-class constraints and has been extended by introducing the Wess-Zumino term to convert it into a theory with first-class constraints. BFV analysis of the extended theory is performed to construct BRST/anti-BRST symmetries for the particle on a torus knot. The nilpotent BRST/anti-BRST charges which generate such symmetries are constructed explicitly. The states annihilated by these nilpotent charges consist of the physical Hilbert space. We indicate how various effective theories on the surface of the torus knot are related through the generalized version of the BRST transformation with finite-field-dependent parameters.

Examining corporate reputation judgments with generalizability theory.

PubMed

Highhouse, Scott; Broadfoot, Alison; Yugo, Jennifer E; Devendorf, Shelba A

2009-05-01

The researchers used generalizability theory to examine whether reputation judgments about corporations function in a manner consistent with contemporary theory in the corporate-reputation literature. University professors (n = 86) of finance, marketing, and human resources management made repeated judgments about the general reputations of highly visible American companies. Minimal variability in the judgments is explained by items, time, persons, and field of specialization. Moreover, experts from the different specializations reveal considerable agreement in how they weigh different aspects of corporate performance in arriving at their global reputation judgments. The results generally support the theory of the reputation construct and suggest that stable estimates of global reputation can be achieved with a small number of items and experts. (c) 2009 APA, all rights reserved.

General results for higher spin Wilson lines and entanglement in Vasiliev theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hegde, Ashwin; Kraus, Per; Perlmutter, Eric

Here, we develop tools for the efficient evaluation of Wilson lines in 3D higher spin gravity, and use these to compute entanglement entropy in the hs[λ ] Vasiliev theory that governs the bulk side of the duality proposal of Gaberdiel and Gopakumar. Our main technical advance is the determination of SL(N) Wilson lines for arbitrary N, which, in suitable cases, enables us to analytically continue to hs[λ ] via N→ -λ. We then apply this result to compute various quantities of interest, including entanglement entropy expanded perturbatively in the background higher spin charge, chemical potential, and interval size. This includesmore » a computation of entanglement entropy in the higher spin black hole of the Vasiliev theory. Our results are consistent with conformal field theory calculations. We also provide an alternative derivation of the Wilson line, by showing how it arises naturally from earlier work on scalar correlators in higher spin theory. The general picture that emerges is consistent with the statement that the SL(N) Wilson line computes the semiclassical W N vacuum block, and our results provide an explicit result for this object.« less

General results for higher spin Wilson lines and entanglement in Vasiliev theory

DOE PAGES

Hegde, Ashwin; Kraus, Per; Perlmutter, Eric

2016-01-28

Here, we develop tools for the efficient evaluation of Wilson lines in 3D higher spin gravity, and use these to compute entanglement entropy in the hs[λ ] Vasiliev theory that governs the bulk side of the duality proposal of Gaberdiel and Gopakumar. Our main technical advance is the determination of SL(N) Wilson lines for arbitrary N, which, in suitable cases, enables us to analytically continue to hs[λ ] via N→ -λ. We then apply this result to compute various quantities of interest, including entanglement entropy expanded perturbatively in the background higher spin charge, chemical potential, and interval size. This includesmore » a computation of entanglement entropy in the higher spin black hole of the Vasiliev theory. Our results are consistent with conformal field theory calculations. We also provide an alternative derivation of the Wilson line, by showing how it arises naturally from earlier work on scalar correlators in higher spin theory. The general picture that emerges is consistent with the statement that the SL(N) Wilson line computes the semiclassical W N vacuum block, and our results provide an explicit result for this object.« less

Polymer-induced forces at interfaces

NASA Astrophysics Data System (ADS)

Rangarajan, Murali

This dissertation concerns studies of forces generated by confined and physisorbed flexible polymers using lattice mean-field theories, and those generated by confined and clamped semiflexible polymers modeled as slender elastic rods. Lattice mean-field theories have been used in understanding and predicting the behavior of polymeric interfacial systems. In order to efficiently tailor such systems for various applications of interest, one has to understand the forces generated in the interface due to the polymer molecules. The present work examines the abilities and limitations of lattice mean-field theories in predicting the structure of physisorbed polymer layers and the resultant forces. Within the lattice mean-field theory, a definition of normal force of compression as the negative derivative of the partition-function-based excess free energy with surface separation gives misleading results because the theory does not explicitly account for the normal stresses involved in the system. Correct expressions for normal and tangential forces are obtained from a continuum-mechanics-based formulation. Preliminary comparisons with lattice Monte Carlo simulations show that mean-field theories fail to predict significant attractive forces when the surfaces are undersaturated, as one would expect. The corrections to the excluded volume (non-reversal chains) and the mean-field (anisotropic field) approximations improve the predictions of layer structure, but not the forces. Bending of semiflexible polymer chains (elastic rods) is considered for two boundary conditions---where the chain is hinged on both ends and where the chain is clamped on one end and hinged on the other. For the former case, the compressive forces and chain shapes obtained are consistent with the inflexional elastica published by Love. For the latter, multiple and higher-order solutions are observed for the hinged-end position for a given force. Preliminary studies are conducted on actin-based motility of Listeria monocytogenes by treating actin filaments as elastic rods, using the actoclampin model. The results show qualitative agreement with calculations where the filaments are modeled as Hookean springs. The feasibility of the actoclampin model to address long length-scale rotation of Listeria during actin-based motility is addressed.

Trends in Gender Segregation in the Choice of Science and Engineering Majors*

PubMed Central

Mann, Allison; DiPrete, Thomas A.

2013-01-01

Numerous theories have been put forward for the high and continuing levels of gender segregation in science, technology, engineering, and mathematics (STEM) fields, but research has not systematically examined the extent to which these theories for the gender gap are consistent with actual trends. Using both administrative data and four separate longitudinal studies sponsored by the U.S. Department of Education’s National Center for Education Statistics (NCES), we evaluate several prominent explanations for the persisting gender gap in STEM fields related to mathematics performance and background and general life goals, and find that none of them are empirically satisfactory. Instead, we suggest that the structure of majors and their linkages to professional training and careers may combine with gender differences in educational goals to influence the persisting gender gap in STEM fields. An analysis of gendered career aspirations, course-taking patterns, and pathways to medical and law school supports this explanation. PMID:24090849

Correlation Factors Describing Primary and Spatial Sensations of Sound Fields

NASA Astrophysics Data System (ADS)

ANDO, Y.

2002-11-01

The theory of subjective preference of the sound field in a concert hall is established based on the model of human auditory-brain system. The model consists of the autocorrelation function (ACF) mechanism and the interaural crosscorrelation function (IACF) mechanism for signals arriving at two ear entrances, and the specialization of human cerebral hemispheres. This theory can be developed to describe primary sensations such as pitch or missing fundamental, loudness, timbre and, in addition, duration sensation which is introduced here as a fourth. These four primary sensations may be formulated by the temporal factors extracted from the ACF associated with the left hemisphere and, spatial sensations such as localization in the horizontal plane, apparent source width and subjective diffuseness are described by the spatial factors extracted from the IACF associated with the right hemisphere. Any important subjective responses of sound fields may be described by both temporal and spatial factors.

Classical geometry to quantum behavior correspondence in a virtual extra dimension

NASA Astrophysics Data System (ADS)

Dolce, Donatello

2012-09-01

In the Lorentz invariant formalism of compact space-time dimensions the assumption of periodic boundary conditions represents a consistent semi-classical quantization condition for relativistic fields. In Dolce (2011) [18] we have shown, for instance, that the ordinary Feynman path integral is obtained from the interference between the classical paths with different winding numbers associated with the cyclic dynamics of the field solutions. By means of the boundary conditions, the kinematical information of interactions can be encoded on the relativistic geometrodynamics of the boundary, see Dolce (2012) [8]. Furthermore, such a purely four-dimensional theory is manifestly dual to an extra-dimensional field theory. The resulting correspondence between extra-dimensional geometrodynamics and ordinary quantum behavior can be interpreted in terms of AdS/CFT correspondence. By applying this approach to a simple Quark-Gluon-Plasma freeze-out model we obtain fundamental analogies with basic aspects of AdS/QCD phenomenology.

Some solutions for one of the cosmological constant problems

NASA Astrophysics Data System (ADS)

Nojiri, Shin'Ichi

2016-11-01

We propose several covariant models which may solve one of the problems in the cosmological constant. One of the models can be regarded as an extension of sequestering model. Other models could be regarded as extensions of the covariant formulation of the unimodular gravity. The contributions to the vacuum energy from the quantum corrections from the matters are absorbed into a redefinition of a scalar field and the quantum corrections become irrelevant to the dynamics. In a class of the extended unimodular gravity models, we also consider models which are regarded as topological field theories. The models can be extended and not only the vacuum energy but also any quantum corrections to the gravitational action could become irrelevant for the dynamics. We find, however, that the BRS symmetry in the topological field theories is broken spontaneously and therefore, the models might not be consistent.

General Second-Order Scalar-Tensor Theory and Self-Tuning

NASA Astrophysics Data System (ADS)

Charmousis, Christos; Copeland, Edmund J.; Padilla, Antonio; Saffin, Paul M.

2012-02-01

Starting from the most general scalar-tensor theory with second-order field equations in four dimensions, we establish the unique action that will allow for the existence of a consistent self-tuning mechanism on Friedmann-Lemaître-Robertson-Walker backgrounds, and show how it can be understood as a combination of just four base Lagrangians with an intriguing geometric structure dependent on the Ricci scalar, the Einstein tensor, the double dual of the Riemann tensor, and the Gauss-Bonnet combination. Spacetime curvature can be screened from the net cosmological constant at any given moment because we allow the scalar field to break Poincaré invariance on the self-tuning vacua, thereby evading the Weinberg no-go theorem. We show how the four arbitrary functions of the scalar field combine in an elegant way opening up the possibility of obtaining nontrivial cosmological solutions.

Persistent spin helix manipulation by optical doping of a CdTe quantum well

NASA Astrophysics Data System (ADS)

Passmann, F.; Anghel, S.; Tischler, T.; Poshakinskiy, A. V.; Tarasenko, S. A.; Karczewski, G.; Wojtowicz, T.; Bristow, A. D.; Betz, M.

2018-05-01

Time-resolved Kerr-rotation microscopy explores the influence of optical doping on the persistent spin helix in a [001]-grown CdTe quantum well at cryogenic temperatures. Electron spin-diffusion dynamics reveal a momentum-dependent effective magnetic field providing SU(2) spin-rotation symmetry, consistent with kinetic theory. The Dresselhaus and Rashba spin-orbit coupling parameters are extracted independently from rotating the spin helix with external magnetic fields applied parallel and perpendicular to the effective magnetic field. Most importantly, a nonuniform spatiotemporal precession pattern is observed. The kinetic-theory framework of spin diffusion allows for modeling of this finding by incorporating the photocarrier density into the Rashba (α) and the Dresselhaus (β3) parameters. Corresponding calculations are further validated by an excitation-density-dependent measurement. This work shows universality of the persistent spin helix by its observation in a II-VI compound and the ability to fine-tune it by optical doping.

A Hybrid Density Functional Theory/Molecular Mechanics Approach for Linear Response Properties in Heterogeneous Environments.

PubMed

Rinkevicius, Zilvinas; Li, Xin; Sandberg, Jaime A R; Mikkelsen, Kurt V; Ågren, Hans

2014-03-11

We introduce a density functional theory/molecular mechanical approach for computation of linear response properties of molecules in heterogeneous environments, such as metal surfaces or nanoparticles embedded in solvents. The heterogeneous embedding environment, consisting from metallic and nonmetallic parts, is described by combined force fields, where conventional force fields are used for the nonmetallic part and capacitance-polarization-based force fields are used for the metallic part. The presented approach enables studies of properties and spectra of systems embedded in or placed at arbitrary shaped metallic surfaces, clusters, or nanoparticles. The capability and performance of the proposed approach is illustrated by sample calculations of optical absorption spectra of thymidine absorbed on gold surfaces in an aqueous environment, where we study how different organizations of the gold surface and how the combined, nonadditive effect of the two environments is reflected in the optical absorption spectrum.

Radiation of a nonrelativistic particle during its finite motion in a central field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karnakov, B. M., E-mail: karnak@theor.mephi.ru; Korneev, Ph. A., E-mail: korneev@theor.mephi.ru; Popruzhenko, S. V.

The spectrum and expressions for the intensity of dipole radiation lines are obtained for a classical nonrelativistic charged particle that executes a finite aperiodic motion in an arbitrary central field along a non-closed trajectory. It is shown that, in this case of a conditionally periodic motion, the radiaton spectrum consists of two series of equally spaced lines. It is pointed out that, according to the correspondence principle, the rise of two such series in the classical theory corresponds to the well-known selection rule |{delta}l = 1 for the dipole radiation in a central field in quantum theory, where l ismore » the orbital angular momentum of the particle. The results obtained can be applied to the description of the radiation and the absorption of a classical collisionless electron plasma in nanoparticles irradiated by an intense laser field. As an example, the rate of collisionless absorption of electromagnetic wave energy in equilibrium isotropic nanoplasma is calculated.« less

Systematic theoretical investigation of the zero-field splitting in Gd(III) complexes: Wave function and density functional approaches

NASA Astrophysics Data System (ADS)

Khan, Shehryar; Kubica-Misztal, Aleksandra; Kruk, Danuta; Kowalewski, Jozef; Odelius, Michael

2015-01-01

The zero-field splitting (ZFS) of the electronic ground state in paramagnetic ions is a sensitive probe of the variations in the electronic and molecular structure with an impact on fields ranging from fundamental physical chemistry to medical applications. A detailed analysis of the ZFS in a series of symmetric Gd(III) complexes is presented in order to establish the applicability and accuracy of computational methods using multiconfigurational complete-active-space self-consistent field wave functions and of density functional theory calculations. The various computational schemes are then applied to larger complexes Gd(III)DOTA(H2O)-, Gd(III)DTPA(H2O)2-, and Gd(III)(H2O)83+ in order to analyze how the theoretical results compare to experimentally derived parameters. In contrast to approximations based on density functional theory, the multiconfigurational methods produce results for the ZFS of Gd(III) complexes on the correct order of magnitude.

Electron avalanche structure determined by random walk theory

NASA Technical Reports Server (NTRS)

Englert, G. W.

1973-01-01

A self-consistent avalanche solution which accounts for collective long range Coulomb interactions as well as short range elastic and inelastic collisions between electrons and background atoms is made possible by a random walk technique. Results show that the electric field patterns in the early formation stages of avalanches in helium are close to those obtained from theory based on constant transport coefficients. Regions of maximum and minimum induced electrostatic potential phi are located on the axis of symmetry and within the volume covered by the electron swarm. As formation time continues, however, the region of minimum phi moves to slightly higher radii and the electric field between the extrema becomes somewhat erratic. In the intermediate formation periods the avalanche growth is slightly retarded by the high concentration of ions in the tail which oppose the external electric field. Eventually the formation of ions and electrons in the localized regions of high field strength more than offset this effect causing a very abrupt increase in avalanche growth.

A lifting-surface theory solution for the diffraction of internal sound sources by an engine nacelle

NASA Astrophysics Data System (ADS)

Martinez, R.

1986-07-01

Lifting-surface theory is used to solve the problem of diffraction by a rigid open-ended pipe of zero thickness and finite length, with application to the prediction of acoustic insertion-loss performance for the encasing structure of a ducted propeller or turbofan. An axisymmetric situation is assumed, and the incident field due to a force applied directly to the fluid in the cylinder axial direction is used. A virtual-source distribution of unsteady dipoles is found whose integrated component of radial velocity is set to cancel that of the incident field over the surface. The calculated virtual load is verified by whether its effect on the near-field input power at the actual source is consistent with the far-field power radiated by the system, a balance which is possible if the no-flow-through boundary condition has been satisfied over the rigid pipe surface such that the velocity component of the acoustic intensity is zero.

SVBRDF-Invariant Shape and Reflectance Estimation from a Light-Field Camera.

PubMed

Wang, Ting-Chun; Chandraker, Manmohan; Efros, Alexei A; Ramamoorthi, Ravi

2018-03-01

Light-field cameras have recently emerged as a powerful tool for one-shot passive 3D shape capture. However, obtaining the shape of glossy objects like metals or plastics remains challenging, since standard Lambertian cues like photo-consistency cannot be easily applied. In this paper, we derive a spatially-varying (SV)BRDF-invariant theory for recovering 3D shape and reflectance from light-field cameras. Our key theoretical insight is a novel analysis of diffuse plus single-lobe SVBRDFs under a light-field setup. We show that, although direct shape recovery is not possible, an equation relating depths and normals can still be derived. Using this equation, we then propose using a polynomial (quadratic) shape prior to resolve the shape ambiguity. Once shape is estimated, we also recover the reflectance. We present extensive synthetic data on the entire MERL BRDF dataset, as well as a number of real examples to validate the theory, where we simultaneously recover shape and BRDFs from a single image taken with a Lytro Illum camera.

Action principle for overdetermined systems of nonlinear field equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nissimov, E.; Pacheva, S.; Solomon, S.

1989-01-01

The authors propose a general scheme for constructing an action principle for arbitrary consistent overdetermined systems of nonlinear field equations. The principal tool is the BFV-BRST formalism. There is no need for star-product nor Chern-Simons forms. The main application of this general construction is the derivation of a superspace action in terms of unconstrained superfields for the D = 10N = 1 Super-Yang-Mills theory. The latter contains cubic as well as quartic interactions.

Mean-field theory of a plastic network of integrate-and-fire neurons.

PubMed

Chen, Chun-Chung; Jasnow, David

2010-01-01

We consider a noise-driven network of integrate-and-fire neurons. The network evolves as result of the activities of the neurons following spike-timing-dependent plasticity rules. We apply a self-consistent mean-field theory to the system to obtain the mean activity level for the system as a function of the mean synaptic weight, which predicts a first-order transition and hysteresis between a noise-dominated regime and a regime of persistent neural activity. Assuming Poisson firing statistics for the neurons, the plasticity dynamics of a synapse under the influence of the mean-field environment can be mapped to the dynamics of an asymmetric random walk in synaptic-weight space. Using a master equation for small steps, we predict a narrow distribution of synaptic weights that scales with the square root of the plasticity rate for the stationary state of the system given plausible physiological parameter values describing neural transmission and plasticity. The dependence of the distribution on the synaptic weight of the mean-field environment allows us to determine the mean synaptic weight self-consistently. The effect of fluctuations in the total synaptic conductance and plasticity step sizes are also considered. Such fluctuations result in a smoothing of the first-order transition for low number of afferent synapses per neuron and a broadening of the synaptic-weight distribution, respectively.

A computational theory of visual receptive fields.

