Conformational landscape of an amyloid intra-cellular domain and Landau-Ginzburg-Wilson paradigm in protein dynamics

Energy Technology Data Exchange (ETDEWEB)

Dai, Jin; He, Jianfeng, E-mail: Antti.Niemi@physics.uu.se, E-mail: hjf@bit.edu.cn [School of Physics, Beijing Institute of Technology, Beijing 100081 (China); Niemi, Antti J., E-mail: Antti.Niemi@physics.uu.se, E-mail: hjf@bit.edu.cn [School of Physics, Beijing Institute of Technology, Beijing 100081 (China); Department of Physics and Astronomy, Uppsala University, P.O. Box 803, S-75108 Uppsala (Sweden); Laboratoire de Mathematiques et Physique Theorique CNRS UMR 6083, Fédération Denis Poisson, Université de Tours, Parc de Grandmont, F37200 Tours (France)

2016-07-28

The Landau-Ginzburg-Wilson paradigm is proposed as a framework, to investigate the conformational landscape of intrinsically unstructured proteins. A universal Cα-trace Landau free energy is deduced from general symmetry considerations, with the ensuing all-atom structure modeled using publicly available reconstruction programs Pulchra and Scwrl. As an example, the conformational stability of an amyloid precursor protein intra-cellular domain (AICD) is inspected; the reference conformation is the crystallographic structure with code 3DXC in Protein Data Bank (PDB) that describes a heterodimer of AICD and a nuclear multi-domain adaptor protein Fe65. Those conformations of AICD that correspond to local or near-local minima of the Landau free energy are identified. For this, the response of the original 3DXC conformation to variations in the ambient temperature is investigated, using the Glauber algorithm. The conclusion is that in isolation the AICD conformation in 3DXC must be unstable. A family of degenerate conformations that minimise the Landau free energy is identified, and it is proposed that the native state of an isolated AICD is a superposition of these conformations. The results are fully in line with the presumed intrinsically unstructured character of isolated AICD and should provide a basis for a systematic analysis of AICD structure in future NMR experiments.

Conformational landscape of an amyloid intra-cellular domain and Landau-Ginzburg-Wilson paradigm in protein dynamics

International Nuclear Information System (INIS)

Dai, Jin; He, Jianfeng; Niemi, Antti J.

2016-01-01

The Landau-Ginzburg-Wilson paradigm is proposed as a framework, to investigate the conformational landscape of intrinsically unstructured proteins. A universal Cα-trace Landau free energy is deduced from general symmetry considerations, with the ensuing all-atom structure modeled using publicly available reconstruction programs Pulchra and Scwrl. As an example, the conformational stability of an amyloid precursor protein intra-cellular domain (AICD) is inspected; the reference conformation is the crystallographic structure with code 3DXC in Protein Data Bank (PDB) that describes a heterodimer of AICD and a nuclear multi-domain adaptor protein Fe65. Those conformations of AICD that correspond to local or near-local minima of the Landau free energy are identified. For this, the response of the original 3DXC conformation to variations in the ambient temperature is investigated, using the Glauber algorithm. The conclusion is that in isolation the AICD conformation in 3DXC must be unstable. A family of degenerate conformations that minimise the Landau free energy is identified, and it is proposed that the native state of an isolated AICD is a superposition of these conformations. The results are fully in line with the presumed intrinsically unstructured character of isolated AICD and should provide a basis for a systematic analysis of AICD structure in future NMR experiments.

Microscopic Derivation of the Ginzburg-Landau Model

DEFF Research Database (Denmark)

Frank, Rupert; Hainzl, Christian; Seiringer, Robert

2014-01-01

We present a summary of our recent rigorous derivation of the celebrated Ginzburg-Landau (GL) theory, starting from the microscopic Bardeen-Cooper-Schrieffer (BCS) model. Close to the critical temperature, GL arises as an effective theory on the macroscopic scale. The relevant scaling limit...

Ginzburg-Landau theory of the superheating field anisotropy of layered superconductors

Science.gov (United States)

Liarte, Danilo B.; Transtrum, Mark K.; Sethna, James P.