PubMed

Lindeberg, Tony

2013-12-01

A receptive field constitutes a region in the visual field where a visual cell or a visual operator responds to visual stimuli. This paper presents a theory for what types of receptive field profiles can be regarded as natural for an idealized vision system, given a set of structural requirements on the first stages of visual processing that reflect symmetry properties of the surrounding world. These symmetry properties include (i) covariance properties under scale changes, affine image deformations, and Galilean transformations of space-time as occur for real-world image data as well as specific requirements of (ii) temporal causality implying that the future cannot be accessed and (iii) a time-recursive updating mechanism of a limited temporal buffer of the past as is necessary for a genuine real-time system. Fundamental structural requirements are also imposed to ensure (iv) mutual consistency and a proper handling of internal representations at different spatial and temporal scales. It is shown how a set of families of idealized receptive field profiles can be derived by necessity regarding spatial, spatio-chromatic, and spatio-temporal receptive fields in terms of Gaussian kernels, Gaussian derivatives, or closely related operators. Such image filters have been successfully used as a basis for expressing a large number of visual operations in computer vision, regarding feature detection, feature classification, motion estimation, object recognition, spatio-temporal recognition, and shape estimation. Hence, the associated so-called scale-space theory constitutes a both theoretically well-founded and general framework for expressing visual operations. There are very close similarities between receptive field profiles predicted from this scale-space theory and receptive field profiles found by cell recordings in biological vision. Among the family of receptive field profiles derived by necessity from the assumptions, idealized models with very good qualitative agreement are obtained for (i) spatial on-center/off-surround and off-center/on-surround receptive fields in the fovea and the LGN, (ii) simple cells with spatial directional preference in V1, (iii) spatio-chromatic double-opponent neurons in V1, (iv) space-time separable spatio-temporal receptive fields in the LGN and V1, and (v) non-separable space-time tilted receptive fields in V1, all within the same unified theory. In addition, the paper presents a more general framework for relating and interpreting these receptive fields conceptually and possibly predicting new receptive field profiles as well as for pre-wiring covariance under scaling, affine, and Galilean transformations into the representations of visual stimuli. This paper describes the basic structure of the necessity results concerning receptive field profiles regarding the mathematical foundation of the theory and outlines how the proposed theory could be used in further studies and modelling of biological vision. It is also shown how receptive field responses can be interpreted physically, as the superposition of relative variations of surface structure and illumination variations, given a logarithmic brightness scale, and how receptive field measurements will be invariant under multiplicative illumination variations and exposure control mechanisms.

Field and laboratory comparison of the sensitivity and reliability of cocaine detection on currency using chemical sensors, humans, K-9s, and SPME/GC/MS/MS analysis

NASA Astrophysics Data System (ADS)

Furton, Kenneth G.; Hsu, Ya-Li; Luo, Tien-Ying; Norelus, Arnold; Rose, Stefan

1999-02-01

Reports that money in general circulation is contaminated with cocaine have resulted in contaminated money theories purporting that any person carrying currency could potentially initiate a drug dog alert. Field tests on dozens of different drug detector dogs with widely varying breeds, ages and training regimes show a consistent threshold level of 1 - 10 (mu) g of methyl benzoate spiked along with cocaine on U.S. currency or 0.1 - 1 ng/sec methyl benzoate diffusion required to initiate an alert. No other substance studied to data has initiated consistent responses by the drug dogs studied.

Lunar gravity derived from long-period satellite motion, a proposed method

NASA Technical Reports Server (NTRS)

Ferrari, A. J.

1971-01-01

A method was devised to determine the spherical harmonic coefficients of the lunar gravity field. The method consists of a two-step data reduction and estimation process. Pseudo-Doppler data were generated simulating two different lunar orbits. The analysis included the perturbing effects of the L1 lunar gravity field, the earth, the sun, and solar radiation pressure. Orbit determinations were performed on these data and long-period orbital elements were obtained. The Kepler element rates from these solutions were used to recover L1 lunar gravity coefficients. Overall results of the experiment show that lunar gravity coefficients can be accurately determined and that the method is dynamically consistent with long-period perturbation theory.

A reformulation of the coupled perturbed self-consistent field equations entirely within a local atomic orbital density matrix-based scheme

NASA Astrophysics Data System (ADS)

Ochsenfeld, Christian; Head-Gordon, Martin

1997-05-01

To exploit the exponential decay found in numerical studies for the density matrix and its derivative with respect to nuclear displacements, we reformulate the coupled perturbed self-consistent field (CPSCF) equations and a quadratically convergent SCF (QCSCF) method for Hartree-Fock and density functional theory within a local density matrix-based scheme. Our D-CPSCF (density matrix-based CPSCF) and D-QCSCF schemes open the way for exploiting sparsity and to achieve asymptotically linear scaling of computational complexity with molecular size ( M), in case of D-CPSCF for all O( M) derivative densities. Furthermore, these methods are even for small molecules strongly competitive to conventional algorithms.

SUSY’s Ladder: Reframing sequestering at Large Volume

DOE PAGES

Reece, Matthew; Xue, Wei

2016-04-07

Theories with approximate no-scale structure, such as the Large Volume Scenario, have a distinctive hierarchy of multiple mass scales in between TeV gaugino masses and the Planck scale, which we call SUSY's Ladder. This is a particular realization of Split Supersymmetry in which the same small parameter suppresses gaugino masses relative to scalar soft masses, scalar soft masses relative to the gravitino mass, and the UV cutoff or string scale relative to the Planck scale. This scenario has many phenomenologically interesting properties, and can avoid dangers including the gravitino problem, flavor problems, and the moduli-induced LSP problem that plague othermore » supersymmetric theories. We study SUSY's Ladder using a superspace formalism that makes the mysterious cancelations in previous computations manifest. This opens the possibility of a consistent effective field theory understanding of the phenomenology of these scenarios, based on power-counting in the small ratio of string to Planck scales. We also show that four-dimensional theories with approximate no-scale structure enforced by a single volume modulus arise only from two special higher-dimensional theories: five-dimensional supergravity and ten-dimensional type IIB supergravity. As a result, this gives a phenomenological argument in favor of ten dimensional ultraviolet physics which is different from standard arguments based on the consistency of superstring theory.« less

Dynamic equilibrium behaviour observed on two contrasting tidal flats from daily monitoring of bed-level changes

NASA Astrophysics Data System (ADS)

Hu, Zhan; van der Wal, Daphne; Cai, Huayang; van Belzen, Jim; Bouma, Tjeerd J.

2018-06-01

Dynamic equilibrium theory (DET) has been applied to tidal flats to systematically explain intertidal morphological responses to various distributions of bed shear stress (BSS). However, it is difficult to verify this theory with field observations because of the discrepancy between the idealized conceptions of theory and the complex reality of intertidal dynamics. The core relation between intertidal morphodynamics and BSS distribution can be easily masked by noise in complex datasets, leading to conclusions of insufficient field evidence to support DET. In the current study, hydrodynamic and morphodynamic data were monitored daily for one year on two tidal flats with contrasting wave exposures. BSS distribution was obtained by validated numerical models. Tidal flat dynamic equilibrium behaviour and BSS were linked via Empirical Orthogonal Function (EOF) analysis. We show that the principal morphodynamic modes corresponded well with the respective modes of BSS found at both sites. Tide-induced BSS was the dominant force at both sites, regardless of the level of wave exposure. The overall erosional and steepening trend found at the two flats can be attributed to the prevailing action of tidal forcing and reduced sediment supply. Hence, EOF analysis confirmed that tidal flat morphodynamics are consistent with DET, providing both field and model evidence to support this theory.

Theory of relativistic Brownian motion in the presence of electromagnetic field in (1+1) dimension

NASA Astrophysics Data System (ADS)

Mukhopadhyay, Annesh; Bandyopadhyay, M.; Bhamidipati, C.

2018-04-01

In this work, we consider the relativistic generalization of the theory of Brownian motion for the (1+1) dimensional case, which is again consistent with Einstein's special theory of relativity and reduces to standard Brownian motion in the Newtonian limit. All the generalizations are made considering Special theory of relativity into account. The particle under consideration has a velocity close to the speed of light and is a free Brownian particle suspended in a heat bath. With this generalization the velocity probability density functions are also obtained using Ito, Stratonovich and Hanggi-Klimontovich approach of pre-point, mid-point and post-point discretization rule. Subsequently, in our work, we have obtained the relativistic Langevin equations in the presence of an electromagnetic field. Finally, taking a special case of a constant vector potential and a constant electric field into account the Langevin equations are solved for the momentum and subsequently the velocity of the particle. Using a similar approach to the Fokker-planck equations of motion, the velocity distributions are also obtained in the presence of a constant vector potential and are plotted, which shows essential deviations from the one obtained without a potential. Our constant potential model can be realized in an optical potential.

A multiscale coupled finite-element and phase-field framework to modeling stressed grain growth in polycrystalline thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jamshidian, M., E-mail: jamshidian@cc.iut.ac.ir; Institute of Structural Mechanics, Bauhaus-University Weimar, Marienstrasse 15, 99423 Weimar; Thamburaja, P., E-mail: prakash.thamburaja@gmail.com

A previously-developed finite-deformation- and crystal-elasticity-based constitutive theory for stressed grain growth in cubic polycrystalline bodies has been augmented to include a description of excess surface energy and grain-growth stagnation mechanisms through the use of surface effect state variables in a thermodynamically-consistent manner. The constitutive theory was also implemented into a multiscale coupled finite-element and phase-field computational framework. With the material parameters in the constitutive theory suitably calibrated, our three-dimensional numerical simulations show that the constitutive model is able to accurately predict the experimentally-determined evolution of crystallographic texture and grain size statistics in polycrystalline copper thin films deposited on polyimide substratemore » and annealed at high-homologous temperatures. In particular, our numerical analyses show that the broad texture transition observed in the annealing experiments of polycrystalline thin films is caused by grain growth stagnation mechanisms. - Graphical abstract: - Highlights: • Developing a theory for stressed grain growth in polycrystalline thin films. • Implementation into a multiscale coupled finite-element and phase-field framework. • Quantitative reproduction of the experimental grain growth data by simulations. • Revealing the cause of texture transition to be due to the stagnation mechanisms.« less

Asymptotic states and the definition of the S-matrix in quantum gravity

NASA Astrophysics Data System (ADS)

Wiesendanger, C.

2013-04-01

Viewing gravitational energy-momentum p_G^\\mu as equal by observation, but different in essence from inertial energy-momentum p_I^\\mu naturally leads to the gauge theory of volume-preserving diffeomorphisms of an inner Minkowski space M4. The generalized asymptotic free scalar, Dirac and gauge fields in that theory are canonically quantized, the Fock spaces of stationary states are constructed and the gravitational limit—mapping the gravitational energy-momentum onto the inertial energy-momentum to account for their observed equality—is introduced. Next the S-matrix in quantum gravity is defined as the gravitational limit of the transition amplitudes of asymptotic in- to out-states in the gauge theory of volume-preserving diffeomorphisms. The so-defined S-matrix relates in- and out-states of observable particles carrying gravitational equal to inertial energy-momentum. Finally, generalized Lehmann-Symanzik-Zimmermann reduction formulae for scalar, Dirac and gauge fields are established which allow us to express S-matrix elements as the gravitational limit of truncated Fourier-transformed vacuum expectation values of time-ordered products of field operators of the interacting theory. Together with the generating functional of the latter established in Wiesendanger (2011 arXiv:1103.1012) any transition amplitude can in principle be computed consistently to any order in perturbative quantum gravity.

Partial N=2 to N=1 supersymmetry breaking and gravity deformed chiral rings.

NASA Astrophysics Data System (ADS)

David, Justin R.; Gava, Edi; Narain, K. S.

2004-06-01

We present a derivation of the chiral ring relations, arising in Script N = 1 gauge theories in the presence of (anti-)self-dual background gravitational field Galphabetagamma and graviphoton field strength Falphabeta. These were previously considered in the literature in order to prove the relation between gravitational F-terms in the gauge theory and coefficients of the topological expansion of the related matrix integral. We consider the spontaneous breaking of Script N = 2 to Script N = 1 supergravity coupled to vector- and hyper-multiplets, and take a rigid limit which keeps a non-trivial Galphabetagamma and Falphabeta with a finite supersymmetry breaking scale. We derive the resulting effective, global, Script N = 1 theory and show that the chiral ring relations are just a consequence of the standard Script N = 2 supergravity Bianchi identities. We can also obtain models with matter in different representations and in particular quiver theories. We also show that, in the presence of non-trivial Falphabeta, consistency of the Konishi-anomaly loop equations with the chiral ring relations, demands that the gauge kinetic function and the superpotential, a priori unrelated for an Script N = 1 theory, should be derived from a prepotential, indicating an underlying Script N = 2 structure.

On the origin of vorticity in magnetic particle suspensions subjected to triaxial fields

DOE PAGES

Martin, James E.

2016-06-06

We have recently reported that two classes of time-dependent triaxial magnetic fields can induce vorticity in magnetic particle suspensions. The first class – symmetry-breaking fields – is comprised of two ac components and one dc component. The second class – rational triad fields – is comprised of three ac components. In both cases deterministic vorticity occurs when the ratios of the field frequencies form rational numbers. A strange aspect of these fields is that they produce fluid vorticity without generally having a circulating field vector, such as would occur in a rotating field. It has been shown, however, that themore » symmetry of the field trajectory, considered jointly with that of the converse field, allows vorticity to occur around one particular field axis. This axis might be any of the field components, and is determined by the relative frequencies of the field components. However, the symmetry theories give absolutely no insight into why vorticity should occur. In this paper we propose a particle-based model of vorticity in these driven fluids. This model proposes that particles form volatile chains that follow, but lag behind, the dynamic field vector. Furthermore, this model is consistent with the predictions of symmetry theory and gives reasonable agreement with previously reported torque density measurements for a variety of triaxial fields.« less

Chiral anomaly, Berry phase, and chiral kinetic theory from worldlines in quantum field theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mueller, Niklas; Venugopalan, Raju

Here, we outline a novel chiral kinetic theory framework for systematic computations of the Chiral Magnetic Effect (CME) in ultrarelativistic heavy-ion collisions. The real part of the fermion determinant in the QCD effective action is expressed as a supersymmetric world-line action of spinning, colored, Grassmanian point particles in background gauge fields, with equations of motion that are covariant generalizations of the Bargmann-Michel-Telegdi and Wong equations. Berry’s phase is obtained in a consistent non-relativistic adiabatic limit. The chiral anomaly, in contrast, arises from the phase of the fermion determinant; its topological properties are therefore distinct from those of the Berry phase.more » We show that the imaginary contribution to the fermion determinant too can be expressed as a point particle world-line path integral and derive the corresponding anomalous axial vector current. Our results can be used to derive a covariant relativistic chiral kinetic theory including the effects of topological fluctuations that has overlap with classical-statistical simulations of the CME at early times and anomalous hydrodynamics at late times.« less

The Theory of Magnetic Reconnection: Past, Present, and Future

NASA Astrophysics Data System (ADS)

Cassak, P. A.

2008-05-01

Magnetic reconnection underlies the energy release observed in eruptive events in the solar corona (such as solar flares and coronal mass ejections) and in the Earth's magnetosphere. The theory of magnetic reconnection was originally developed to understand observations by Ron Giovanelli, who discovered that solar flares occur where the coronal magnetic field changes directions. Pioneers in space plasma theory such as James Dungey, Peter Sweet, Eugene Parker, and Harry Petschek first elucidated the underlying physical effects that lead to this massive energy release. Since then, much effort has been made to understand what process or processes cause magnetic reconnection to be fast enough to be consistent with observations, such as anomalous resistivity, secondary instabilities, and the Hall effect. However, a thorough understanding of this important process remains a topic of intense study. In celebration of the 50th anniversary of Parker's paper predicting the high-speed solar wind, this talk will review the history of the theory of magnetic reconnection. The present status of the field will be discussed, and remaining unanswered questions will be summarized.

Chiral anomaly, Berry phase, and chiral kinetic theory from worldlines in quantum field theory

DOE PAGES

Mueller, Niklas; Venugopalan, Raju

2018-03-21

Here, we outline a novel chiral kinetic theory framework for systematic computations of the Chiral Magnetic Effect (CME) in ultrarelativistic heavy-ion collisions. The real part of the fermion determinant in the QCD effective action is expressed as a supersymmetric world-line action of spinning, colored, Grassmanian point particles in background gauge fields, with equations of motion that are covariant generalizations of the Bargmann-Michel-Telegdi and Wong equations. Berry’s phase is obtained in a consistent non-relativistic adiabatic limit. The chiral anomaly, in contrast, arises from the phase of the fermion determinant; its topological properties are therefore distinct from those of the Berry phase.more » We show that the imaginary contribution to the fermion determinant too can be expressed as a point particle world-line path integral and derive the corresponding anomalous axial vector current. Our results can be used to derive a covariant relativistic chiral kinetic theory including the effects of topological fluctuations that has overlap with classical-statistical simulations of the CME at early times and anomalous hydrodynamics at late times.« less

Superconducting properties of copper oxide high-temperature superconductors

PubMed Central

Chen, Guanhua; Langlois, Jean-Marc; Guo, Yuejin; Goddard, William A.

1989-01-01

The equations for the magnon pairing theory of high-temperature copper-oxide-based superconductors are solved and used to calculate several properties, leading to results for specific heat and critical magnetic fields consistent with experimental results. In addition, the theory suggests an explanation of why there are two sets of transition temperatures (Tc ≈ 90 K and Tc ≈ 55 K) for the Y1Ba2Cu3O6+x class of superconductors. It also provides an explanation of why La2-xSrxCuO4 is a superconductor for only a small range of x (and suggests an experiment to independently test the theory). These results provide support for the magnon pairing theory of high-temperature superconductors. On the basis of the theory, some suggestions are made for improving these materials. PMID:16594038

TRIBES: A New Way of Learning Together.

ERIC Educational Resources Information Center

Gibbs, Jeanne; And Others

Blending the fields of group process and cooperative learning; prevention and resiliency; learning theory; and school change into a comprehensive guide, this book describes the on-going development of the Tribes group process, whereby small learning groups are used to promote human growth and learning. A tribe consists of three to six students who…

To Teach (Literature?) Report Series 5.4.

ERIC Educational Resources Information Center

Petrosky, Anthony

Teaching models, derived from theory and research, are static, and lack responsibility. Models substitute an abstracted notion for teachers. Literature can be viewed as a field of play, where meaning opens, rather than as a body of knowledge. The teacher's challenge consists of posing questions that allow students to formulate their takes on a…

Who Owns Educational Theory? Big Data, Algorithms and the Expert Power of Education Data Science

ERIC Educational Resources Information Center

Williamson, Ben

2017-01-01

"Education data science" is an emerging methodological field which possesses the algorithm-driven technologies required to generate insights and knowledge from educational big data. This article consists of an analysis of the Lytics Lab, Stanford University's laboratory for research and development in learning analytics, and the Center…

Assessing the Field Course Experiential Learning Model: Transforming Collegiate Short-Term Study Abroad Experiences into Rich Learning Environments

ERIC Educational Resources Information Center

McLaughlin, Jacqueline S.; Johnson, D. Kent

2006-01-01

Constructivist learning theory holds that "learning consists less in recording information than in interpreting it. To interpret what is received and is attended to, the learner must personally construct meaning for it." Unfortunately, opportunities for interpreting conceptual information are often lacking in classroom…

The Craft of Teaching Adults. Third Edition.

ERIC Educational Resources Information Center

Barer-Stein, Thelma, Ed.; Kompf, Michael, Ed.

This book, which is intended as a text for future and experienced adult educators, examines current theories and best practices in adult education. The book consists of 20 chapters written by prominent practitioners in the field of adult education. The chapter titles and authors are as follows: "Teachers Sharing Experiences" (James A. Draper);…

Increasing Urban Students' Engagement with School: Toward the Expeditionary Learning Model

ERIC Educational Resources Information Center

Ikpeze, Chinwe

2013-01-01

This paper documents the findings of a case study of one K-10 urban expeditionary learning (EL) school. Drawing on theoretical perspectives consistent with the sociocultural theory, data were collected from a variety of sources that included a survey, interviews, field notes from classroom observations and other school activities. Thematic…

Optical absorption spectra and g factor of MgO: Mn2+explored by ab initio and semi empirical methods

NASA Astrophysics Data System (ADS)

Andreici Eftimie, E.-L.; Avram, C. N.; Brik, M. G.; Avram, N. M.