2016-10-01

We investigate the effects of material anisotropy on the superheating field of layered superconductors. We provide an intuitive argument both for the existence of a superheating field, and its dependence on anisotropy, for κ =λ /ξ (the ratio of magnetic to superconducting healing lengths) both large and small. On the one hand, the combination of our estimates with published results using a two-gap model for MgB2 suggests high anisotropy of the superheating field near zero temperature. On the other hand, within Ginzburg-Landau theory for a single gap, we see that the superheating field shows significant anisotropy only when the crystal anisotropy is large and the Ginzburg-Landau parameter κ is small. We then conclude that only small anisotropies in the superheating field are expected for typical unconventional superconductors near the critical temperature. Using a generalized form of Ginzburg Landau theory, we do a quantitative calculation for the anisotropic superheating field by mapping the problem to the isotropic case, and present a phase diagram in terms of anisotropy and κ , showing type I, type II, or mixed behavior (within Ginzburg-Landau theory), and regions where each asymptotic solution is expected. We estimate anisotropies for a number of different materials, and discuss the importance of these results for radio-frequency cavities for particle accelerators.

Effective Ginzburg–Landau free energy functional for multi-band isotropic superconductors

International Nuclear Information System (INIS)

Grigorishin, Konstantin V.

2016-01-01

Highlights: • The intergradient coupling of order parameters in a two-band superconductor plays important role and cannot be neglected. • A two-band superconductor must be characterized with a single coherence length and a single Ginzburg–Landau parameter. • Type-1.5 superconductors are impossible. • The free energy functional for a multi-band superconductor can be reduced to the effective single-band Ginzburg–Landau functional. - Abstract: It has been shown that interband mixing of gradients of two order parameters (drag effect) in an isotropic bulk two-band superconductor plays important role – such a quantity of the intergradients coupling exists that the two-band superconductor is characterized with a single coherence length and a single Ginzburg–Landau (GL) parameter. Other quantities or neglecting of the drag effect lead to existence of two coherence lengths and dynamical instability due to violation of the phase relations between the order parameters. Thus so-called type-1.5 superconductors are impossible. An approximate method for solving of set of GL equations for a multi-band superconductor has been developed: using the result about the drag effect it has been shown that the free-energy functional for a multi-band superconductor can be reduced to the GL functional for an effective single-band superconductor.

Ginzburg-Landau equation as a heuristic model for generating rogue waves

Science.gov (United States)

Lechuga, Antonio

2016-04-01

Envelope equations have many applications in the study of physical systems. Particularly interesting is the case 0f surface water waves. In steady conditions, laboratory experiments are carried out for multiple purposes either for researches or for practical problems. In both cases envelope equations are useful for understanding qualitative and quantitative results. The Ginzburg-Landau equation provides an excellent model for systems of that kind with remarkable patterns. Taking into account the above paragraph the main aim of our work is to generate waves in a water tank with almost a symmetric spectrum according to Akhmediev (2011) and thus, to produce a succession of rogue waves. The envelope of these waves gives us some patterns whose model is a type of Ginzburg-Landau equation, Danilov et al (1988). From a heuristic point of view the link between the experiment and the model is achieved. Further, the next step consists of changing generating parameters on the water tank and also the coefficients of the Ginzburg-Landau equation, Lechuga (2013) in order to reach a sufficient good approach.

Integrability and structural stability of solutions to the Ginzburg-Landau equation

Science.gov (United States)

Keefe, Laurence R.

1986-01-01

The integrability of the Ginzburg-Landau equation is studied to investigate if the existence of chaotic solutions found numerically could have been predicted a priori. The equation is shown not to possess the Painleveproperty, except for a special case of the coefficients that corresponds to the integrable, nonlinear Schroedinger (NLS) equation. Regarding the Ginzburg-Landau equation as a dissipative perturbation of the NLS, numerical experiments show all but one of a family of two-tori solutions, possessed by the NLS under particular conditions, to disappear under real perturbations to the NLS coefficients of O(10 to the -6th).

Exact solutions of generalized Zakharov and Ginzburg-Landau equations

International Nuclear Information System (INIS)

Zhang Jinliang; Wang Mingliang; Gao Kequan

2007-01-01

By using the homogeneous balance principle, the exact solutions of the generalized Zakharov equations and generalized Ginzburg-Landau equation are obtained with the aid of a set of subsidiary higher-order ordinary differential equations (sub-equations for short)

Homotopy classification of minimizers of the Ginzburg-Landau energy and the existence of permanent currents

International Nuclear Information System (INIS)

Rubinstein, J.

1996-01-01

Our objective is to explain the phenomenon of permanent currents within the context of the Ginzburg-Landau model for superconductors. Using variational techniques we make a connection between the formation of permanent currents and the topology of the superconducting sample. (orig.)

Drift of Spiral Waves in Complex Ginzburg-Landau Equation

International Nuclear Information System (INIS)

Yang Junzhong; Zhang Mei

2006-01-01

The spontaneous drift of the spiral wave in a finite domain in the complex Ginzburg-Landau equation is investigated numerically. By using the interactions between the spiral wave and its images, we propose a phenomenological theory to explain the observations.

On the Ginzburg-Landau critical field in three dimensions

DEFF Research Database (Denmark)

Fournais, Søren; Helffer, Bernard

2009-01-01

We study the three-dimensional Ginzburg-Landau model of superconductivity. Several natural definitions of the (third) critical field, HC3, governing the transition from the superconducting state to the normal state, are considered. We analyze the relation between these fields and give conditions ...

Energie du type Ginzburg-Landau avec un terme de chevillage

OpenAIRE

AMARI, Nassima

2010-01-01

L’objectif de ce travail est l’étude d’un modèle bidimensionnel de Ginzburg-Landau avec un problème de l’ancrage (pinning) des vortex. La principale difficulté en réitérant l’approche faite par F. Béthuel, H. Brézis et F. Hélein, résulte du fait que la construction de mauvais disques ne soit pas évidente. Pour surmonter cette difficulté,on remplace le minimiseur u epsilon par v epsilon U epsilon. Cette substitution nous conduit à l'étude d'une énergie classique (qui correspond à p=1). ...

Construction of the dual Ginzburg-Landau theory from the lattice QCD

International Nuclear Information System (INIS)

Suganuma, H.; Amemiya, K.; Ichie, H.; Koma, Y.

2002-01-01

We roughly review the QCD physics and then introduce recent topics on the confinement physics. In the maximally abelian (MA) gauge, the low-energy QCD is abelianized owing to the effective off-diagonal gluon mass M off ≅ 1.2 GeV induced by the MA gauge fixing. We demonstrate the construction of the dual Ginzburg-Landau (DGL) theory from the low-energy QCD in the MA gauge in terms of the lattice QCD evidences on infrared abelian dominance and infrared monopole condensation. (author)

Chiral algebras in Landau-Ginzburg models

Science.gov (United States)

Dedushenko, Mykola

2018-03-01

Chiral algebras in the cohomology of the {\\overline{Q}}+ supercharge of two-dimensional N=(0,2) theories on flat spacetime are discussed. Using the supercurrent multiplet, we show that the answer is renormalization group invariant for theories with an R-symmetry. For N=(0,2) Landau-Ginzburg models, the chiral algebra is determined by the operator equations of motion, which preserve their classical form, and quantum renormalization of composite operators. We study these theories and then specialize to the N=(2,2) models and consider some examples.

Ginzburg-Landau equation and vortex liquid phase of Fermi liquid superconductors

International Nuclear Information System (INIS)

Ng, T-K; Tse, W-T

2007-01-01

In this paper we study the Ginzburg-Landau (GL) equation for Fermi liquid superconductors with strong Landau interactions F 0s and F 1s . We show that Landau interactions renormalize two parameters entering the GL equation, leading to the renormalization of the compressibility and superfluid density. The renormalization of the superfluid density in turn leads to an unconventional (2D) Berezinskii-Kosterlitz-Thouless (BKT) transition and vortex liquid phase. Application of the GL equation to describe underdoped high-T c cuprates is discussed

Boundary condition for Ginzburg-Landau theory of superconducting layers

Czech Academy of Sciences Publication Activity Database

Koláček, Jan; Lipavský, Pavel; Morawetz, K.; Brandt, E. H.