2018-02-01

In this paper we present a methodology for calculations of the optical absorption spectra, ligand field parameters and g factor for the Mn2+ (3d5) ions doped in MgO host crystal. The proposed technique combines two methods: the ab initio multireference (MR) and the semi empirical ligand field (LF) in the framework of the exchange charge model (ECM) respectively. Both methods of calculations are applied to the [MnO6]10-cluster embedded in an extended point charge field of host matrix ligands based on Gellé-Lepetit procedure. The first step of such investigations was the full optimization of the cubic structure of perfect MgO crystal, followed by the structural optimization of the doped of MgO:Mn2+ system, using periodic density functional theory (DFT). The ab initio MR wave functions approaches, such as complete active space self-consistent field (CASSCF), N-electron valence second order perturbation theory (NEVPT2) and spectroscopy oriented configuration interaction (SORCI), are used for the calculations. The scalar relativistic effects have also been taken into account through the second order Douglas-Kroll-Hess (DKH2) procedure. Ab initio ligand field theory (AILFT) allows to extract all LF parameters and spin-orbit coupling constant from such calculations. In addition, the ECM of ligand field theory (LFT) has been used for modelling theoptical absorption spectra. The perturbation theory (PT) was employed for the g factor calculation in the semi empirical LFT. The results of each of the aforementioned types of calculations are discussed and the comparisons between the results obtained and the experimental results show a reasonable agreement, which justifies this new methodology based on the simultaneous use of both methods. This study establishes fundamental principles for the further modelling of larger embedded cluster models of doped metal oxides.

Modeling polymer-induced interactions between two grafted surfaces: comparison between interfacial statistical associating fluid theory and self-consistent field theory.

PubMed

Jain, Shekhar; Ginzburg, Valeriy V; Jog, Prasanna; Weinhold, Jeffrey; Srivastava, Rakesh; Chapman, Walter G

2009-07-28

The interaction between two polymer grafted surfaces is important in many applications, such as nanocomposites, colloid stabilization, and polymer alloys. In our previous work [Jain et al., J. Chem. Phys. 128, 154910 (2008)], we showed that interfacial statistical associating fluid density theory (iSAFT) successfully calculates the structure of grafted polymer chains in the absence/presence of a free polymer. In the current work, we have applied this density functional theory to calculate the force of interaction between two such grafted monolayers in implicit good solvent conditions. In particular, we have considered the case where the segment sizes of the free (sigma(f)) and grafted (sigma(g)) polymers are different. The interactions between the two monolayers in the absence of the free polymer are always repulsive. However, in the presence of the free polymer, the force either can be purely repulsive or can have an attractive minimum depending upon the relative chain lengths of the free (N(f)) and grafted polymers (N(g)). The attractive minimum is observed only when the ratio alpha = N(f)/N(g) is greater than a critical value. We find that these critical values of alpha satisfy the following scaling relation: rho(g) square root(N(g)) beta(3) proportional to alpha(-lambda), where beta = sigma(f)/sigma(g) and lambda is the scaling exponent. For beta = 1 or the same segment sizes of the free and grafted polymers, this scaling relation is in agreement with those from previous theoretical studies using self-consistent field theory (SCFT). Detailed comparisons between iSAFT and SCFT are made for the structures of the monolayers and their forces of interaction. These comparisons lead to interesting implications for the modeling of nanocomposite thermodynamics.

Effective charges of ionic liquid determined self-consistently through combination of molecular dynamics simulation and density-functional theory.

PubMed

Ishizuka, Ryosuke; Matubayasi, Nobuyuki

2017-11-15

A self-consistent scheme combining the molecular dynamics (MD) simulation and density functional theory (DFT) was recently proposed to incorporate the effects of the charge transfer and polarization of ions into non-poralizable force fields of ionic liquids for improved description of energetics and dynamics. The purpose of the present work is to analyze the detailed setups of the MD/DFT scheme by focusing on how the basis set, exchange-correlation (XC) functional, charge-fitting method or force field for the intramolecular and Lennard-Jones interactions affects the MD/DFT results of 1,3-dimethylimidazolium bis(trifluoromethylsulfonyl) imide ( [C1mim][NTf2]) and 1-ethyl-3-methylimidazolium glycinate ( [C2mim][Gly]). It was found that the double-zeta valence polarized or larger size of basis set is required for the convergence of the effective charge of the ion. The choice of the XC functional was further not influential as far as the generalized gradient approximation is used. The charge-fitting method and force field govern the accuracy of the MD/DFT scheme, on the other hand. We examined the charge-fitting methods of Blöchl, the iterative Hirshfeld (Hirshfeld-I), and REPEAT in combination with Lopes et al.'s force field and general AMBER force field. There is no single combination of charge fitting and force field that provides good agreements with the experiments, while the MD/DFT scheme reduces the effective charges of the ions and leads to better description of energetics and dynamics compared to the original force field with unit charges. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Theory of many-body radiative heat transfer without the constraint of reciprocity

NASA Astrophysics Data System (ADS)

Zhu, Linxiao; Guo, Yu; Fan, Shanhui

2018-03-01

Using a self-consistent scattered field approach based on fluctuational electrodynamics, we develop compact formulas for radiative heat transfer in many-body systems without the constraint of reciprocity. The formulas allow for efficient numerical calculation for a system consisting of a large number of bodies, and are in principle exact. As a demonstration, for a nonreciprocal many-body system, we investigate persistent heat current at thermal equilibrium and directional heat transfer when the system is away from thermal equilibrium.

Einstein's creative thinking and the general theory of relativity: a documented report.

PubMed

Rothenberg, A

1979-01-01

A document written by Albert Einstein has recently come to light in which the eminent scientist described the actual sequence of his thoughts leading to the development of the general theory of relativity. The key creative thought was an instance of a type of creative cognition the author has previously designated "Janusian thinking," Janusian thinking consists of actively conceiving two or more opposite or antithetical concepts, ideas, or images simultaneously. This form of high-level secondary process cognition has been found to operate widely in art, science, and other fields.

On the equivalence of LIST and DIIS methods for convergence acceleration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garza, Alejandro J.; Scuseria, Gustavo E.

2015-04-28

Self-consistent field extrapolation methods play a pivotal role in quantum chemistry and electronic structure theory. We, here, demonstrate the mathematical equivalence between the recently proposed family of LIST methods [Wang et al., J. Chem. Phys. 134, 241103 (2011); Y. K. Chen and Y. A. Wang, J. Chem. Theory Comput. 7, 3045 (2011)] and the general form of Pulay’s DIIS [Chem. Phys. Lett. 73, 393 (1980); J. Comput. Chem. 3, 556 (1982)] with specific error vectors. Our results also explain the differences in performance among the various LIST methods.

Quantum gravity extension of the inflationary scenario.

PubMed

Agullo, Ivan; Ashtekar, Abhay; Nelson, William

2012-12-21

Since the standard inflationary paradigm is based on quantum field theory on classical space-times, it excludes the Planck era. Using techniques from loop quantum gravity, the paradigm is extended to a self-consistent theory from the Planck scale to the onset of slow roll inflation, covering some 11 orders of magnitude in energy density and curvature. This preinflationary dynamics also opens a small window for novel effects, e.g., a source for non-Gaussianities, which could extend the reach of cosmological observations to the deep Planck regime of the early Universe.

Effective description of general extensions of the Standard Model: the complete tree-level dictionary

NASA Astrophysics Data System (ADS)

de Blas, J.; Criado, J. C.; Pérez-Victoria, M.; Santiago, J.

2018-03-01

We compute all the tree-level contributions to the Wilson coefficients of the dimension-six Standard-Model effective theory in ultraviolet completions with general scalar, spinor and vector field content and arbitrary interactions. No assumption about the renormalizability of the high-energy theory is made. This provides a complete ultraviolet/infrared dictionary at the classical level, which can be used to study the low-energy implications of any model of interest, and also to look for explicit completions consistent with low-energy data.

Cosmological constant implementing Mach principle in general relativity

NASA Astrophysics Data System (ADS)

Namavarian, Nadereh; Farhoudi, Mehrdad

2016-10-01

We consider the fact that noticing on the operational meaning of the physical concepts played an impetus role in the appearance of general relativity (GR). Thus, we have paid more attention to the operational definition of the gravitational coupling constant in this theory as a dimensional constant which is gained through an experiment. However, as all available experiments just provide the value of this constant locally, this coupling constant can operationally be meaningful only in a local area. Regarding this point, to obtain an extension of GR for the large scale, we replace it by a conformal invariant model and then, reduce this model to a theory for the cosmological scale via breaking down the conformal symmetry through singling out a specific conformal frame which is characterized by the large scale characteristics of the universe. Finally, we come to the same field equations that historically were proposed by Einstein for the cosmological scale (GR plus the cosmological constant) as the result of his endeavor for making GR consistent with the Mach principle. However, we declare that the obtained field equations in this alternative approach do not carry the problem of the field equations proposed by Einstein for being consistent with Mach's principle (i.e., the existence of de Sitter solution), and can also be considered compatible with this principle in the Sciama view.

Lagrangian and Hamiltonian constraints for guiding-center Hamiltonian theories

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tronko, Natalia; Brizard, Alain J.

A consistent guiding-center Hamiltonian theory is derived by Lie-transform perturbation method, with terms up to second order in magnetic-field nonuniformity. Consistency is demonstrated by showing that the guiding-center transformation presented here satisfies separate Jacobian and Lagrangian constraints that have not been explored before. A new first-order term appearing in the guiding-center phase-space Lagrangian is identified through a calculation of the guiding-center polarization. It is shown that this new polarization term also yields a simpler expression of the guiding-center toroidal canonical momentum, which satisfies an exact conservation law in axisymmetric magnetic geometries. Finally, an application of the guiding-center Lagrangian constraint onmore » the guiding-center Hamiltonian yields a natural interpretation for its higher-order corrections.« less

Torsion as a source of expansion in a Bianchi type-I universe in the self-consistent Einstein-Cartan theory of a perfect fluid with spin density

NASA Technical Reports Server (NTRS)

Bradas, James C.; Fennelly, Alphonsus J.; Smalley, Larry L.

1987-01-01

It is shown that a generalized (or 'power law') inflationary phase arises naturally and inevitably in a simple (Bianchi type-I) anisotropic cosmological model in the self-consistent Einstein-Cartan gravitation theory with the improved stress-energy-momentum tensor with the spin density of Ray and Smalley (1982, 1983). This is made explicit by an analytical solution of the field equations of motion of the fluid variables. The inflation is caused by the angular kinetic energy density due to spin. The model further elucidates the relationship between fluid vorticity, the angular velocity of the inertially dragged tetrads, and the precession of the principal axes of the shear ellipsoid. Shear is not effective in damping the inflation.

Derivation of a hydrodynamic theory for mesoscale dynamics in microswimmer suspensions

NASA Astrophysics Data System (ADS)

Reinken, Henning; Klapp, Sabine H. L.; Bär, Markus; Heidenreich, Sebastian

2018-02-01

In this paper, we systematically derive a fourth-order continuum theory capable of reproducing mesoscale turbulence in a three-dimensional suspension of microswimmers. We start from overdamped Langevin equations for a generic microscopic model (pushers or pullers), which include hydrodynamic interactions on both small length scales (polar alignment of neighboring swimmers) and large length scales, where the solvent flow interacts with the order parameter field. The flow field is determined via the Stokes equation supplemented by an ansatz for the stress tensor. In addition to hydrodynamic interactions, we allow for nematic pair interactions stemming from excluded-volume effects. The results here substantially extend and generalize earlier findings [S. Heidenreich et al., Phys. Rev. E 94, 020601 (2016), 10.1103/PhysRevE.94.020601], in which we derived a two-dimensional hydrodynamic theory. From the corresponding mean-field Fokker-Planck equation combined with a self-consistent closure scheme, we derive nonlinear field equations for the polar and the nematic order parameter, involving gradient terms of up to fourth order. We find that the effective microswimmer dynamics depends on the coupling between solvent flow and orientational order. For very weak coupling corresponding to a high viscosity of the suspension, the dynamics of mesoscale turbulence can be described by a simplified model containing only an effective microswimmer velocity.

Field-theoretic approach to fluctuation effects in neural networks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buice, Michael A.; Cowan, Jack D.; Mathematics Department, University of Chicago, Chicago, Illinois 60637

A well-defined stochastic theory for neural activity, which permits the calculation of arbitrary statistical moments and equations governing them, is a potentially valuable tool for theoretical neuroscience. We produce such a theory by analyzing the dynamics of neural activity using field theoretic methods for nonequilibrium statistical processes. Assuming that neural network activity is Markovian, we construct the effective spike model, which describes both neural fluctuations and response. This analysis leads to a systematic expansion of corrections to mean field theory, which for the effective spike model is a simple version of the Wilson-Cowan equation. We argue that neural activity governedmore » by this model exhibits a dynamical phase transition which is in the universality class of directed percolation. More general models (which may incorporate refractoriness) can exhibit other universality classes, such as dynamic isotropic percolation. Because of the extremely high connectivity in typical networks, it is expected that higher-order terms in the systematic expansion are small for experimentally accessible measurements, and thus, consistent with measurements in neocortical slice preparations, we expect mean field exponents for the transition. We provide a quantitative criterion for the relative magnitude of each term in the systematic expansion, analogous to the Ginsburg criterion. Experimental identification of dynamic universality classes in vivo is an outstanding and important question for neuroscience.« less

Relaxation dynamics of a driven two-level system coupled to a Bose-Einstein condensate: application to quantum dot-dipolar exciton gas hybrid systems.

PubMed

Kovalev, Vadim M; Tse, Wang-Kong

2017-11-22

We develop a microscopic theory for the relaxation dynamics of an optically pumped two-level system (TLS) coupled to a bath of weakly interacting Bose gas. Using Keldysh formalism and diagrammatic perturbation theory, expressions for the relaxation times of the TLS Rabi oscillations are derived when the boson bath is in the normal state and the Bose-Einstein condensate (BEC) state. We apply our general theory to consider an irradiated quantum dot coupled with a boson bath consisting of a two-dimensional dipolar exciton gas. When the bath is in the BEC regime, relaxation of the Rabi oscillations is due to both condensate and non-condensate fractions of the bath bosons for weak TLS-light coupling and pre dominantly due to the non-condensate fraction for strong TLS-light coupling. Our theory also shows that a phase transition of the bath from the normal to the BEC state strongly influences the relaxation rate of the TLS Rabi oscillations. The TLS relaxation rate is approximately independent of the pump field frequency and monotonically dependent on the field strength when the bath is in the low-temperature regime of the normal phase. Phase transition of the dipolar exciton gas leads to a non-monotonic dependence of the TLS relaxation rate on both the pump field frequency and field strength, providing a characteristic signature for the detection of BEC phase transition of the coupled dipolar exciton gas.

Phase diagrams of flux lattices with disorder

NASA Astrophysics Data System (ADS)

Giamarchi, T.; Le Doussal, P.

1997-03-01

We review the prediction, made in a previous work [T. Giamarchi and P. Le Doussal, Phys. Rev. B 52, 1242 (1995)], that the phase diagram of type-II superconductors consists of a topologically ordered Bragg glass phase at low fields undergoing a transition at higher fields into a vortex glass or a liquid. We estimate the position of the phase boundary using a Lindemann criterion. We find that the proposed theory is compatible with recent experiments on superconductors. Further experimental consequences are investigated.

Flow induced migration in polymer melts – Theory and simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dorgan, John Robert, E-mail: jdorgan@mines.edu; Rorrer, Nicholas Andrew, E-mail: nrorrer@mines.edu

2015-04-28

Flow induced migration, whereby polymer melts are fractionated by molecular weight across a flow field, represents a significant complication in the processing of polymer melts. Despite its long history, such phenomena remain relatively poorly understood. Here a simple analytical theory is presented which predicts the phenomena based on well-established principles of non-equilibrium thermodynamics. It is unambiguously shown that for purely viscous materials, a gradient in shear rate is needed to drive migration; for purely viscometric flows no migration is expected. Molecular scale simulations of flow migration effects in dense polymer melts are also presented. In shear flow the melts exhibitmore » similar behavior as the quiescent case; a constant shear rate across the gap does not induce chain length based migration. In comparison, parabolic flow causes profound migration for both unentangled and entangled melts. These findings are consistent with the analytical theory. The picture that emerges is consistent with flow induced migration mechanisms predominating over competing chain degradation mechanisms.« less

Conformal higher spin theory and twistor space actions

NASA Astrophysics Data System (ADS)

Hähnel, Philipp; McLoughlin, Tristan

2017-12-01

We consider the twistor description of conformal higher spin theories and give twistor space actions for the self-dual sector of theories with spin greater than two that produce the correct flat space-time spectrum. We identify a ghost-free subsector, analogous to the embedding of Einstein gravity with cosmological constant in Weyl gravity, which generates the unique spin-s three-point anti-MHV amplitude consistent with Poincaré invariance and helicity constraints. By including interactions between the infinite tower of higher-spin fields we give a geometric interpretation to the twistor equations of motion as the integrability condition for a holomorphic structure on an infinite jet bundle. Finally, we conjecture anti-self-dual interaction terms which give an implicit definition of a twistor action for the full conformal higher spin theory.

Using the false memory paradigm to test two key elements of alcohol expectancy theory.

PubMed

Reich, Richard R; Goldman, Mark S; Noll, Jane A

2004-05-01

Two key aspects of alcohol expectancy theory--(a) that memories about alcohol effects are stored as relatively cohesive templates of information and (b) that these templates are automatically activated in alcohol-related contexts--were tested using the Deese-Roediger- McDermott false memory paradigm. Alcohol expectancy adjectives were studied, and false memory for expectancy target words was tested in neutral and alcohol contexts. Results indicated that in the alcohol context heavier drinkers showed more false memory for alcohol expectancy words than they did in a neutral context. Differences were not found for lighter drinkers. These results were consistent with alcohol expectancy theory, which was then compared with various forms of association theory in explaining these results and larger issues in the addiction field. ((c) 2004 APA, all rights reserved)

Spheres, charges, instantons, and bootstrap: A five-dimensional odyssey

NASA Astrophysics Data System (ADS)

Chang, Chi-Ming; Fluder, Martin; Lin, Ying-Hsuan; Wang, Yifan

2018-03-01

We combine supersymmetric localization and the conformal bootstrap to study five-dimensional superconformal field theories. To begin, we classify the admissible counter-terms and derive a general relation between the five-sphere partition function and the conformal and flavor central charges. Along the way, we discover a new superconformal anomaly in five dimensions. We then propose a precise triple factorization formula for the five-sphere partition function, that incorporates instantons and is consistent with flavor symmetry enhancement. We numerically evaluate the central charges for the rank-one Seiberg and Morrison-Seiberg theories, and find strong evidence for their saturation of bootstrap bounds, thereby determining the spectra of long multiplets in these theories. Lastly, our results provide new evidence for the F-theorem and possibly a C-theorem in five-dimensional superconformal theories.

The Vibrational Frequencies of CaO2, ScO2, and TiO2: A Comparison of Theoretical Methods

NASA Technical Reports Server (NTRS)

Rosi, Marzio; Bauschlicher, Charles W., Jr.; Chertihin, George V.; Andrews, Lester; Arnold, James O. (Technical Monitor)

1997-01-01

The vibrational frequencies of several states of CaO2, ScO2, and TiO2 are computed at using density functional theory (DFT), the Hatree-Fock approach, second order Moller-Plesset perturbation theory (MP2), and the complete-active-space self-consistent-field theory. Three different functionals are used in the DFT calculations, including two hybrid functionals. The coupled cluster singles and doubles approach including the effect of unlinked triples, determined using perturbation theory, is applied to selected states. The Becke-Perdew 86 functional appears to be the cost effective method of choice, although even this functional does not perform well for one state of CaO2. The MP2 approach is significantly inferior to the DFT approaches.

Active matter beyond mean-field: ring-kinetic theory for self-propelled particles.

PubMed

Chou, Yen-Liang; Ihle, Thomas

2015-02-01

Recently, Hanke et al. [Phys. Rev. E 88, 052309 (2013)] showed that mean-field kinetic theory fails to describe collective motion in soft active colloids and that correlations must not be neglected. Correlation effects are also expected to be essential in systems of biofilaments driven by molecular motors and in swarms of midges. To obtain correlations in an active matter system from first principles, we derive a ring-kinetic theory for Vicsek-style models of self-propelled agents from the exact N-particle evolution equation in phase space. The theory goes beyond mean-field and does not rely on Boltzmann's approximation of molecular chaos. It can handle precollisional correlations and cluster formation, which are both important to understand the phase transition to collective motion. We propose a diagrammatic technique to perform a small-density expansion of the collision operator and derive the first two equations of the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy. An algorithm is presented that numerically solves the evolution equation for the two-particle correlations on a lattice. Agent-based simulations are performed and informative quantities such as orientational and density correlation functions are compared with those obtained by ring-kinetic theory. Excellent quantitative agreement between simulations and theory is found at not-too-small noises and mean free paths. This shows that there are parameter ranges in Vicsek-like models where the correlated closure of the BBGKY hierarchy gives correct and nontrivial results. We calculate the dependence of the orientational correlations on distance in the disordered phase and find that it seems to be consistent with a power law with an exponent around -1.8, followed by an exponential decay. General limitations of the kinetic theory and its numerical solution are discussed.

Creation and Evolution of Particle Number Asymmetry in an Expanding Universe

NASA Astrophysics Data System (ADS)

Morozumi, T.; Nagao, K. I.; Adam, A. S.; Takata, H.

2017-03-01

We introduce a model which may generate particle number asymmetry in an expanding Universe. The model includes charge parity (CP) violating and particle number violating interactions. The model consists of a real scalar field and a complex scalar field. Starting with an initial condition specified by a density matrix, we show how the asymmetry is created through the interaction and how it evolves at later time. We compute the asymmetry using non-equilibrium quantum field theory and as a first test of the model, we study how the asymmetry evolves in the flat limit.

Observation of plasma rotation driven by static nonaxisymmetric magnetic fields in a tokamak.

PubMed

Garofalo, A M; Burrell, K H; DeBoo, J C; deGrassie, J S; Jackson, G L; Lanctot, M; Reimerdes, H; Schaffer, M J; Solomon, W M; Strait, E J

2008-11-07

We present the first evidence for the existence of a neoclassical toroidal rotation driven in a direction counter to the plasma current by nonaxisymmetric, nonresonant magnetic fields. At high beta and with large injected neutral beam momentum, the nonresonant field torque slows down the plasma toward the neoclassical "offset" rotation rate. With small injected neutral beam momentum, the toroidal rotation is accelerated toward the offset rotation, with resulting improvement in the global energy confinement time. The observed magnitude, direction, and radial profile of the offset rotation are consistent with neoclassical theory predictions.

Scaling properties of the two-dimensional randomly stirred Navier-Stokes equation.

PubMed

Mazzino, Andrea; Muratore-Ginanneschi, Paolo; Musacchio, Stefano

2007-10-05

We inquire into the scaling properties of the 2D Navier-Stokes equation sustained by a force field with Gaussian statistics, white noise in time, and with a power-law correlation in momentum space of degree 2 - 2 epsilon. This is at variance with the setting usually assumed to derive Kraichnan's classical theory. We contrast accurate numerical experiments with the different predictions provided for the small epsilon regime by Kraichnan's double cascade theory and by renormalization group analysis. We give clear evidence that for all epsilon, Kraichnan's theory is consistent with the observed phenomenology. Our results call for a revision in the renormalization group analysis of (2D) fully developed turbulence.

A theoretical and experimental investigation of the linear and nonlinear impulse responses from a magnetoplasma column

NASA Technical Reports Server (NTRS)

Grody, N. C.

1973-01-01

Linear and nonlinear responses of a magnetoplasma resulting from inhomogeneity in the background plasma density are studied. The plasma response to an impulse electric field was measured and the results are compared with the theory of an inhomogeneous cold plasma. Impulse responses were recorded for the different plasma densities, static magnetic fields, and neutral pressures and generally appeared as modulated, damped oscillations. The frequency spectra of the waveforms consisted of two separated resonance peaks. For weak excitation, the results correlate with the linear theory of a cold, inhomogeneous, cylindrical magnetoplasma. The damping mechanism is identified with that of phase mixing due to inhomogeneity in plasma density. With increasing excitation voltage, the nonlinear impulse responses display stronger damping and a small increase in the frequency of oscillation.

A 750 GeV portal: LHC phenomenology and dark matter candidates

DOE PAGES

D’Eramo, Francesco; de Vries, Jordy; Panci, Paolo

2016-05-16

We study the effective field theory obtained by extending the Standard Model field content with two singlets: a 750 GeV (pseudo-)scalar and a stable fermion. Accounting for collider productions initiated by both gluon and photon fusion, we investigate where the theory is consistent with both the LHC diphoton excess and bounds from Run 1. We analyze dark matter phenomenology in such regions, including relic density constraints as well as collider, direct, and indirect bounds. Scalar portal dark matter models are very close to limits from direct detection and mono-jet searches if gluon fusion dominates, and not constrained at all otherwise.more » In conclusion, pseudo-scalar models are challenged by photon line limits and mono-jet searches in most of the parameter space.« less

A 750 GeV portal: LHC phenomenology and dark matter candidates

DOE Office of Scientific and Technical Information (OSTI.GOV)

D’Eramo, Francesco; de Vries, Jordy; Panci, Paolo

We study the effective field theory obtained by extending the Standard Model field content with two singlets: a 750 GeV (pseudo-)scalar and a stable fermion. Accounting for collider productions initiated by both gluon and photon fusion, we investigate where the theory is consistent with both the LHC diphoton excess and bounds from Run 1. We analyze dark matter phenomenology in such regions, including relic density constraints as well as collider, direct, and indirect bounds. Scalar portal dark matter models are very close to limits from direct detection and mono-jet searches if gluon fusion dominates, and not constrained at all otherwise.more » In conclusion, pseudo-scalar models are challenged by photon line limits and mono-jet searches in most of the parameter space.« less

Anomalous hydrodynamics kicks neutron stars

DOE PAGES

Kaminski, Matthias; Uhlemann, Christoph F.; Bleicher, Marcus; ...

2016-06-28

Observations show that, at the beginning of their existence, neutron stars are accelerated briskly to velocities of up to a thousand kilometers per second. We argue that this remarkable effect can be explained as a manifestation of quantum anomalies on astrophysical scales. To theoretically describe the early stage in the life of neutron stars we use hydrodynamics as a systematic effective-field-theory framework. Within this framework, anomalies of the Standard Model of particle physics as underlying microscopic theory imply the presence of a particular set of transport terms, whose form is completely fixed by theoretical consistency. Here, the resulting chiral transportmore » effects in proto-neutron stars enhance neutrino emission along the internal magnetic field, and the recoil can explain the order of magnitude of the observed kick velocities.« less

Primordial fluctuations from inflation in dRGT bimetric theory of gravity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sakakihara, Yuki; Research Center for the Early Universe; Tanaka, Takahiro

2016-09-19

We investigate primordial gravitational waves and curvature perturbations in de Rham-Gabadadze-Tolley (dRGT) bimetric gravity. We evaluate the power-spectra in the leading order in slow roll. Taking into account the decay of massive graviton, we find that the action up to the second order reduces to the Einstein theory with a non-minimally coupled scalar field, which is simplified to a minimally coupled model by conformal transformation. We also find that the tensor to scalar ratio for large field inflation with power law potential is larger than the general relativity counterpart for any choice of parameters in dRGT bimetric gravity. In addition,more » we confirm that the usual consistency relation holds and we have a steeper spectrum for gravitational waves.« less

Redefining ecological ethics: science, policy, and philosophy at Cape Horn.

PubMed

Frodeman, Robert

2008-12-01

In the twentieth century, philosophy (especially within the United States) embraced the notion of disciplinary expertise: philosophical research consists of working with and writing for other philosophers. Projects that involve non-philosophers earn the deprecating title of "applied" philosophy. The University of North Texas (UNT) doctoral program in philosophy exemplifies the possibility of a new model for philosophy, where graduate students are trained in academic philosophy and in how to work with scientists, engineers, and policy makers. This "field" (rather than "applied") approach emphasizes the inter- and transdisciplinary nature of the philosophical enterprise where theory and practice dialectically inform one another. UNT's field station in philosophy at Cape Horn, Patagonia, Chile is one site for developing this ongoing experiment in the theory and practice of interdisciplinary philosophic research and education.

Hamiltonian Anomalies from Extended Field Theories

NASA Astrophysics Data System (ADS)

Monnier, Samuel

2015-09-01

We develop a proposal by Freed to see anomalous field theories as relative field theories, namely field theories taking value in a field theory in one dimension higher, the anomaly field theory. We show that when the anomaly field theory is extended down to codimension 2, familiar facts about Hamiltonian anomalies can be naturally recovered, such as the fact that the anomalous symmetry group admits only a projective representation on the Hilbert space, or that the latter is really an abelian bundle gerbe over the moduli space. We include in the discussion the case of non-invertible anomaly field theories, which is relevant to six-dimensional (2, 0) superconformal theories. In this case, we show that the Hamiltonian anomaly is characterized by a degree 2 non-abelian group cohomology class, associated to the non-abelian gerbe playing the role of the state space of the anomalous theory. We construct Dai-Freed theories, governing the anomalies of chiral fermionic theories, and Wess-Zumino theories, governing the anomalies of Wess-Zumino terms and self-dual field theories, as extended field theories down to codimension 2.

Attraction between Opposing Planar Dipolar Polymer Brushes

DOE PAGES

Mahalik, J. P.; Sumpter, Bobby G.; Kumar, Rajeev

2017-08-01

In this paper, we use a field theory approach to study the effects of permanent dipoles on interpenetration and free energy changes as a function of distance between two identical planar polymer brushes. Melts (i.e., solvent-free) and solvated brushes made up of polymers grafted on nonadsorbing substrates are studied. In particular, the weak coupling limit of the dipolar interactions is considered, which leads to concentration-dependent pairwise interactions, and the effects of orientational order are neglected. It is predicted that a gradual increase in the dipole moment of the polymer segments can lead to attractive interactions between the brushes at intermediatemore » separation distances. Finally, because classical theory of polymer brushes based on the strong stretching limit (SSL) and the standard self-consistent field theory (SCFT) simulations using the Flory’s χ parameter always predicts repulsive interactions at all separations, our work highlights the importance of dipolar interactions in tailoring and accurately predicting forces between polar polymeric interfaces in contact with each other.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mahalik, J. P.; Sumpter, Bobby G.; Kumar, Rajeev

In this paper, we use a field theory approach to study the effects of permanent dipoles on interpenetration and free energy changes as a function of distance between two identical planar polymer brushes. Melts (i.e., solvent-free) and solvated brushes made up of polymers grafted on nonadsorbing substrates are studied. In particular, the weak coupling limit of the dipolar interactions is considered, which leads to concentration-dependent pairwise interactions, and the effects of orientational order are neglected. It is predicted that a gradual increase in the dipole moment of the polymer segments can lead to attractive interactions between the brushes at intermediatemore » separation distances. Finally, because classical theory of polymer brushes based on the strong stretching limit (SSL) and the standard self-consistent field theory (SCFT) simulations using the Flory’s χ parameter always predicts repulsive interactions at all separations, our work highlights the importance of dipolar interactions in tailoring and accurately predicting forces between polar polymeric interfaces in contact with each other.« less

SU(3) Landau gauge gluon and ghost propagators using the logarithmic lattice gluon field definition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ilgenfritz, Ernst-Michael; Humboldt-Universitaet zu Berlin, Institut fuer Physik, 12489 Berlin; Menz, Christoph

2011-03-01

We study the Landau gauge gluon and ghost propagators of SU(3) gauge theory, employing the logarithmic definition for the lattice gluon fields and implementing the corresponding form of the Faddeev-Popov matrix. This is necessary in order to consistently compare lattice data for the bare propagators with that of higher-loop numerical stochastic perturbation theory. In this paper we provide such a comparison, and introduce what is needed for an efficient lattice study. When comparing our data for the logarithmic definition to that of the standard lattice Landau gauge we clearly see the propagators to be multiplicatively related. The data of themore » associated ghost-gluon coupling matches up almost completely. For the explored lattice spacings and sizes discretization artifacts, finite size, and Gribov-copy effects are small. At weak coupling and large momentum, the bare propagators and the ghost-gluon coupling are seen to be approached by those of higher-order numerical stochastic perturbation theory.« less

Axial U(1) current in Grabowska and Kaplan's formulation

NASA Astrophysics Data System (ADS)

Hamada, Yu; Kawai, Hikaru

2017-06-01

Recently, Grabowska and Kaplan [Phys. Rev. Lett. 116, 211602 (2016); Phys. Rev. D 94, 114504 (2016)] suggested a nonperturbative formulation of a chiral gauge theory, which consists of the conventional domain-wall fermion and a gauge field that evolves by gradient flow from one domain wall to the other. We introduce two sets of domain-wall fermions belonging to complex conjugate representations so that the effective theory is a 4D vector-like gauge theory. Then, as a natural definition of the axial-vector current, we consider a current that generates simultaneous phase transformations for the massless modes in 4 dimensions. However, this current is exactly conserved and does not reproduce the correct anomaly. In order to investigate this point precisely, we consider the mechanism of the conservation. We find that this current includes not only the axial current on the domain wall but also a contribution from the bulk, which is nonlocal in the sense of 4D fields. Therefore, the local current is obtained by subtracting the bulk contribution from it.

Quantum mechanical force field for hydrogen fluoride with explicit electronic polarization.

PubMed

Mazack, Michael J M; Gao, Jiali

2014-05-28

The explicit polarization (X-Pol) theory is a fragment-based quantum chemical method that explicitly models the internal electronic polarization and intermolecular interactions of a chemical system. X-Pol theory provides a framework to construct a quantum mechanical force field, which we have extended to liquid hydrogen fluoride (HF) in this work. The parameterization, called XPHF, is built upon the same formalism introduced for the XP3P model of liquid water, which is based on the polarized molecular orbital (PMO) semiempirical quantum chemistry method and the dipole-preserving polarization consistent point charge model. We introduce a fluorine parameter set for PMO, and find good agreement for various gas-phase results of small HF clusters compared to experiments and ab initio calculations at the M06-2X/MG3S level of theory. In addition, the XPHF model shows reasonable agreement with experiments for a variety of structural and thermodynamic properties in the liquid state, including radial distribution functions, interaction energies, diffusion coefficients, and densities at various state points.

A simple proof of orientability in colored group field theory.

PubMed

Caravelli, Francesco

2012-01-01

Group field theory is an emerging field at the boundary between Quantum Gravity, Statistical Mechanics and Quantum Field Theory and provides a path integral for the gluing of n-simplices. Colored group field theory has been introduced in order to improve the renormalizability of the theory and associates colors to the faces of the simplices. The theory of crystallizations is instead a field at the boundary between graph theory and combinatorial topology and deals with n-simplices as colored graphs. Several techniques have been introduced in order to study the topology of the pseudo-manifold associated to the colored graph. Although of the similarity between colored group field theory and the theory of crystallizations, the connection between the two fields has never been made explicit. In this short note we use results from the theory of crystallizations to prove that color in group field theories guarantees orientability of the piecewise linear pseudo-manifolds associated to each graph generated perturbatively. Colored group field theories generate orientable pseudo-manifolds. The origin of orientability is the presence of two interaction vertices in the action of colored group field theories. In order to obtain the result, we made the connection between the theory of crystallizations and colored group field theory.

N = (2,0) self-dual non-Abelian tensor multiplet in D = 3 + 3 generates N = (1,1) self-dual systems in D = 2 + 2

NASA Astrophysics Data System (ADS)

Nishino, Hitoshi; Rajpoot, Subhash

2018-03-01

We formulate an N = (2 , 0) system in D = 3 + 3 dimensions consisting of a Yang-Mills (YM)-multiplet (ˆ μ ˆ IA, λˆI), a self-dual non-Abelian tensor multiplet (ˆ μ ˆ ν ˆ IB, χˆI ,φˆI), and an extra vector multiplet (C ˆ μ ˆ IC, ρˆI). We next perform the dimensional reductions of this system into D = 2 + 2, and obtain N = (1 , 1) systems with a self-dual YM-multiplet (AIμ ,λI), a self-dual tensor multiplet (BIμν , χI , φI), and an extra vector multiplet (CIμ , ρI). In D = 2 + 2, we reach two distinct theories: 'Theory-I' and 'Theory-II'. The former has the self-dual field-strength Hμν(+)I of CIμ already presented in our recent paper, while the latter has anti-self-dual field strength Hμν(-)I. As an application, we show that Theory-II actually generates supersymmetric-KdV equations in D = 1 + 1. Our result leads to a new conclusion that the D = 3 + 3 theory with non-Abelian tensor multiplet can be a 'Grand Master Theory' for self-dual multiplet and self-dual YM-multiplet in D = 2 + 2, that in turn has been conjectured to be the 'Master Theory' for all supersymmetric integrable theories in D ≤ 3.

Weak scattering of scalar and electromagnetic random fields

NASA Astrophysics Data System (ADS)

Tong, Zhisong

This dissertation encompasses several studies relating to the theory of weak potential scattering of scalar and electromagnetic random, wide-sense statistically stationary fields from various types of deterministic or random linear media. The proposed theory is largely based on the first Born approximation for potential scattering and on the angular spectrum representation of fields. The main focus of the scalar counterpart of the theory is made on calculation of the second-order statistics of scattered light fields in cases when the scattering medium consists of several types of discrete particles with deterministic or random potentials. It is shown that the knowledge of the correlation properties for the particles of the same and different types, described with the newly introduced pair-scattering matrix, is crucial for determining the spectral and coherence states of the scattered radiation. The approach based on the pair-scattering matrix is then used for solving an inverse problem of determining the location of an "alien" particle within the scattering collection of "normal" particles, from several measurements of the spectral density of scattered light. Weak scalar scattering of light from a particulate medium in the presence of optical turbulence existing between the scattering centers is then approached using the combination of the Born's theory for treating the light interaction with discrete particles and the Rytov's theory for light propagation in extended turbulent medium. It is demonstrated how the statistics of scattered radiation depend on scattering potentials of particles and the power spectra of the refractive index fluctuations of turbulence. This theory is of utmost importance for applications involving atmospheric and oceanic light transmission. The second part of the dissertation includes the theoretical procedure developed for predicting the second-order statistics of the electromagnetic random fields, such as polarization and linear momentum, scattered from static media. The spatial distribution of these properties of scattered fields is shown to be substantially dependent on the correlation and polarization properties of incident fields and on the statistics of the refractive index distribution within the scatterers. Further, an example is considered which illustrates the usefulness of the electromagnetic scattering theory of random fields in the case when the scattering medium is a thin bio-tissue layer with the prescribed power spectrum of the refractive index fluctuations. The polarization state of the scattered light is shown to be influenced by correlation and polarization states of the illumination as well as by the particle size distribution of the tissue slice.