2009-01-01

Roč. 79, č. 17 (2009), 174510/1-174510/6 ISSN 1098-0121 R&D Projects: GA ČR GA202/08/0326; GA AV ČR IAA100100712 Institutional research plan: CEZ:AV0Z10100521 Keywords : superconductivity * Ginzburg-Landau theory Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.475, year: 2009

Time-dependent Ginzburg-Landau equations for rotating and accelerating superconductors

Czech Academy of Sciences Publication Activity Database

Lipavský, P.; Bok, J.; Koláček, Jan

2013-01-01

Roč. 492, Sept (2013), 144-151 ISSN 0921-4534 R&D Projects: GA ČR(CZ) GAP204/11/0015 Institutional support: RVO:68378271 Keywords : superconductivity * Ginzburg-Landau theory * London field Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.110, year: 2013

Gauges for the Ginzburg-Landau equations of superconductivity

International Nuclear Information System (INIS)

Fleckinger-Pelle, J.; Kaper, H.G.

1995-01-01

This note is concerned with gauge choices for the time-dependent Ginzburg-Landau equations of superconductivity. The requiations model the state of a superconducting sample in a magnetic field near the critical tempeature. Any two solutions related through a ''gauge transformation'' describe the same state and are physically indistinquishable. This ''gauge invariance'' can be exploited for analtyical and numerical purposes. A new gauge is proposed, which reduces the equations to a particularly attractive form

Efficient solution of 3D Ginzburg-Landau problem for mesoscopic superconductors

International Nuclear Information System (INIS)

Pereira, Paulo J; Moshchalkov, Victor V; Chibotaru, Liviu F

2014-01-01

The recently proposed approach for the solution of Ginzburg-Landau (GL) problem for 2D samples of arbitrary shape is, in this article, extended over 3D samples having the shape of (i) a prism with arbitrary base and (ii) a solid of revolution with arbitrary profile. Starting from the set of Laplace operator eigenfunctions of a 2D object, we construct an approximation to or the exact eigenfunctions of the Laplace operator of a 3D structure by applying an extrusion or revolution to these solutions. This set of functions is used as the basis to construct the solutions of the linearized GL equation. These solutions are then used as basis for the non-linear GL equation much like the famous LCAO method. To solve the non-linear equation, we used the Newton-Raphson method starting from the solution of the linear equation, i.e., the nucleation distribution of superconducting condensate. The vector potential approximations typically used in 2D cases, i.e., considering it as corresponding to applied constant field, are in the 3D case harder to justify. For that reason, we use a locally corrected Nystrom method to solve the second Ginzburg-Landau equation. The complete solution of GL problem is then achieved by solving self-consistently both equations

Self-consistent Ginzburg-Landau theory for transport currents in superconductors

DEFF Research Database (Denmark)

Ögren, Magnus; Sørensen, Mads Peter; Pedersen, Niels Falsig

2012-01-01

We elaborate on boundary conditions for Ginzburg-Landau (GL) theory in the case of external currents. We implement a self-consistent theory within the finite element method (FEM) and present numerical results for a two-dimensional rectangular geometry. We emphasize that our approach can in princi...... in principle also be used for general geometries in three-dimensional superconductors....

Dynamics for the complex Ginzburg-Landau equation on non-cylindrical domains II: The monotone case

Science.gov (United States)

Zhou, Feng; Sun, Chunyou; Cheng, Jiaqi

2018-02-01

In this article, we continue the study of the dynamics of the following complex Ginzburg-Landau equation ∂tu - (λ + iα)Δu + (κ + iβ)|u|p-2u - γu = f(t) on non-cylindrical domains. We assume that the spatial domains are bounded and increase with time, which is different from the diffeomorphism case presented in Zhou and Sun [Discrete Contin. Dyn. Syst., Ser. B 21, 3767-3792 (2016)]. We develop a new penalty function to establish the existence and uniqueness of a variational solution satisfying energy equality as well as some energy inequalities and prove the existence of a D -pullback attractor for the non-autonomous dynamical system generated by this class of solutions.

Electrostatic field in superconductors IV: theory of Ginzburg-Landau type

Czech Academy of Sciences Publication Activity Database

Lipavský, Pavel; Koláček, Jan

2009-01-01

Roč. 23, 20-21 (2009), s. 4505-4511 ISSN 0217-9792 R&D Projects: GA ČR GA202/04/0585; GA ČR GA202/05/0173; GA AV ČR IAA1010312 Institutional research plan: CEZ:AV0Z10100521 Keywords : superconductivity * Ginzburg-Landau theory Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.408, year: 2009

Exact solutions of the one-dimensional generalized modified complex Ginzburg-Landau equation

International Nuclear Information System (INIS)

Yomba, Emmanuel; Kofane, Timoleon Crepin

2003-01-01

The one-dimensional (1D) generalized modified complex Ginzburg-Landau (MCGL) equation for the traveling wave systems is analytically studied. Exact solutions of this equation are obtained using a method which combines the Painleve test for integrability in the formalism of Weiss-Tabor-Carnevale and Hirota technique of bilinearization. We show that pulses, fronts, periodic unbounded waves, sources, sinks and solution as collision between two fronts are the important coherent structures that organize much of the dynamical properties of these traveling wave systems. The degeneracies of the 1D generalized MCGL equation are examined as well as several of their solutions. These degeneracies include two important equations: the 1D generalized modified Schroedinger equation and the 1D generalized real modified Ginzburg-Landau equation. We obtain that the one parameter family of traveling localized source solutions called 'Nozaki-Bekki holes' become a subfamily of the dark soliton solutions in the 1D generalized modified Schroedinger limit

Geometry of (0,2) Landau-Ginzburg orbifolds

International Nuclear Information System (INIS)

Kawai, Toshiya; Mohri, Kenji

1994-01-01

Several aspects of (0,2) Landau-Ginzburg orbifolds are investigated. Especially the elliptic genera are computed in general and, for a class of models recently invented by Distler and Kachru, they are compared with the ones from (0,2) sigma models. Our formalism gives an easy way to calculate the generation numbers for lots of Distler-Kachru models even if they are based on singular Calabi-Yau spaces. We also make some general remarks on the Born-Oppenheimer calculation of the ground states elucidating its mathematical meaning in the untwisted sector. For Distler-Kachru models based on non-singular Calabi-Yau spaces we show that there exist ''residue'' type formulas of the elliptic genera as well. ((orig.))

Variational principles for Ginzburg-Landau equation by He's semi-inverse method

International Nuclear Information System (INIS)

Liu, W.Y.; Yu, Y.J.; Chen, L.D.

2007-01-01

Via the semi-inverse method of establishing variational principles proposed by He, a generalized variational principle is established for Ginzburg-Landau equation. The present theory provides a quite straightforward tool to the search for various variational principles for physical problems. This paper aims at providing a more complete theoretical basis for applications using finite element and other direct variational methods

Domain Walls and Textured Vortices in a Two-Component Ginzburg-Landau Model

DEFF Research Database (Denmark)

Madsen, Søren Peder; Gaididei, Yu. B.; Christiansen, Peter Leth

2005-01-01

coupling between the two order parameters a ''textured vortex'' is found by analytical and numerical solution of the Ginzburg-Landau equations. With a Josephson type coupling between the two order parameters we find the system to split up in two domains separated by a domain wall, where the order parameter...... is depressed to zero....