Compression induced phase transition of nematic brush: A mean-field theory study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tang, Jiuzhou; Zhang, Xinghua, E-mail: zhangxh@bjtu.edu.cn; Yan, Dadong, E-mail: yandd@bnu.edu.cn

2015-11-28

Responsive behavior of polymer brush to the external compression is one of the most important characters for its application. For the flexible polymer brush, in the case of low grafting density, which is widely studied by the Gaussian chain model based theory, the compression leads to a uniform deformation of the chain. However, in the case of high grafting density, the brush becomes anisotropic and the nematic phase will be formed. The normal compression tends to destroy the nematic order, which leads to a complex responsive behaviors. Under weak compression, chains in the nematic brush are buckled, and the bendingmore » energy and Onsager interaction give rise to the elasticity. Under deep compression, the responsive behaviors of the nematic polymer brush depend on the chain rigidity. For the compressed rigid polymer brush, the chains incline to re-orientate randomly to maximize the orientational entropy and its nematic order is destroyed. For the compressed flexible polymer brush, the chains incline to fold back to keep the nematic order. A buckling-folding transition takes place during the compressing process. For the compressed semiflexible brush, the chains are collectively tilted to a certain direction, which leads to the breaking of the rotational symmetry in the lateral plane. These responsive behaviors of nematic brush relate to the properties of highly frustrated worm-like chain, which is hard to be studied by the traditional self-consistent field theory due to the difficulty to solve the modified diffusion equation. To overcome this difficulty, a single chain in mean-field theory incorporating Monte Carlo simulation and mean-field theory for the worm-like chain model is developed in present work. This method shows high performance for entire region of chain rigidity in the confined condition.« less

Lorentzian Goldstone modes shared among photons and gravitons

NASA Astrophysics Data System (ADS)

Chkareuli, J. L.; Jejelava, J.; Kepuladze, Z.

2018-02-01

It has long been known that photons and gravitons may appear as vector and tensor Goldstone modes caused by spontaneous Lorentz invariance violation (SLIV). Usually this approach is considered for photons and gravitons separately. We develop the emergent electrogravity theory consisting of the ordinary QED and the tensor-field gravity model which mimics the linearized general relativity in Minkowski spacetime. In this theory, Lorentz symmetry appears incorporated into higher global symmetries of the length-fixing constraints put on the vector and tensor fields involved, A_{μ }2=± MA2 and H_{μ ν }2=± MH2 (MA and MH are the proposed symmetry breaking scales). We show that such a SLIV pattern being related to breaking of global symmetries underlying these constraints induces the massless Goldstone and pseudo-Goldstone modes shared by photon and graviton. While for a vector field case the symmetry of the constraint coincides with Lorentz symmetry SO(1, 3) of the electrogravity Lagrangian, the tensor-field constraint itself possesses much higher global symmetry SO(7, 3), whose spontaneous violation provides a sufficient number of zero modes collected in a graviton. Accordingly, while the photon may only contain true Goldstone modes, the graviton appears at least partially to be composed of pseudo-Goldstone modes rather than of pure Goldstone ones. When expressed in terms of these modes, the theory looks essentially nonlinear and contains a variety of Lorentz and CPT violating couplings. However, all SLIV effects turn out to be strictly cancelled in the lowest order processes considered in some detail. How this emergent electrogravity theory could be observationally different from conventional QED and GR theories is also briefly discussed.

Theory and analysis of a large field polarization imaging system with obliquely incident light.

PubMed

Lu, Xiaotian; Jin, Weiqi; Li, Li; Wang, Xia; Qiu, Su; Liu, Jing

2018-02-05

Polarization imaging technology provides information about not only the irradiance of a target but also the polarization degree and angle of polarization, which indicates extensive application potential. However, polarization imaging theory is based on paraxial optics. When a beam of obliquely incident light passes an analyser, the direction of light propagation is not perpendicular to the surface of the analyser and the applicability of the traditional paraxial optical polarization imaging theory is challenged. This paper investigates a theoretical model of a polarization imaging system with obliquely incident light and establishes a polarization imaging transmission model with a large field of obliquely incident light. In an imaging experiment with an integrating sphere light source and rotatable polarizer, the polarization imaging transmission model is verified and analysed for two cases of natural light and linearly polarized light incidence. Although the results indicate that the theoretical model is consistent with the experimental results, the theoretical model distinctly differs from the traditional paraxial approximation model. The results prove the accuracy and necessity of the theoretical model and the theoretical guiding significance for theoretical and systematic research of large field polarization imaging.

Ion solvation in polymer blends and block copolymer melts: effects of chain length and connectivity on the reorganization of dipoles.

PubMed

Nakamura, Issei

2014-05-29

We studied the thermodynamic properties of ion solvation in polymer blends and block copolymer melts and developed a dipolar self-consistent field theory for polymer mixtures. Our theory accounts for the chain connectivity of polymerized monomers, the compressibility of the liquid mixtures under electrostriction, the permanent and induced dipole moments of monomers, and the resultant dielectric contrast among species. In our coarse-grained model, dipoles are attached to the monomers and allowed to rotate freely in response to electrostatic fields. We demonstrate that a strong electrostatic field near an ion reorganizes dipolar monomers, resulting in nonmonotonic changes in the volume fraction profile and the dielectric function of the polymers with respect to those of simple liquid mixtures. For the parameter sets used, the spatial variations near an ion can be in the range of 1 nm or larger, producing significant differences in the solvation energy among simple liquid mixtures, polymer blends, and block copolymers. The solvation energy of an ion depends substantially on the chain length in block copolymers; thus, our theory predicts the preferential solvation of ions arising from differences in chain length.

Hairy black holes and duality in an extended supergravity model

NASA Astrophysics Data System (ADS)

Anabalón, Andrés; Astefanesei, Dumitru; Gallerati, Antonio; Trigiante, Mario

2018-04-01

We consider a D = 4, N=2 gauged supergravity with an electromagnetic Fayet-Iliopoulos term. We restrict to the uncharged, single dilaton consistent truncation and point out that the bulk Lagrangian is self-dual under electromagnetic duality. Within this truncation, we construct two families of exact hairy black hole solutions, which are asymptotically AdS 4. When a duality transformation is applied on these solutions, they are mapped to two other inequivalent families of hairy black hole solutions. The mixed boundary conditions of the scalar field correspond to adding a triple-trace operator to the dual field theory action. We also show that this truncation contains all the consistent single dilaton truncations of gauged N=8 supergravity with a possible ω-deformation.

The binding domain of the HMGB1 inhibitor carbenoxolone: Theory and experiment

NASA Astrophysics Data System (ADS)

Mollica, Luca; Curioni, Alessandro; Andreoni, Wanda; Bianchi, Marco E.; Musco, Giovanna

2008-05-01

We present a combined computational and experimental study of the interaction of the Box A of the HMGB1 protein and carbenoxolone, an inhibitor of its pro-inflammatory activity. The computational approach consists of classical molecular dynamics (MD) simulations based on the GROMOS force field with quantum-refined (QRFF) atomic charges for the ligand. Experimental data consist of fluorescence intensities, chemical shift displacements, saturation transfer differences and intermolecular Nuclear Overhauser Enhancement signals. Good agreement is found between observations and the conformation of the ligand-protein complex resulting from QRFF-MD. In contrast, simple docking procedures and MD based on the unrefined force field provide models inconsistent with experiment. The ligand-protein binding is dominated by non-directional interactions.

A molecularly based theory for electron transfer reorganization energy.

PubMed

Zhuang, Bilin; Wang, Zhen-Gang

2015-12-14

Using field-theoretic techniques, we develop a molecularly based dipolar self-consistent-field theory (DSCFT) for charge solvation in pure solvents under equilibrium and nonequilibrium conditions and apply it to the reorganization energy of electron transfer reactions. The DSCFT uses a set of molecular parameters, such as the solvent molecule's permanent dipole moment and polarizability, thus avoiding approximations that are inherent in treating the solvent as a linear dielectric medium. A simple, analytical expression for the free energy is obtained in terms of the equilibrium and nonequilibrium electrostatic potential profiles and electric susceptibilities, which are obtained by solving a set of self-consistent equations. With no adjustable parameters, the DSCFT predicts activation energies and reorganization energies in good agreement with previous experiments and calculations for the electron transfer between metallic ions. Because the DSCFT is able to describe the properties of the solvent in the immediate vicinity of the charges, it is unnecessary to distinguish between the inner-sphere and outer-sphere solvent molecules in the calculation of the reorganization energy as in previous work. Furthermore, examining the nonequilibrium free energy surfaces of electron transfer, we find that the nonequilibrium free energy is well approximated by a double parabola for self-exchange reactions, but the curvature of the nonequilibrium free energy surface depends on the charges of the electron-transferring species, contrary to the prediction by the linear dielectric theory.

Hydrodynamic theory of diffusion in two-temperature multicomponent plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ramshaw, J.D.; Chang, C.H.

Detailed numerical simulations of multicomponent plasmas require tractable expressions for species diffusion fluxes, which must be consistent with the given plasma current density J{sub q} to preserve local charge neutrality. The common situation in which J{sub q} = 0 is referred to as ambipolar diffusion. The use of formal kinetic theory in this context leads to results of formidable complexity. We derive simple tractable approximations for the diffusion fluxes in two-temperature multicomponent plasmas by means of a generalization of the hydrodynamical approach used by Maxwell, Stefan, Furry, and Williams. The resulting diffusion fluxes obey generalized Stefan-Maxwell equations that contain drivingmore » forces corresponding to ordinary, forced, pressure, and thermal diffusion. The ordinary diffusion fluxes are driven by gradients in pressure fractions rather than mole fractions. Simplifications due to the small electron mass are systematically exploited and lead to a general expression for the ambipolar electric field in the limit of infinite electrical conductivity. We present a self-consistent effective binary diffusion approximation for the diffusion fluxes. This approximation is well suited to numerical implementation and is currently in use in our LAVA computer code for simulating multicomponent thermal plasmas. Applications to date include a successful simulation of demixing effects in an argon-helium plasma jet, for which selected computational results are presented. Generalizations of the diffusion theory to finite electrical conductivity and nonzero magnetic field are currently in progress.« less

Transitioning NWChem to the Next Generation of Manycore Machines

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bylaska, Eric J.; Apra, Edoardo; Kowalski, Karol

The NorthWest Chemistry (NWChem) modeling software is a popular molecular chemistry simulation software that was designed from the start to work on massively parallel processing supercomputers[6, 28, 49]. It contains an umbrella of modules that today includes Self Consistent Field (SCF), second order Mller-Plesset perturbation theory (MP2), Coupled Cluster, multi-conguration selfconsistent eld (MCSCF), selected conguration interaction (CI), tensor contraction engine (TCE) many body methods, density functional theory (DFT), time-dependent density functional theory (TDDFT), real time time-dependent density functional theory, pseudopotential plane-wave density functional theory (PSPW), band structure (BAND), ab initio molecular dynamics, Car-Parrinello molecular dynamics, classical molecular dynamics (MD), QM/MM,more » AIMD/MM, GIAO NMR, COSMO, COSMO-SMD, and RISM solvation models, free energy simulations, reaction path optimization, parallel in time, among other capabilities[ 22]. Moreover new capabilities continue to be added with each new release.« less

Exploring the feasibility of theory synthesis: A worked example in the field of health related risk-taking

PubMed Central

Pound, Pandora; Campbell, Rona

2015-01-01

The idea of synthesising theory is receiving attention within public health as part of a drive to design theoretically informed interventions. Theory synthesis is not a new idea, however, having been debated by sociologists for several decades. We consider the various methodological approaches to theory synthesis and test the feasibility of one such approach by synthesising a small number of sociological theories relevant to health related risk-taking. The synthesis consisted of three stages: (i) synthesis preparation, wherein parts of relevant theories were extracted and summarised; (ii) synthesis which involved comparing theories for points of convergence and divergence and bringing together those points that converge; and (iii) synthesis refinement whereby the synthesis was interrogated for further theoretical insights. Our synthesis suggests that serious and sustained risk-taking is associated with social isolation, liminality and a person's position in relation to the dominant social group. We reflect upon the methodological and philosophical issues raised by the practice of theory synthesis, concluding that it has the potential to reinvigorate theory and make it more robust and accessible for practical application. PMID:25461862

Supersymmetric attractors, topological strings, and the M5-brane CFT

NASA Astrophysics Data System (ADS)

Guica, Monica M.

One of the purposes of this thesis is to present the consistent and unifying picture that emerges in string and M-theory with eight supercharges. On one hand, this involves classifying and relating supersymmetric objects that occur in N = 2 compactifications of string and M-theory on a Calabi-Yau manifold. These come in a surprisingly wide variety of four and five-dimensional black holes, black rings and their sometimes very complicated bound states. On the other hand, the topological string also makes its appearance in theories with eight supercharges, and turns out to compute certain black hole degeneracies. We dedicate the introduction and the first chapter to summarizing and reviewing the beautiful relationships between black holes, black rings, their dual conformal field theory and the topological string, and we also outline the remaining puzzles and issues. Some of the black holes in question can be obtained by multiply-wrapping an M-theory M5-brane on a self-intersecting four-cycle in the Calabi-Yau manifold. Their dual microscopic description is known, and consists of a two-dimensional conformal field theory (CFT) which is the low-energy limit of the gauge theory that resides on the worldvolume of the M5 brane. We show that in a certain limit the M5-brane CFT is - perhaps surprisingly - able to reproduce the entropy of a completely different type of black holes, those obtained from wrapped M2-branes, whose microscopic description has not yet been understood. We also argue that certain black hole bound states should also be described by the same CFT, which suggests a unifying description of the various black objects in eight-supercharge supergravity theories. Finally, we describe and present a proof of the so-called OSV conjecture, which states that the mixed partition function of N = 2 four-dimensional BPS black holes equals the modulus square of the type A topological string partition function. We also attempt to use this relationship to better understand corrections to the entropy of supersymmetric black holes and rings in five dimensions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ellis, John; Evans, Jason L.; Nagata, Natsumi

We reconsider the minimal SU( 5) grand unified theory (GUT) in the context of no-scale supergravity inspired by string compactification scenarios, assuming that the soft supersymmetry-breaking parameters satisfy universality conditions at some input scale M in above the GUT scale M GUT. When setting up such a no-scale super-GUT model, special attention must be paid to avoiding the Scylla of rapid proton decay and the Charybdis of an excessive density of cold dark matter, while also having an acceptable mass for the Higgs boson. Furthermore, we do not find consistent solutions if none of the matter and Higgs fields aremore » assigned to twisted chiral supermultiplets, even in the presence of Giudice–Masiero terms. But, consistent solutions may be found if at least one fiveplet of GUT Higgs fields is assigned to a twisted chiral supermultiplet, with a suitable choice of modular weights. Spin-independent dark matter scattering may be detectable in some of these consistent solutions.« less

Sign Switch of Gaussian Bending Modulus for Microemulsions: A Self-Consistent Field Analysis Exploring Scale Invariant Curvature Energies

NASA Astrophysics Data System (ADS)

Varadharajan, Ramanathan; Leermakers, Frans A. M.

2018-01-01

Bending rigidities of tensionless balanced liquid-liquid interfaces as occurring in microemulsions are predicted using self-consistent field theory for molecularly inhomogeneous systems. Considering geometries with scale invariant curvature energies gives unambiguous bending rigidities for systems with fixed chemical potentials: the minimal surface I m 3 m cubic phase is used to find the Gaussian bending rigidity κ ¯, and a torus with Willmore energy W =2 π2 allows for direct evaluation of the mean bending modulus κ . Consistent with this, the spherical droplet gives access to 2 κ +κ ¯. We observe that κ ¯ tends to be negative for strong segregation and positive for weak segregation, a finding which is instrumental for understanding phase transitions from a lamellar to a spongelike microemulsion. Invariably, κ remains positive and increases with increasing strength of segregation.

Model of chiral spin liquids with Abelian and non-Abelian topological phases

NASA Astrophysics Data System (ADS)

Chen, Jyong-Hao; Mudry, Christopher; Chamon, Claudio; Tsvelik, A. M.

2017-12-01

We present a two-dimensional lattice model for quantum spin-1/2 for which the low-energy limit is governed by four flavors of strongly interacting Majorana fermions. We study this low-energy effective theory using two alternative approaches. The first consists of a mean-field approximation. The second consists of a random phase approximation (RPA) for the single-particle Green's functions of the Majorana fermions built from their exact forms in a certain one-dimensional limit. The resulting phase diagram consists of two competing chiral phases, one with Abelian and the other with non-Abelian topological order, separated by a continuous phase transition. Remarkably, the Majorana fermions propagate in the two-dimensional bulk, as in the Kitaev model for a spin liquid on the honeycomb lattice. We identify the vison fields, which are mobile (they are static in the Kitaev model) domain walls propagating along only one of the two space directions.

Reformulation of Nonlinear Anisotropic Crystal Elastoplasticity for Impact Physics

DTIC Science & Technology

2015-03-01

interest include metals, ceramics , minerals, and energetic materials . Accurate, efficient, stable, and thermodynamically consistent models for...Clayton JD. Phase field theory and analysis of pressure-shear induced amorphization and failure in boron carbide ceramic . AIMS Materials Science. 2014;1...of Nonlinear Anisotropic Crystal Elastoplasticity for Impact Physics by JD Clayton Weapons and Materials Research Directorate, ARL

Braneworld gravity within non-conservative gravitational theory

NASA Astrophysics Data System (ADS)

Fabris, J. C.; Caramês, Thiago R. P.; da Silva, J. M. Hoff

2018-05-01

We investigate the braneworld gravity starting from the non-conservative gravitational field equations in a five-dimensional bulk. The approach is based on the Gauss-Codazzi formalism along with the study of the braneworld consistency conditions. The effective gravitational equations on the brane are obtained and the constraint leading to a brane energy-momentum conservation is analyzed.

From Puggy to Larry: Poetry from "Gathering Light."

ERIC Educational Resources Information Center

Santoro, Lawrence

This paper contains a poetry reading presented to a meeting on poetic narrative and educational development. The presentation was based on the theory that the field of philosophy of education should include the realm of the possible as created and populated by the imagination, and often portrayed by works of art. The poems consist of attempts to…

D term and the structure of pointlike and composed spin-0 particles

NASA Astrophysics Data System (ADS)

Hudson, Jonathan; Schweitzer, Peter

2017-12-01

This work deals with form factors of the energy-momentum tensor (EMT) of spin-0 particles and the unknown particle property D term related to the EMT, and it is divided into three parts. The first part explores free, weakly and strongly interacting theories to study EMT form factors with the following findings. (i) The free Klein-Gordon theory predicts for the D term D =-1 . (ii) Even infinitesimally small interactions can drastically impact D . (iii) In strongly interacting theories one can encounter large negative D though notable exceptions exist, which include Goldstone bosons of chiral symmetry breaking. (iv) Contrary to common belief one cannot arbitrarily add "total derivatives" to the EMT. Rather the EMT must be defined in an unambiguous way. The second part deals with the interpretation of the information content of EMT form factors in terms of 3D densities with the following results. (i) The 3D-density formalism is internally consistent. (ii) The description is subject to relativistic corrections but those are acceptably small in phenomenologically relevant situations including nucleons and nuclei. (iii) The free-field result D =-1 persists when a spin-0 boson is not pointlike but "heuristically given some internal structure." The third part investigates the question of whether such "giving of an extended structure" can be implemented dynamically, and it has the following insights. (i) We construct a consistent microscopic theory which, in a certain parametric limit, interpolates between extended and pointlike solutions. (ii) This theory is exactly solvable which is rare in 3 +1 dimensions, admits nontopological solitons of Q -ball type, and has a Gaussian field amplitude. (iii) The interaction of this theory belongs to a class of logarithmic potentials which were discussed in the literature, albeit in different contexts including beyond-standard-model phenomenology, cosmology, and Higgs physics.

Evaluating theories of bird song learning: implications for future directions.

PubMed

Margoliash, D

2002-12-01

Studies of birdsong learning have stimulated extensive hypotheses at all levels of behavioral and physiological organization. This hypothesis building is valuable for the field and is consistent with the remarkable range of issues that can be rigorously addressed in this system. The traditional instructional (template) theory of song learning has been challenged on multiple fronts, especially at a behavioral level by evidence consistent with selectional hypotheses. In this review I highlight the caveats associated with these theories to better define the limits of our knowledge and identify important experiments for the future. The sites and representational forms of the various conceptual entities posited by the template theory are unknown. The distinction between instruction and selection in vocal learning is not well established at a mechanistic level. There is as yet insufficient neurophysiological data to choose between competing mechanisms of error-driven learning and reinforcement learning. Both may obtain for vocal learning. The possible role of sleep in acoustic or procedural memory consolidation, while supported by some physiological observations, does not yet have support in the behavioral literature. The remarkable expansion of knowledge in the past 20 years and the recent development of new technologies for physiological and behavioral experiments should permit direct tests of these theories in the coming decade.

Multireference second order perturbation theory with a simplified treatment of dynamical correlation.

PubMed

Xu, Enhua; Zhao, Dongbo; Li, Shuhua

2015-10-13

A multireference second order perturbation theory based on a complete active space configuration interaction (CASCI) function or density matrix renormalized group (DMRG) function has been proposed. This method may be considered as an approximation to the CAS/A approach with the same reference, in which the dynamical correlation is simplified with blocked correlated second order perturbation theory based on the generalized valence bond (GVB) reference (GVB-BCPT2). This method, denoted as CASCI-BCPT2/GVB or DMRG-BCPT2/GVB, is size consistent and has a similar computational cost as the conventional second order perturbation theory (MP2). We have applied it to investigate a number of problems of chemical interest. These problems include bond-breaking potential energy surfaces in four molecules, the spectroscopic constants of six diatomic molecules, the reaction barrier for the automerization of cyclobutadiene, and the energy difference between the monocyclic and bicyclic forms of 2,6-pyridyne. Our test applications demonstrate that CASCI-BCPT2/GVB can provide comparable results with CASPT2 (second order perturbation theory based on the complete active space self-consistent-field wave function) for systems under study. Furthermore, the DMRG-BCPT2/GVB method is applicable to treat strongly correlated systems with large active spaces, which are beyond the capability of CASPT2.

Runaway electron behavior in the Frascati Tokamak Upgrade (FTU)

NASA Astrophysics Data System (ADS)

Popovic, Zana; Martin-Solis, Jose Ramon; Esposito, Basilio; Marocco, Daniele; Causa, Federica; Buratti, Paolo; Boncagni, Luca; Carnevale, Daniele; Gospodarczyk, Mateusz

2016-10-01

Several recent experiments in the FTU tokamak are dedicated to the study of runaway electrons (RE), both in the flattop and disruption phases of the discharge. Experiments have been carried out to evaluate the threshold electric field for RE generation during the flattop of ohmic discharges. The measured threshold electric field during RE electron generation and suppression experiments for a wide range of plasma parameters is found to be 2-5 times larger than predicted by the relativistic collisional theory, ER = nee3ln Λ/4 πɛ02 mec2, and is consistent with an increase of the critical field due to the RE synchrotron radiation. Runaway evolution has been numerically simulated using a test particle model including toroidal electric field acceleration, collisions and synchrotron radiation losses. Estimates of RE energy distribution are consistent with the measurements of two recently installed RE diagnostics: HXR-camera and RE Imaging and Spectroscopy (REIS) system. Supported by MINECO (Spain), Projects ENE2012-31753.

Self-assembled microstructures of confined rod-coil diblock copolymers by self-consistent field theory.

PubMed

Yang, Guang; Tang, Ping; Yang, Yuliang; Wang, Qiang

2010-11-25

We employ the self-consistent field theory (SCFT) incorporating Maier-Saupe orientational interactions between rods to investigate the self-assembly of rod-coil diblock copolymers (RC DBC) in bulk and especially confined into two flat surfaces in 2D space. A unit vector defined on a spherical surface for describing the orientation of rigid blocks in 3D Euclidean space is discretized with an icosahedron triangular mesh to numerically integrate over rod orientation, which is confirmed to have numerical accuracy and stability higher than that of the normal Gaussian quadrature. For the hockey puck-shaped phases in bulk, geometrical confinement, i.e., the film thickness, plays an important role in the self-assembled structures' transitions for the neutral walls. However, for the lamellar phase (monolayer smectic-C) in bulk, the perpendicular lamellae are always stable, less dependent on the film thicknesses because they can relax to the bulk spacing with less-paid coil-stretching in thin films. In particular, a very thin rod layer near the surfaces is formed even in a very thin film. When the walls prefer rods, parallel lamellae are obtained, strongly dependent on the competition between the degree of the surface fields and film geometrical confinement, and the effect of surface field on lamellar structure as a function of film thickness is investigated. Our simulation results provide a guide to understanding the self-assembly of the rod-coil films with desirable application prospects in the fabrication of organic light emitting devices.

Further Development of HS Field Theory

NASA Astrophysics Data System (ADS)

Abdurrahman, Abdulmajeed; Faridani, Jacqueline; Gassem, Mahmoud

2006-04-01

We present a systematic treatment of the HS Field theory of the open bosonic string and discuss its relationship to other full string field theories of the open bosonic string such as Witten's theory and the CVS theory. In the development of the HS field theory we encounter infinite dimensional matrices arising from the change of representation between the two theories, i.e., the HS field theory and the full string field theory. We give a general procedure of how to invert these gigantic matrices. The inversion of these matrices involves the computation of many infinite sums. We give the values of these sums and state their generalizations arising from considering higher order vertices (i.e., more than three strings) in string field theory. Moreover, we give a general procedure, on how to evaluate the generalized sums, that can be extended to many generic sums of similar properties. We also discuss the conformal operator connecting the HS field theory to that of the CVS string field theory.

The Madison Dynamo Experiment

NASA Astrophysics Data System (ADS)

Bastian, N.; O'Connell, R.; Kendrick, R.; Goldwin, J.; Forest, C. B.

1998-11-01

A liquid metal magneto-hydrodynamic (MHD) experiment at the University of Wisconsin is being constructed in order to validate 3 key elements of MHD dynamo theory: magnetic instabilities driven by flow shear, the effects of turbulence on current generation (primarily the α and β effects) and the nature of saturation for these on these processes. The experiment consists of two main stages, the first of which uses water to test impeller designs that are used to generate flows capable of supporting a dynamo. Since water has nearly the same viscosity and mass density as sodium, it is the ideal substance with which to test our impeller designs. The second stage of the experiment uses a one meter diameter sphere filled with ≈ 200 gallons of liquid sodium to directly test MHD theory. Impellers will be used to impose flows on the liquid sodium that are predicted by MHD theory to lead to a growing magnetic field. In addition, large scale flows will lead to small-scale turbulence which can produce a dynamo effect and a current. This is known as the turbulent α-effect which we will attempt to observe. The MHD theory also predicts an anomalously high resistivity or magnetic diffusivity (the β-effect). Once a growing magnetic field is present it should be possible to measure the effect that the growing magnetic field has on the flow that created it.

Broken Symmetry

ScienceCinema

Englert, Francois

2018-05-24

- Physics, as we know it, attempts to interpret the diverse natural phenomena as particular manifestations of general laws. This vision of a world ruled by general testable laws is relatively recent in the history of mankind. Basically it was initiated by the Galilean inertial principle. The subsequent rapid development of large-scale physics is certainly tributary to the fact that gravitational and electromagnetic forces are long-range and hence can be perceived directly without the mediation of highly sophisticated technical devices. - The discovery of subatomic structures and of the concomitant weak and strong short-range forces raised the question of how to cope with short-range forces in relativistic quantum field theory. The Fermi theory of weak interactions, formulated in terms of point-like current-current interaction, was well-defined in lowest order perturbation theory and accounted for existing experimental data.However, it was inconsistent in higher orders because of uncontrollable divergent quantum fluctuations. In technical terms, in contradistinction to quantum electrodynamics, the Fermi theorywas not “renormalizable”. This difficulty could not be solved by smoothing the point-like interaction by a massive, and therefore short-range, charged “vector” particle exchange: theories with massive charged vector bosons were not renormalizable either. In the early nineteen sixties, there seemed to be insuperable obstacles to formulating a consistent theory with short-range forces mediated by massive vectors. - The breakthrough came from the notion of spontaneous symmetry breaking which arose in the study of phase transitions and was introduced in field theory by Nambu in 1960. - Ferromagnets illustrate the notion in phase transitions. Although no direction is dynamically preferred, the magnetization selects a global orientation. This is a spontaneous broken symmetry(SBS)of rotational invariance. Such continuous SBS imply the existence of “massless” modes (here spin-waves), which are the ancestors of the NG bosons discussed below. Fluctuations of the order parameter (the magnetization) are described by a “massive” SBS mode. - In field theory, Nambu showed that broken chiral symmetry from a spontaneous generation of hadron masses induces massless pseudoscalar modes (identified with a massless limit of pion fields). This illustrates a general phenomenon made explicit by Goldstone: massless Nambu-Goldstone (NG) bosons are a necessary concomitant of spontaneously broken continuous symmetries. Massive SBS scalars bosons describe, as in phase transitions, the fluctuations of the SBS order parameters. - In 1964, with Robert Brout, we discovered a mechanism based on SBS by which short range interactions are generated from long range ones. A similar proposal was then made independently by Higgs in a different approach. Qualitatively, our mechanism works as follows. The long range fundamental electromagnetic and gravitational interactions are governed by extended symmetries,called gauge symmetries, which were supposed to guarantee that the elementary field constituents which transmit the forces, photons or gravitons, be massless. We considered a generalization of the electromagnetic “vector” field, known as Yang-Mills fields, and coupled them to fields which acquire from SBS constant values in the vacuum. These fields pervade space, as did magnetization, but they have no spatial orientation: they are “scalar’’ fields. The vector Yang-Mills fields which interact with the scalar fields become massive and hence the forces they mediate become short ranged. We also showed that the mechanism can survive in absence of elementary scalar fields. - Because of the extended symmetries, the nature of SBS is profoundly altered: the NG fields are absorbed into the massive vector Yang-Mills fields and restore the gauge symmetry. This has a dramatic consequence. To confront precision experiments, the mechanism should be consistent at the quantum mechanical level, or in technical terms, should yield a “renormalizable” theory. From our analysis of the preserved gauge symmetry, we suggested in 1966 that this is indeed the case, in contradistinction to the aforementioned earlier theories of charged massive vector fields. The full proof of “renormalizability” is subtle and was achieved in the impressive work of ‘t Hooft and Veltman. One gains some insight into the subtleties by making explicit the equivalence of Higgs’ approach with ours. - To a large extend, the LHC was build to detect the massive SBS scalar boson, i.e. the fluctuations of the scalar field. More elaborate realizations of the mechanism without elementary scalars are possible, but their experimental confirmation may (or may not) be outside the scope of present available technology. - The mechanism of Brout, Englert and Higgs unified in the same theoretical framework short- and long-range forces. It became the cornerstone of the electroweak theory and opened the way to a modern view on unified laws of nature.

Electric field measurements during the Condor critical velocity experiment

NASA Technical Reports Server (NTRS)

Kelley, M. C.; Pfaff, R. F.; Haerendel, G.

1986-01-01

The instrumentation of the Condor critical velocity Ba experiment (Wescott et al., 1986) for the measurements of the energetic particles and the electric field associated with a Ba explosion is described. The Ba explosion created a complex electric field pulse detected in situ by a single-axis double electric-field probe on a separate spacecraft. The measurements provide evidence of several important links in the critical-velocity chain, and are consistent with two hypotheses. The first hypothesis involves the creation of large polarization electric field due to charge separation; the second hypothesis implies a polarization of the beam by currents flowing across it. The chain of physical processes inferred from the observations is in agreement with most theories for the Alfven process.

Horizontal electric fields from lightning return strokes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thomson, E.M.; Uman, M.A.; Johnson, J.

1985-01-01

Measurements are presented of simultaneous horizontal and vertical electric fields from both close and distant lightning return strokes. The data were obtained during summer 1984 at the Kennedy Space Center, Florida, using an electrically isolated spherical antenna having a system bandwidth of 3 Hz to 5 MHz. Lightning signals were obtained from flashes at distances from a few to 100 kilometers. Since the horizontal electric field is in part determined by the local ground conductivity, that parameter was measured as a function of depth. The horizontal fields from lightning return strokes had typically 1/50 the peak amplitude of the verticalmore » fields and waveshapes which were consistant with available theory, as expressed by the ''wavetilt'' formula.« less

Subliminal influence on preferences? A test of evaluative conditioning for brief visual conditioned stimuli using auditory unconditioned stimuli

PubMed Central

2017-01-01

In the field of evaluative conditioning (EC), two opposing theories—propositional single-process theory versus dual-process theory—are currently being discussed in the literature. The present set of experiments test a crucial prediction to adjudicate between these two theories: Dual-process theory postulates that evaluative conditioning can occur without awareness of the contingency between conditioned stimulus (CS) and unconditioned stimulus (US); in contrast, single-process propositional theory postulates that EC requires CS-US contingency awareness. In a set of three studies, we experimentally manipulate contingency awareness by presenting the CSs very briefly, thereby rendering it unlikely to be processed consciously. We address potential issues with previous studies on EC with subliminal or near-threshold CSs that limited their interpretation. Across two experiments, we consistently found an EC effect for CSs presented for 1000 ms and consistently failed to find an EC effect for briefly presented CSs. In a third pre-registered experiment, we again found evidence for an EC effect with CSs presented for 1000 ms, and we found some indication for an EC effect for CSs presented for 20 ms. PMID:28989730

Microscopic theory of topologically entangled fluids of rigid macromolecules

NASA Astrophysics Data System (ADS)

Sussman, Daniel M.; Schweizer, Kenneth S.

2011-06-01

We present a first-principles theory for the slow dynamics of a fluid of entangling rigid crosses of zero excluded volume based on a generalization of the dynamic mean-field approach of Szamel for infinitely thin nonrotating rods. The latter theory exactly includes topological constraints at the two-body collision level and self-consistently renormalizes an effective diffusion tensor to account for many-body effects. Remarkably, it predicts scaling laws consistent with the phenomenological reptation-tube predictions of Doi and Edwards for the long-time diffusion and the localization length in the heavily entangled limit. We generalize this approach to a different macromolecular architecture, infinitely thin three-dimensional crosses, and also extend the range of densities over which a dynamic localization length can be calculated for rods. Ideal gases of nonrotating crosses have recently received attention in computer simulations and are relevant as a simple model of both a strong-glass former and entangling star-branched polymers. Comparisons of our theory with these simulations reveal reasonable agreement for the magnitude and reduced density dependence of the localization length and also the self-diffusion constant if the consequences of local density fluctuations are taken into account.

Entropy generation and momentum transfer in the superconductor-normal and normal-superconductor phase transformations and the consistency of the conventional theory of superconductivity

NASA Astrophysics Data System (ADS)

Hirsch, J. E.

2018-05-01

Since the discovery of the Meissner effect, the superconductor to normal (S-N) phase transition in the presence of a magnetic field is understood to be a first-order phase transformation that is reversible under ideal conditions and obeys the laws of thermodynamics. The reverse (N-S) transition is the Meissner effect. This implies in particular that the kinetic energy of the supercurrent is not dissipated as Joule heat in the process where the superconductor becomes normal and the supercurrent stops. In this paper, we analyze the entropy generation and the momentum transfer between the supercurrent and the body in the S-N transition and the N-S transition as described by the conventional theory of superconductivity. We find that it is not possible to explain the transition in a way that is consistent with the laws of thermodynamics unless the momentum transfer between the supercurrent and the body occurs with zero entropy generation, for which the conventional theory of superconductivity provides no mechanism. Instead, we point out that the alternative theory of hole superconductivity does not encounter such difficulties.

Theory and experiments in model-based space system anomaly management

NASA Astrophysics Data System (ADS)

Kitts, Christopher Adam

This research program consists of an experimental study of model-based reasoning methods for detecting, diagnosing and resolving anomalies that occur when operating a comprehensive space system. Using a first principles approach, several extensions were made to the existing field of model-based fault detection and diagnosis in order to develop a general theory of model-based anomaly management. Based on this theory, a suite of algorithms were developed and computationally implemented in order to detect, diagnose and identify resolutions for anomalous conditions occurring within an engineering system. The theory and software suite were experimentally verified and validated in the context of a simple but comprehensive, student-developed, end-to-end space system, which was developed specifically to support such demonstrations. This space system consisted of the Sapphire microsatellite which was launched in 2001, several geographically distributed and Internet-enabled communication ground stations, and a centralized mission control complex located in the Space Technology Center in the NASA Ames Research Park. Results of both ground-based and on-board experiments demonstrate the speed, accuracy, and value of the algorithms compared to human operators, and they highlight future improvements required to mature this technology.

a Simpler Solution of the Non-Uniqueness Problem of the Covariant Dirac Theory

NASA Astrophysics Data System (ADS)

Arminjon, Mayeul

2013-05-01

Although the standard generally covariant Dirac equation is unique in a topologically simple spacetime, it has been shown that it leads to non-uniqueness problems for the Hamiltonian and energy operators, including the non-uniqueness of the energy spectrum. These problems should be solved by restricting the choice of the Dirac gamma field in a consistent way. Recently, we proposed to impose the value of the rotation rate of the tetrad field. This is not necessarily easy to implement and works only in a given reference frame. Here, we propose that the gamma field should change only by constant gauge transformations. To get that situation, we are naturally led to assume that the metric can be put in a space-isotropic diagonal form. When this is the case, it distinguishes a preferred reference frame. We show that by defining the gamma field from the "diagonal tetrad" in a chart in which the metric has that form, the uniqueness problems are solved at once for all reference frames. We discuss the physical relevance of the metric considered and our restriction to first-quantized theory.

On the `simple' form of the gravitational action and the self-interacting graviton

NASA Astrophysics Data System (ADS)

Tomboulis, E. T.

2017-09-01

The so-called ΓΓ-form of the gravitational Lagrangian, long known to provide its most compact expression as well as the most efficient generation of the graviton vertices, is taken as the starting point for discussing General Relativity as a theory of the self-interacting graviton. A straightforward but general method of converting to a covariant formulation by the introduction of a reference metric is given. It is used to recast the Einstein field equation as the equation of motion of a spin-2 particle interacting with the canonical energy-momentum tensor symmetrized by the standard Belinfante method applicable to any field carrying nonzero spin. This represents the graviton field equation in a form complying with the precepts of standard field theory. It is then shown how representations based on other, at face value completely unrelated definitions of energy-momentum (pseudo)tensors are all related by the addition of appropriate superpotential terms. Specifically, the superpotentials are explicitly constructed which connect to: i) the common definition consisting simply of the nonlinear part of the Einstein tensor; ii) the Landau-Lifshitz definition.

Metastable Prepores in Tension-Free Lipid Bilayers

NASA Astrophysics Data System (ADS)

Ting, Christina L.; Awasthi, Neha; Müller, Marcus; Hub, Jochen S.

2018-03-01

The formation and closure of aqueous pores in lipid bilayers is a key step in various biophysical processes. Large pores are well described by classical nucleation theory, but the free-energy landscape of small, biologically relevant pores has remained largely unexplored. The existence of small and metastable "prepores" was hypothesized decades ago from electroporation experiments, but resolving metastable prepores from theoretical models remained challenging. Using two complementary methods—atomistic simulations and self-consistent field theory of a minimal lipid model—we determine the parameters for which metastable prepores occur in lipid membranes. Both methods consistently suggest that pore metastability depends on the relative volume ratio between the lipid head group and lipid tails: lipids with a larger head-group volume fraction (or shorter saturated tails) form metastable prepores, whereas lipids with a smaller head-group volume fraction (or longer unsaturated tails) form unstable prepores.