Derivation of Ginzburg-Landau theory for a one-dimensional system with contact interaction

DEFF Research Database (Denmark)

Frank, Rupert; Hanizl, Christian; Seiringer, Robert

2013-01-01

In a recent paper we give the first rigorous derivation of the celebrated Ginzburg-Landau (GL) theory, starting from the microscopic Bardeen-Cooper-Schrieffer (BCS) model. Here we present our results in the simplified case of a one-dimensional system of particles interacting via a delta-potential....

Landau-Ginzburg Limit of Black Hole's Quantum Portrait: Self Similarity and Critical Exponent

CERN Document Server

Dvali, Gia

2012-01-01

Recently we have suggested that the microscopic quantum description of a black hole is an overpacked self-sustained Bose-condensate of N weakly-interacting soft gravitons, which obeys the rules of 't Hooft's large-N physics. In this note we derive an effective Landau-Ginzburg Lagrangian for the condensate and show that it becomes an exact description in a semi-classical limit that serves as the black hole analog of 't Hooft's planar limit. The role of a weakly-coupled Landau-Ginzburg order parameter is played by N. This description consistently reproduces the known properties of black holes in semi-classical limit. Hawking radiation, as the quantum depletion of the condensate, is described by the slow-roll of the field N. In the semiclassical limit, where black holes of arbitrarily small size are allowed, the equation of depletion is self similar leading to a scaling law for the black hole size with critical exponent 1/3.

Gradient corrections to the time-dependent Ginzburg-Landau eqzation for anisotropic perturbations of quasiparticles

Czech Academy of Sciences Publication Activity Database

Lin, P.-J.; Lipavský, Pavel

2008-01-01

Roč. 77, č. 14 (2008), 144505/1-144505/16 ISSN 1098-0121 Institutional research plan: CEZ:AV0Z10100521 Keywords : non-equilibrium superconductivity * Ginzburg-Landau theory Subject RIV: BE - Theoretical Physics Impact factor: 3.322, year: 2008

Ginzburg-Landau theory and the superconducting transition in thin, amorphous bismuth films

International Nuclear Information System (INIS)

Van Vechten, D.

1979-01-01

The Aslamasov-Larkin (AL) theory can be derived from a classical treatment of the conductivity due to short-lived statistical fluctuations into the superconducting state if one truncates the Ginzburg-Landau free energy density expression to read F[psi] = α 0 vertical barpsi vertical bar 2 + c 0 vertical bar del psi vertical bar 2 , where psi is the superconducting order parameter. The next largest term in the GL free energy is (b/2) (vertical bar psi vertical bar 2 ) 2 and is conventionally interpreted as representing the energy associated with interactions between the fluctuations. My dissertation consists of the calculation of the effect of this term on the fluctuation conductivity in three different approximations and the comparison of my predictions to the data of R.E. Glover III and M.K. Chien on thin amorphous bismuth films. The first approximation calculates the contribution to the fluctuations' self energy of the ''tadpole'' diagrams. This approximation yields a 4 parameter equation. Its fits were particularly outstanding for the films deposited on quartz or roughened glass substrates and only for two smooth glass substrates were there non-isolated data points that were not fit at the lowest temperatures measured. (The equation runs into trouble for these films at approximately R(T)/R/sub o/ =.08.) The values of the theoretical equation's fitting parameters were determined by a least squares method and turns out to depend on film thickness in the manner predicted by the theory. The next calculation improves the self energy approximation by including all the ''ring'' diagrams

Dynamics of perturbed wavetrain solutions to the Ginzburg-Landau equation

International Nuclear Information System (INIS)

Keefe, L.R.

1984-01-01

The bifurcation structure of even, spatially periodic solutions to the time-dependent Ginzburg-Landau equation is investigated analytically and numerically. A rich variety of behavior, including limit cycles, two-tori, period-doubling sequences, and strange attractors are found to exist in the phase space of the solutions constructed from spatial Fourier modes. Beginning with unstable perturbations to the spatially homogeneous Stokes solution, changes in solution behavior are examined as the perturbing wavenumber q is varied in the range 0.6 to 1.3. Solution bifurcations as q changes are often found to be associated with symmetry making or breaking changes in the structure of attractors in phase space. Two distinct mirror image attractors are found to coexist for many values of q. Chaotic motion is found for two ranges of q Lyapunov exponents of the solutions and the Lyapunov dimension of the corresponding attractors are calculated for the larger of these regions. Poincare sections of the attractors within this chaotic range are consistent with the dimension calculation and also reveal a bifurcation structure within the chaos which broadly resembles that found in one-dimensional quadratic maps. The integrability of the Ginzburg-Landau equation is also examined. It is demonstrated that the equation does not possess the Painleve property, except for a special case of the coefficients which corresponds to the integrable non-linear Schroedinger (NLS) equation