Applicability of Kerker preconditioning scheme to the self-consistent density functional theory calculations of inhomogeneous systems

NASA Astrophysics Data System (ADS)

Zhou, Yuzhi; Wang, Han; Liu, Yu; Gao, Xingyu; Song, Haifeng

2018-03-01

The Kerker preconditioner, based on the dielectric function of homogeneous electron gas, is designed to accelerate the self-consistent field (SCF) iteration in the density functional theory calculations. However, a question still remains regarding its applicability to the inhomogeneous systems. We develop a modified Kerker preconditioning scheme which captures the long-range screening behavior of inhomogeneous systems and thus improves the SCF convergence. The effectiveness and efficiency is shown by the tests on long-z slabs of metals, insulators, and metal-insulator contacts. For situations without a priori knowledge of the system, we design the a posteriori indicator to monitor if the preconditioner has suppressed charge sloshing during the iterations. Based on the a posteriori indicator, we demonstrate two schemes of the self-adaptive configuration for the SCF iteration.

Variational and perturbative formulations of quantum mechanical/molecular mechanical free energy with mean-field embedding and its analytical gradients.

PubMed

Yamamoto, Takeshi

2008-12-28

Conventional quantum chemical solvation theories are based on the mean-field embedding approximation. That is, the electronic wavefunction is calculated in the presence of the mean field of the environment. In this paper a direct quantum mechanical/molecular mechanical (QM/MM) analog of such a mean-field theory is formulated based on variational and perturbative frameworks. In the variational framework, an appropriate QM/MM free energy functional is defined and is minimized in terms of the trial wavefunction that best approximates the true QM wavefunction in a statistically averaged sense. Analytical free energy gradient is obtained, which takes the form of the gradient of effective QM energy calculated in the averaged MM potential. In the perturbative framework, the above variational procedure is shown to be equivalent to the first-order expansion of the QM energy (in the exact free energy expression) about the self-consistent reference field. This helps understand the relation between the variational procedure and the exact QM/MM free energy as well as existing QM/MM theories. Based on this, several ways are discussed for evaluating non-mean-field effects (i.e., statistical fluctuations of the QM wavefunction) that are neglected in the mean-field calculation. As an illustration, the method is applied to an S(N)2 Menshutkin reaction in water, NH(3)+CH(3)Cl-->NH(3)CH(3) (+)+Cl(-), for which free energy profiles are obtained at the Hartree-Fock, MP2, B3LYP, and BHHLYP levels by integrating the free energy gradient. Non-mean-field effects are evaluated to be <0.5 kcal/mol using a Gaussian fluctuation model for the environment, which suggests that those effects are rather small for the present reaction in water.

A formal derivation of the local energy transfer (LET) theory of homogeneous turbulence

NASA Astrophysics Data System (ADS)

McComb, W. D.; Yoffe, S. R.

2017-09-01

A statistical closure of the Navier-Stokes hierarchy which leads to equations for the two-point, two-time covariance of the velocity field for stationary, homogeneous isotropic turbulence is presented. It is a generalisation of the self-consistent field method due to Edwards (1964) for the stationary, single-time velocity covariance. The probability distribution functional P≤ft[\\mathbf{u},t\\right] is obtained, in the form of a series, from the Liouville equation by means of a perturbation expansion about a Gaussian distribution, which is chosen to give the exact two-point, two-time covariance. The triple moment is calculated in terms of an ensemble-averaged infinitesimal velocity-field propagator, and shown to yield the Edwards result as a special case. The use of a Gaussian zero-order distribution has been found to justify the introduction of a fluctuation-response relation, which is in accord with modern dynamical theories. In a sense this work completes the analogy drawn by Edwards between turbulence and Brownian motion. Originally Edwards had shown that the noise input was determined by the correlation of the velocity field with the externally applied stirring forces but was unable to determine the system response. Now we find that the system response is determined by the correlation of the velocity field with internal quasi-entropic forces. This analysis is valid to all orders of perturbation theory, and allows the recovery of the local energy transfer (LET) theory, which had previously been derived by more heuristical methods. The LET theory is known to be in good agreement with experimental results. It is also unique among two-point statistical closures in displaying an acceptable (i.e. non-Markovian) relationship between the transfer spectrum and the system response, in accordance with experimental results. As a result of the latter property, it is compatible with the Kolmogorov (K41) spectral phenomenology. In memory of Professor Sir Sam Edwards F.R.S. 1928-2015.

Effective field theory of dark matter from membrane inflationary paradigm

NASA Astrophysics Data System (ADS)

Choudhury, Sayantan; Dasgupta, Arnab

2016-09-01

In this article, we have studied the cosmological and particle physics constraints on dark matter relic abundance from effective field theory of inflation from tensor-to-scalar ratio (r), in case of Randall-Sundrum single membrane (RSII) paradigm. Using semi-analytical approach we establish a direct connection between the dark matter relic abundance (ΩDMh2) and primordial gravity waves (r), which establishes a precise connection between inflation and generation of dark matter within the framework of effective field theory in RSII membrane. Further assuming the UV completeness of the effective field theory perfectly holds good in the prescribed framework, we have explicitly shown that the membrane tension, σ ≤ O(10-9) Mp4 , bulk mass scale M5 ≤ O(0.04 - 0.05) Mp, and cosmological constant Λ˜5 ≥ - O(10-15) Mp5 , in RSII membrane plays the most significant role to establish the connection between dark matter and inflation, using which we have studied the features of various mediator mass scale suppressed effective field theory "relevant operators" induced from the localized s, t and u channel interactions in RSII membrane. Taking a completely model independent approach, we have studied an exhaustive list of tree-level Feynman diagrams for dark matter annihilation within the prescribed setup and to check the consistency of the obtained results, further we apply the constraints as obtained from recently observed Planck 2015 data and Planck + BICEP2 + Keck Array joint data sets. Using all of these derived results we have shown that to satisfy the bound on, ΩDMh2 = 0.1199 ± 0.0027, as from Planck 2015 data, it is possible to put further stringent constraint on r within, 0.01 ≤ r ≤ 0.12, for thermally averaged annihilation cross-section of dark matter, 〈 σv 〉 ≈ O(10-28 - 10-27) cm3 / s, which are very useful to constrain various membrane inflationary models.

Critical electric field for maximum tunability in nonlinear dielectrics

NASA Astrophysics Data System (ADS)

Akdogan, E. K.; Safari, A.

2006-09-01

The authors develop a self-consistent thermodynamic theory to compute the critical electric field at which maximum tunability is attained in a nonlinear dielectric. They then demonstrate that the stored electrostatic free energy functional has to be expanded at least up to the sixth order in electric field so as to define the critical field, and show that it depends solely on the fourth and sixth order permittivities. They discuss the deficiency of the engineering tunability metric in describing nonlinear dielectric phenomena, introduce a critical field renormalized tunability parameter, and substantiate the proposed formalism by computing the critical electric field for prototypical 0.9Pb(Mg1/3,Nb2/3)-0.1PbTiO3 and Ba(Ti0.85,Sn0.15)O3 paraelectrics.

Trends in gender segregation in the choice of science and engineering majors.

PubMed

Mann, Allison; Diprete, Thomas A

2013-11-01

Numerous theories have been put forward for the high and continuing levels of gender segregation in science, technology, engineering, and mathematics (STEM) fields, but research has not systematically examined the extent to which these theories for the gender gap are consistent with actual trends. Using both administrative data and four separate longitudinal studies sponsored by the U.S. Department of Education's National Center for Education Statistics (NCES), we evaluate several prominent explanations for the persisting gender gap in STEM fields related to mathematics performance and background and general life goals, and find that none of them are empirically satisfactory. Instead, we suggest that the structure of majors and their linkages to professional training and careers may combine with gender differences in educational goals to influence the persisting gender gap in STEM fields. An analysis of gendered career aspirations, course-taking patterns, and pathways to medical and law school supports this explanation. Copyright © 2013 Elsevier Inc. All rights reserved.

The rise of moral cognition.

PubMed

Greene, Joshua D

2015-02-01

The field of moral cognition has grown rapidly in recent years thanks in no small part to Cognition. Consistent with its interdisciplinary tradition, Cognition encouraged the growth of this field by supporting empirical research conducted by philosophers as well as research native to neighboring fields such as social psychology, evolutionary game theory, and behavioral economics. This research has been exceptionally diverse both in its content and methodology. I argue that this is because morality is unified at the functional level, but not at the cognitive level, much as vehicles are unified by shared function rather than shared mechanics. Research in moral cognition, then, has progressed by explaining the phenomena that we identify as "moral" (for high-level functional reasons) in terms of diverse cognitive components that are not specific to morality. In light of this, research on moral cognition may continue to flourish, not as the identification and characterization of distinctive moral processes, but as a testing ground for theories of high-level, integrative cognitive function. Copyright © 2014 Elsevier B.V. All rights reserved.

Quantum Yang-Mills Dark Energy

NASA Astrophysics Data System (ADS)

Pasechnik, Roman

2016-02-01

In this short review, I discuss basic qualitative characteristics of quantum non-Abelian gauge dynamics in the non-stationary background of the expanding Universe in the framework of the standard Einstein--Yang--Mills formulation. A brief outlook of existing studies of cosmological Yang--Mills fields and their properties will be given. Quantum effects have a profound impact on the gauge field-driven cosmological evolution. In particular, a dynamical formation of the spatially-homogeneous and isotropic gauge field condensate may be responsible for both early and late-time acceleration, as well as for dynamical compensation of non-perturbative quantum vacua contributions to the ground state of the Universe. The main properties of such a condensate in the effective QCD theory at the flat Friedmann--Lema\\'itre--Robertson--Walker (FLRW) background will be discussed within and beyond perturbation theory. Finally, a phenomenologically consistent dark energy can be induced dynamically as a remnant of the QCD vacua compensation arising from leading-order graviton-mediated corrections to the QCD ground state.

Colored-noise-induced discontinuous transitions in symbiotic ecosystems

NASA Astrophysics Data System (ADS)

Mankin, Romi; Sauga, Ako; Ainsaar, Ain; Haljas, Astrid; Paunel, Kristiina

2004-06-01

A symbiotic ecosystem is studied by means of the Lotka-Volterra stochastic model, using the generalized Verhulst self-regulation. The effect of fluctuating environment on the carrying capacity of a population is taken into account as dichotomous noise. The study is a follow-up of our investigation of symbiotic ecosystems subjected to three-level (trichotomous) noise [

Scalar-tensor theories and modified gravity in the wake of GW170817

NASA Astrophysics Data System (ADS)

Langlois, David; Saito, Ryo; Yamauchi, Daisuke; Noui, Karim

2018-03-01

Theories of dark energy and modified gravity can be strongly constrained by astrophysical or cosmological observations, as illustrated by the recent observation of the gravitational wave event GW170817 and of its electromagnetic counterpart GRB 170817A, which showed that the speed of gravitational waves, cg , is the same as the speed of light, within deviations of order 10-15 . This observation implies severe restrictions on scalar-tensor theories, in particular theories whose action depends on second derivatives of a scalar field. Working in the very general framework of degenerate higher-order scalar-tensor (DHOST) theories, which encompass Horndeski and beyond Horndeski theories, we present the DHOST theories that satisfy cg=c . We then examine, for these theories, the screening mechanism that suppresses scalar interactions on small scales, namely the Vainshtein mechanism, and compute the corresponding gravitational laws for a nonrelativistic spherical body. We show that it can lead to a deviation from standard gravity inside matter, parametrized by three coefficients which satisfy a consistency relation and can be constrained by present and future astrophysical observations.

Renormalization group evolution of the universal theories EFT

DOE PAGES

Wells, James D.; Zhang, Zhengkang

2016-06-21

The conventional oblique parameters analyses of precision electroweak data can be consistently cast in the modern framework of the Standard Model effective field theory (SMEFT) when restrictions are imposed on the SMEFT parameter space so that it describes universal theories. However, the usefulness of such analyses is challenged by the fact that universal theories at the scale of new physics, where they are matched onto the SMEFT, can flow to nonuniversal theories with renormalization group (RG) evolution down to the electroweak scale, where precision observables are measured. The departure from universal theories at the electroweak scale is not arbitrary, butmore » dictated by the universal parameters at the matching scale. But to define oblique parameters, and more generally universal parameters at the electroweak scale that directly map onto observables, additional prescriptions are needed for the treatment of RG-induced nonuniversal effects. Finally, we perform a RG analysis of the SMEFT description of universal theories, and discuss the impact of RG on simplified, universal-theories-motivated approaches to fitting precision electroweak and Higgs data.« less

Effective theories of universal theories

DOE PAGES

Wells, James D.; Zhang, Zhengkang

2016-01-20

It is well-known but sometimes overlooked that constraints on the oblique parameters (most notably S and T parameters) are generally speaking only applicable to a special class of new physics scenarios known as universal theories. The oblique parameters should not be associated with Wilson coefficients in a particular operator basis in the effective field theory (EFT) framework, unless restrictions have been imposed on the EFT so that it describes universal theories. Here, we work out these restrictions, and present a detailed EFT analysis of universal theories. We find that at the dimension-6 level, universal theories are completely characterized by 16more » parameters. They are conveniently chosen to be: 5 oblique parameters that agree with the commonly-adopted ones, 4 anomalous triple-gauge couplings, 3 rescaling factors for the h 3, hff, hV V vertices, 3 parameters for hV V vertices absent in the Standard Model, and 1 four-fermion coupling of order yf 2. Furthermore, all these parameters are defined in an unambiguous and basis-independent way, allowing for consistent constraints on the universal theories parameter space from precision electroweak and Higgs data.« less

Renormalization group evolution of the universal theories EFT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wells, James D.; Zhang, Zhengkang

The conventional oblique parameters analyses of precision electroweak data can be consistently cast in the modern framework of the Standard Model effective field theory (SMEFT) when restrictions are imposed on the SMEFT parameter space so that it describes universal theories. However, the usefulness of such analyses is challenged by the fact that universal theories at the scale of new physics, where they are matched onto the SMEFT, can flow to nonuniversal theories with renormalization group (RG) evolution down to the electroweak scale, where precision observables are measured. The departure from universal theories at the electroweak scale is not arbitrary, butmore » dictated by the universal parameters at the matching scale. But to define oblique parameters, and more generally universal parameters at the electroweak scale that directly map onto observables, additional prescriptions are needed for the treatment of RG-induced nonuniversal effects. Finally, we perform a RG analysis of the SMEFT description of universal theories, and discuss the impact of RG on simplified, universal-theories-motivated approaches to fitting precision electroweak and Higgs data.« less

Effective theories of universal theories

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wells, James D.; Zhang, Zhengkang

It is well-known but sometimes overlooked that constraints on the oblique parameters (most notably S and T parameters) are generally speaking only applicable to a special class of new physics scenarios known as universal theories. The oblique parameters should not be associated with Wilson coefficients in a particular operator basis in the effective field theory (EFT) framework, unless restrictions have been imposed on the EFT so that it describes universal theories. Here, we work out these restrictions, and present a detailed EFT analysis of universal theories. We find that at the dimension-6 level, universal theories are completely characterized by 16more » parameters. They are conveniently chosen to be: 5 oblique parameters that agree with the commonly-adopted ones, 4 anomalous triple-gauge couplings, 3 rescaling factors for the h 3, hff, hV V vertices, 3 parameters for hV V vertices absent in the Standard Model, and 1 four-fermion coupling of order yf 2. Furthermore, all these parameters are defined in an unambiguous and basis-independent way, allowing for consistent constraints on the universal theories parameter space from precision electroweak and Higgs data.« less

The development, evolution, and status of Holland's theory of vocational personalities: Reflections and future directions for counseling psychology.

PubMed

Nauta, Margaret M

2010-01-01

This article celebrates the 50th anniversary of the introduction of John L. Holland's (1959) theory of vocational personalities and work environments by describing the theory's development and evolution, its instrumentation, and its current status. Hallmarks of Holland's theory are its empirical testability and its user-friendliness. By constructing measures for operationalizing the theory's constructs, Holland and his colleagues helped ensure that the theory could be implemented in practice on a widespread basis. Empirical data offer considerable support for the existence of Holland's RIASEC types and their ordering among persons and environments. Although Holland's congruence hypotheses have received empirical support, congruence appears to have modest predictive power. Mixed support exists for Holland's hypotheses involving the secondary constructs of differentiation, consistency, and vocational identity. Evidence of the continued impact of Holland's theory on the field of counseling psychology, particularly in the area of interest assessment, can be seen from its frequent implementation in practice and its use by scholars. Ideas for future research and practice using Holland's theory are suggested.

Three-Point Functions in c≤1 Liouville Theory and Conformal Loop Ensembles.

PubMed

Ikhlef, Yacine; Jacobsen, Jesper Lykke; Saleur, Hubert

2016-04-01

The possibility of extending the Liouville conformal field theory from values of the central charge c≥25 to c≤1 has been debated for many years in condensed matter physics as well as in string theory. It was only recently proven that such an extension-involving a real spectrum of critical exponents as well as an analytic continuation of the Dorn-Otto-Zamolodchikov-Zamolodchikov formula for three-point couplings-does give rise to a consistent theory. We show in this Letter that this theory can be interpreted in terms of microscopic loop models. We introduce in particular a family of geometrical operators, and, using an efficient algorithm to compute three-point functions from the lattice, we show that their operator algebra corresponds exactly to that of vertex operators V_{α[over ^]} in c≤1 Liouville theory. We interpret geometrically the limit α[over ^]→0 of V_{α[over ^]} and explain why it is not the identity operator (despite having conformal weight Δ=0).

Horndeski: beyond, or not beyond?

NASA Astrophysics Data System (ADS)

Crisostomi, Marco; Hull, Matthew; Koyama, Kazuya; Tasinato, Gianmassimo

2016-03-01

Determining the most general, consistent scalar tensor theory of gravity is important for building models of inflation and dark energy. In this work we investigate the number of degrees of freedom present in the theory of beyond Horndeski. We discuss how to construct the theory from the extrinsic curvature of the constant scalar field hypersurface, and find a simple expression for the action which guarantees the existence of the primary constraint necessary to avoid the Ostrogradsky instability. Our analysis is completely gauge-invariant. However we confirm that, mixing together beyond Horndeski with a different order of Horndeski, obstructs the construction of this primary constraint. Instead, when the mixing is between actions of the same order, the theory can be mapped to Horndeski through a generalised disformal transformation. This mapping however is impossible with beyond Horndeski alone, since we find that the theory is invariant under such a transformation. The picture that emerges is that beyond Horndeski is a healthy but isolated theory: combined with Horndeski, it either becomes Horndeski, or likely propagates a ghost.

E(lementary)-strings in six-dimensional heterotic F-theory

NASA Astrophysics Data System (ADS)

Choi, Kang-Sin; Rey, Soo-Jong

2017-09-01

Using E-strings, we can analyze not only six-dimensional superconformal field theories but also probe vacua of non-perturabative heterotic string. We study strings made of D3-branes wrapped on various two-cycles in the global F-theory setup. We claim that E-strings are elementary in the sense that various combinations of E-strings can form M-strings as well as heterotic strings and new kind of strings, called G-strings. Using them, we show that emissions and combinations of heterotic small instantons generate most of known six-dimensional superconformal theories, their affinizations and little string theories. Taking account of global structure of compact internal geometry, we also show that special combinations of E-strings play an important role in constructing six-dimensional theories of D- and E-types. We check global consistency conditions from anomaly cancellation conditions, both from five-branes and strings, and show that they are given in terms of elementary E-string combinations.

Information theory lateral density distribution for Earth inferred from global gravity field

NASA Technical Reports Server (NTRS)

Rubincam, D. P.

1981-01-01

Information Theory Inference, better known as the Maximum Entropy Method, was used to infer the lateral density distribution inside the Earth. The approach assumed that the Earth consists of indistinguishable Maxwell-Boltzmann particles populating infinitesimal volume elements, and followed the standard methods of statistical mechanics (maximizing the entropy function). The GEM 10B spherical harmonic gravity field coefficients, complete to degree and order 36, were used as constraints on the lateral density distribution. The spherically symmetric part of the density distribution was assumed to be known. The lateral density variation was assumed to be small compared to the spherically symmetric part. The resulting information theory density distribution for the cases of no crust removed, 30 km of compensated crust removed, and 30 km of uncompensated crust removed all gave broad density anomalies extending deep into the mantle, but with the density contrasts being the greatest towards the surface (typically + or 0.004 g cm 3 in the first two cases and + or - 0.04 g cm 3 in the third). None of the density distributions resemble classical organized convection cells. The information theory approach may have use in choosing Standard Earth Models, but, the inclusion of seismic data into the approach appears difficult.

An Alternative to the Gauge Theoretic Setting

NASA Astrophysics Data System (ADS)

Schroer, Bert

2011-10-01

The standard formulation of quantum gauge theories results from the Lagrangian (functional integral) quantization of classical gauge theories. A more intrinsic quantum theoretical access in the spirit of Wigner's representation theory shows that there is a fundamental clash between the pointlike localization of zero mass (vector, tensor) potentials and the Hilbert space (positivity, unitarity) structure of QT. The quantization approach has no other way than to stay with pointlike localization and sacrifice the Hilbert space whereas the approach built on the intrinsic quantum concept of modular localization keeps the Hilbert space and trades the conflict creating pointlike generation with the tightest consistent localization: semiinfinite spacelike string localization. Whereas these potentials in the presence of interactions stay quite close to associated pointlike field strengths, the interacting matter fields to which they are coupled bear the brunt of the nonlocal aspect in that they are string-generated in a way which cannot be undone by any differentiation. The new stringlike approach to gauge theory also revives the idea of a Schwinger-Higgs screening mechanism as a deeper and less metaphoric description of the Higgs spontaneous symmetry breaking and its accompanying tale about "God's particle" and its mass generation for all the other particles.

Atypical k-essence cosmologies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chimento, Luis P.; Lazkoz, Ruth

We analyze the implications of having a divergent speed of sound in k-essence cosmological models. We first study a known theory of that kind, for which the Lagrangian density depends linearly on the time derivative of the k-field. We show that when k-essence is the only source consistency requires that the potential of the k-field be of the inverse square form. Then, we review the known result that the corresponding power-law solutions can be mapped to power-law solutions of theories with no divergence in the speed of sound. After that, we argue that the requirement of a divergent sound speedmore » at some point fixes uniquely the form of the Lagrangian to be exactly the one considered earlier and prove the asymptotic stability of the most interesting solutions belonging to the divergent theory. Then, we discuss the implications of having not just k-essence but also matter. This is interesting because introducing another component breaks the rigidity of the theory, and the form of the potential ceases to be unique as happened in the pure k-essence case. Finally, we show the finiteness of the effective sound speed under an appropiate definition.« less

DNA-DNA interaction beyond the ground state

NASA Astrophysics Data System (ADS)

Lee, D. J.; Wynveen, A.; Kornyshev, A. A.

2004-11-01

The electrostatic interaction potential between DNA duplexes in solution is a basis for the statistical mechanics of columnar DNA assemblies. It may also play an important role in recombination of homologous genes. We develop a theory of this interaction that includes thermal torsional fluctuations of DNA using field-theoretical methods and Monte Carlo simulations. The theory extends and rationalizes the earlier suggested variational approach which was developed in the context of a ground state theory of interaction of nonhomologous duplexes. It shows that the heuristic variational theory is equivalent to the Hartree self-consistent field approximation. By comparison of the Hartree approximation with an exact solution based on the QM analogy of path integrals, as well as Monte Carlo simulations, we show that this easily analytically-tractable approximation works very well in most cases. Thermal fluctuations do not remove the ability of DNA molecules to attract each other at favorable azimuthal conformations, neither do they wash out the possibility of electrostatic “snap-shot” recognition of homologous sequences, considered earlier on the basis of ground state calculations. At short distances DNA molecules undergo a “torsional alignment transition,” which is first order for nonhomologous DNA and weaker order for homologous sequences.

Neoclassical Simulation of Tokamak Plasmas using Continuum Gyrokinetc Code TEMPEST

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, X Q

We present gyrokinetic neoclassical simulations of tokamak plasmas with self-consistent electric field for the first time using a fully nonlinear (full-f) continuum code TEMPEST in a circular geometry. A set of gyrokinetic equations are discretized on a five dimensional computational grid in phase space. The present implementation is a Method of Lines approach where the phase-space derivatives are discretized with finite differences and implicit backwards differencing formulas are used to advance the system in time. The fully nonlinear Boltzmann model is used for electrons. The neoclassical electric field is obtained by solving gyrokinetic Poisson equation with self-consistent poloidal variation. Withmore » our 4D ({psi}, {theta}, {epsilon}, {mu}) version of the TEMPEST code we compute radial particle and heat flux, the Geodesic-Acoustic Mode (GAM), and the development of neoclassical electric field, which we compare with neoclassical theory with a Lorentz collision model. The present work provides a numerical scheme and a new capability for self-consistently studying important aspects of neoclassical transport and rotations in toroidal magnetic fusion devices.« less

A New Self-Consistent Field Model of Polymer/Nanoparticle Mixture

NASA Astrophysics Data System (ADS)

Chen, Kang; Li, Hui-Shu; Zhang, Bo-Kai; Li, Jian; Tian, Wen-De

2016-02-01

Field-theoretical method is efficient in predicting assembling structures of polymeric systems. However, it’s challenging to generalize this method to study the polymer/nanoparticle mixture due to its multi-scale nature. Here, we develop a new field-based model which unifies the nanoparticle description with the polymer field within the self-consistent field theory. Instead of being “ensemble-averaged” continuous distribution, the particle density in the final morphology can represent individual particles located at preferred positions. The discreteness of particle density allows our model to properly address the polymer-particle interface and the excluded-volume interaction. We use this model to study the simplest system of nanoparticles immersed in the dense homopolymer solution. The flexibility of tuning the interfacial details allows our model to capture the rich phenomena such as bridging aggregation and depletion attraction. Insights are obtained on the enthalpic and/or entropic origin of the structural variation due to the competition between depletion and interfacial interaction. This approach is readily extendable to the study of more complex polymer-based nanocomposites or biology-related systems, such as dendrimer/drug encapsulation and membrane/particle assembly.

Two-nucleon S10 amplitude zero in chiral effective field theory

NASA Astrophysics Data System (ADS)

Sánchez, M. Sánchez; Yang, C.-J.; Long, Bingwei; van Kolck, U.

2018-02-01

We present a new rearrangement of short-range interactions in the S10 nucleon-nucleon channel within chiral effective field theory. This is intended to address the slow convergence of Weinberg's scheme, which we attribute to its failure to reproduce the amplitude zero (scattering momentum ≃340 MeV) at leading order. After the power counting scheme is modified to accommodate the zero at leading order, it includes subleading corrections perturbatively in a way that is consistent with renormalization-group invariance. Systematic improvement is shown at next-to-leading order, and we obtain results that fit empirical phase shifts remarkably well all the way up to the pion-production threshold. An approach in which pions have been integrated out is included, which allows us to derive analytic results that also fit phenomenology surprisingly well.

Quantum particles in general spacetimes: A tangent bundle formalism

NASA Astrophysics Data System (ADS)

Wohlfarth, Mattias N. R.

2018-06-01

Using tangent bundle geometry we construct an equivalent reformulation of classical field theory on flat spacetimes which simultaneously encodes the perspectives of multiple observers. Its generalization to curved spacetimes realizes a new type of nonminimal coupling of the fields and is shown to admit a canonical quantization procedure. For the resulting quantum theory we demonstrate the emergence of a particle interpretation, fully consistent with general relativistic geometry. The path dependency of parallel transport forces each observer to carry their own quantum state; we find that the communication of the corresponding quantum information may generate extra particles on curved spacetimes. A speculative link between quantum information and spacetime curvature is discussed which might lead to novel explanations for quantum decoherence and vanishing interference in double-slit or interaction-free measurement scenarios, in the mere presence of additional observers.

Extended Riemannian geometry II: local heterotic double field theory

NASA Astrophysics Data System (ADS)

Deser, Andreas; Heller, Marc Andre; Sämann, Christian

2018-04-01

We continue our exploration of local Double Field Theory (DFT) in terms of symplectic graded manifolds carrying compatible derivations and study the case of heterotic DFT. We start by developing in detail the differential graded manifold that captures heterotic Generalized Geometry which leads to new observations on the generalized metric and its twists. We then give a symplectic pre-N Q-manifold that captures the symmetries and the geometry of local heterotic DFT. We derive a weakened form of the section condition, which arises algebraically from consistency of the symmetry Lie 2-algebra and its action on extended tensors. We also give appropriate notions of twists — which are required for global formulations — and of the torsion and Riemann tensors. Finally, we show how the observed α'-corrections are interpreted naturally in our framework.

Strain-induced insulator-to-metal transition in LaTiO3 within DFT + DMFT

NASA Astrophysics Data System (ADS)

Dymkowski, Krzysztof; Ederer, Claude

2014-04-01

We present results of combined density functional theory plus dynamical mean-field theory (DFT + DMFT) calculations, which show that the Mott insulator LaTiO3 undergoes an insulator-to-metal transition under compressive epitaxial strain of about -2%. This transition is driven by strain-induced changes in the crystal-field splitting between the Ti t2g orbitals, which in turn are intimately related to the collective tilts and rotations of the oxygen octahedra in the orthorhombically distorted Pbnm perovskite structure. An accurate treatment of the underlying crystal structure is therefore crucial for a correct description of the observed metal-insulator transition. Our theoretical results are consistent with recent experimental observations and demonstrate that metallic behavior in heterostructures of otherwise insulating materials can emerge also from mechanisms other than genuine interface effects.

New Density Functional Approach for Solid-Liquid-Vapor Transitions in Pure Materials

NASA Astrophysics Data System (ADS)

Kocher, Gabriel; Provatas, Nikolas

2015-04-01

A new phase field crystal (PFC) type theory is presented, which accounts for the full spectrum of solid-liquid-vapor phase transitions within the framework of a single density order parameter. Its equilibrium properties show the most quantitative features to date in PFC modeling of pure substances, and full consistency with thermodynamics in pressure-volume-temperature space is demonstrated. A method to control either the volume or the pressure of the system is also introduced. Nonequilibrium simulations show that 2- and 3-phase growth of solid, vapor, and liquid can be achieved, while our formalism also allows for a full range of pressure-induced transformations. This model opens up a new window for the study of pressure driven interactions of condensed phases with vapor, an experimentally relevant paradigm previously missing from phase field crystal theories.

Plasma Disks and Rings with ``High'' Magnetic Energy Densities

NASA Astrophysics Data System (ADS)

Coppi, B.; Rousseau, F.

2006-04-01

The nonlinear theory of rotating axisymmetric thin structures in which the magnetic field energy density is comparable with the thermal plasma energy density is formulated. The only flow velocity included in the theory is the velocity of rotation around a central object whose gravity is dominant. The periodic sequence, in the radial direction, of pairs of opposite current channels that can form is shown to lead to relatively large plasma density and pressure modulations, while the relevant magnetic surfaces can acquire a ``crystal structure.'' A new class of equilibria consisting of a series of plasma rings is identified, in the regimes where the plasma pressure is comparable to the magnetic pressure associated with the fields produced by the internal currents. The possible relevance of this result to the formation of dusty plasma rings is pointed out.

Water confined in carbon nanotubes: Magnetic response and proton chemical shieldings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, P; Schwegler, E; Galli, G

2008-11-14

We study the proton nuclear magnetic resonance ({sup 1}H-NMR) of a model system consisting of liquid water in infinite carbon nanotubes (CNT). Chemical shieldings are evaluated from linear response theory, where the electronic structure is derived from density functional theory (DFT) with plane-wave basis sets and periodic boundary conditions. The shieldings are sampled from trajectories generated via first-principles molecular dynamics simulations at ambient conditions, for water confined in (14,0) and (19,0) CNTs with diameters d = 11 {angstrom} and 14.9 {angstrom}, respectively. We find that confinement within the CNT leads to a large ({approx} -23 ppm) upfield shift relative tomore » bulk liquid water. This shift is a consequence of strongly anisotropic magnetic fields induced in the CNT by an applied magnetic field.« less

Object-oriented recognition of high-resolution remote sensing image

NASA Astrophysics Data System (ADS)

Wang, Yongyan; Li, Haitao; Chen, Hong; Xu, Yuannan

2016-01-01

With the development of remote sensing imaging technology and the improvement of multi-source image's resolution in satellite visible light, multi-spectral and hyper spectral , the high resolution remote sensing image has been widely used in various fields, for example military field, surveying and mapping, geophysical prospecting, environment and so forth. In remote sensing image, the segmentation of ground targets, feature extraction and the technology of automatic recognition are the hotspot and difficulty in the research of modern information technology. This paper also presents an object-oriented remote sensing image scene classification method. The method is consist of vehicles typical objects classification generation, nonparametric density estimation theory, mean shift segmentation theory, multi-scale corner detection algorithm, local shape matching algorithm based on template. Remote sensing vehicles image classification software system is designed and implemented to meet the requirements .

Ghirardi-Rimini-Weber model with massive flashes

NASA Astrophysics Data System (ADS)

Tilloy, Antoine

2018-01-01

I introduce a modification of the Ghirardi-Rimini-Weber (GRW) model in which the flashes (or space-time collapse events) source a classical gravitational field. The resulting semiclassical theory of Newtonian gravity preserves the statistical interpretation of quantum states of matter in contrast with mean field approaches. It can be seen as a discrete version of recent proposals of consistent hybrid quantum classical theories. The model is in agreement with known experimental data and introduces new falsifiable predictions: (1) single particles do not self-interact, (2) the 1 /r gravitational potential of Newtonian gravity is cut off at short (≲10-7 m ) distances, and (3) gravity makes spatial superpositions decohere at a rate inversely proportional to that coming from the vanilla GRW model. Together, the last two predictions make the model experimentally falsifiable for all values of its parameters.

Teaching the basic concepts of the Special Relativity in the secondary school in the framework of the Theory of Conceptual Fields of Vergnaud

NASA Astrophysics Data System (ADS)

Rita Otero, Marıa; Arlego, Marcelo; Prodanoff, Fabiana

2016-05-01

In this work, we investigate the conceptualization of the basic aspects of Special Relativity (SR) at secondary school level. We have conducted our research along the lines of the Theory of Conceptual Fields (TCF) proposed by Vergnaud (Vergnaud G., Infancia y Aprendizaje, 36 (2013) 131). The investigation consisted in the design, implementation and evaluation of a didactic sequence specially elaborated to conceptualize the basic aspects of SR. The proposal is composed by eight situations, complemented with a set of exercises. It was carried out in two classrooms with students of the last year of secondary level (17years old, N = 43 . The conceptualization was analyzed in a classroom context, where the selected situations are essential to promote the emergence of the relevant concepts.

Molecular Interaction Control in Diblock Copolymer Blends and Multiblock Copolymers with Opposite Phase Behaviors

NASA Astrophysics Data System (ADS)

Cho, Junhan

2014-03-01

Here we show how to control molecular interactions via mixing AB and AC diblock copolymers, where one copolymer exhibits upper order-disorder transition and the other does lower disorder-order transition. Linear ABC triblock copolymers possessing both barotropic and baroplastic pairs are also taken into account. A recently developed random-phase approximation (RPA) theory and the self-consistent field theory (SCFT) for general compressible mixtures are used to analyze stability criteria and morphologies for the given systems. It is demonstrated that the copolymer systems can yield a variety of phase behaviors in their temperature and pressure dependence upon proper mixing conditions and compositions, which is caused by the delicate force fields generated in the systems. We acknowledge the financial support from National Research Foundation of Korea and Center for Photofunctional Energy Materials.

Radiation reaction for spinning bodies in effective field theory. I. Spin-orbit effects

NASA Astrophysics Data System (ADS)

Maia, Natália T.; Galley, Chad R.; Leibovich, Adam K.; Porto, Rafael A.

2017-10-01

We compute the leading post-Newtonian (PN) contributions at linear order in the spin to the radiation-reaction acceleration and spin evolution for binary systems, which enter at fourth PN order. The calculation is carried out, from first principles, using the effective field theory framework for spinning compact objects, in both the Newton-Wigner and covariant spin supplementary conditions. A nontrivial consistency check is performed on our results by showing that the energy loss induced by the resulting radiation-reaction force is equivalent to the total emitted power in the far zone, up to so-called "Schott terms." We also find that, at this order, the radiation reaction has no net effect on the evolution of the spins. The spin-spin contributions to radiation reaction are reported in a companion paper.

A dynamic gain equalizer based on holographic polymer dispersed liquid crystal gratings

NASA Astrophysics Data System (ADS)

Xin, Zhaohui; Cai, Jiguang; Shen, Guotu; Yang, Baocheng; Zheng, Jihong; Gu, Lingjuan; Zhuang, Songlin

2006-12-01

The dynamic gain equalizer consisting of gratings made of holographic polymer dispersed liquid crystal is explored and the structure and principle presented. The properties of the holographic polymer dispersed liquid crystal grating are analyzed in light of the rigorous coupled-wave theory. Experimental study is also conducted in which a beam of infrared laser was incident to the grating sample and an alternating current electric field applied. The electro-optical properties of the grating and the influence of the applied field were observed. The results of the experiment agree with that of the theory quite well. The design method of the dynamic gain equalizer with the help of numerical simulation is presented too. The study shows that holographic polymer dispersed liquid crystal gratings have great potential to play a role in fiber optics communication.

Inflation and dark energy from the Brans-Dicke theory

NASA Astrophysics Data System (ADS)

Artymowski, Michał; Lalak, Zygmunt; Lewicki, Marek

2015-06-01

We consider the Brans-Dicke theory motivated by the f(R) = R + α Rn - β R2-n model to obtain a stable minimum of the Einstein frame scalar potential of the Brans-Dicke field. As a result we have obtained an inflationary scalar potential with non-zero value of residual vacuum energy, which may be a source of dark energy. In addition we discuss the probability of quantum tunnelling from the minimum of the potential. Our results can be easily consistent with PLANCK or BICEP2 data for appropriate choices of the value of n and ω.

On the theory of dielectric spectroscopy of protein solutions

NASA Astrophysics Data System (ADS)

Matyushov, Dmitry V.

2012-08-01

We present a theory of the dielectric response of solutions containing large solutes, of the nanometer size, in a molecular solvent. It combines the molecular dipole moment of the solute with the polarization of a large subensemble of solvent molecules at the solute-solvent interface. The goal of the theory is two-fold: (i) to formulate the problem of the dielectric response avoiding the reliance on the cavity-field susceptibility of dielectric theories and (ii) to separate the non-additive polarization of the interface, jointly produced by the external field of the laboratory experiment and the solute, from specific solute-solvent interactions contributing to the dielectric signal. The theory is applied to experimentally reported frequency-dependent dielectric spectra of lysozyme in solution. The analysis of the data in the broad range of frequencies up to 700 GHz shows that the cavity-field susceptibility, critical for the theory formulation, is consistent with the prediction of Maxwell’s electrostatics in the frequency range of 10-200 GHz, but deviates from it outside this range. In particular, it becomes much smaller than the Maxwell result, and shifts to negative values, at small frequencies. The latter observation implies a dia-electric response, or negative dielectrophoresis, of hydrated lysozyme. It also implies that the effective protein dipole recorded by dielectric spectroscopy is much smaller than the value calculated from the protein’s charge distribution. We suggest an empirical equation that describes both the increment of the static dielectric constant and the decrement of the Debye water peak with increasing protein concentration. It gives fair agreement with broad-band dispersion and loss spectra of protein solutions, but misses the δ-dispersion region.