Landau-Ginzburg orbifolds and symmetries of K3 CFTs

Science.gov (United States)

Cheng, Miranda C. N.; Ferrari, Francesca; Harrison, Sarah M.; Paquette, Natalie M.

2017-01-01

Recent developments in the study of the moonshine phenomenon, including umbral and Conway moonshine, suggest that it may play an important role in encoding the action of finite symmetry groups on the BPS spectrum of K3 string theory. To test and clarify these proposed K3-moonshine connections, we study Landau-Ginzburg orbifolds that flow to conformal field theories in the moduli space of K3 sigma models. We compute K3ellipticgeneratwinedbydiscretesymmetriesthataremanifestintheUVdescription, though often inaccessible in the IR. We obtain various twining functions coinciding with moonshine predictions that have not been observed in physical theories before. These include twining functions arising from Mathieu moonshine, other cases of umbral moonshine, and Conway moonshine. For instance, all functions arising from M 11 ⊂ 2 .M 12 moonshine appear as explicit twining genera in the LG models, which moreover admit a uniform description in terms of its natural 12-dimensional representation. Our results provide strong evidence for the relevance of umbral moonshine for K3 symmetries, as well as new hints for its eventual explanation.

Fractional generalization of the Ginzburg–Landau equation: an unconventional approach to critical phenomena in complex media

DEFF Research Database (Denmark)

Milovanov, A.V.; Juul Rasmussen, J.

2005-01-01

Equations built on fractional derivatives prove to be a powerful tool in the description of complex systems when the effects of singularity, fractal supports, and long-range dependence play a role. In this Letter, we advocate an application of the fractional derivative formalism to a fairly general...... class of critical phenomena when the organization of the system near the phase transition point is influenced by a competing nonlocal ordering. Fractional modifications of the free energy functional at criticality and of the widely known Ginzburg-Landau equation central to the classical Landau theory...... of second-type phase transitions are discussed in some detail. An implication of the fractional Ginzburg-Landau equation is a renormalization of the transition temperature owing to the nonlocality present. (c) 2005 Elsevier B.V. All rights reserved....

An Approach to Quad Meshing Based On Cross Valued Maps and the Ginzburg-Landau Theory

Energy Technology Data Exchange (ETDEWEB)

Viertel, Ryan [Univ. of Utah, Salt Lake City, UT (United States). Dept. of Mathematics; Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Osting, Braxton [Univ. of Utah, Salt Lake City, UT (United States). Dept. of Mathematics

2017-08-01

A generalization of vector fields, referred to as N-direction fields or cross fields when N=4, has been recently introduced and studied for geometry processing, with applications in quadrilateral (quad) meshing, texture mapping, and parameterization. We make the observation that cross field design for two-dimensional quad meshing is related to the well-known Ginzburg-Landau problem from mathematical physics. This identification yields a variety of theoretical tools for efficiently computing boundary-aligned quad meshes, with provable guarantees on the resulting mesh, for example, the number of mesh defects and bounds on the defect locations. The procedure for generating the quad mesh is to (i) find a complex-valued "representation" field that minimizes the Dirichlet energy subject to a boundary constraint, (ii) convert the representation field into a boundary-aligned, smooth cross field, (iii) use separatrices of the cross field to partition the domain into four sided regions, and (iv) mesh each of these four-sided regions using standard techniques. Under certain assumptions on the geometry of the domain, we prove that this procedure can be used to produce a cross field whose separatrices partition the domain into four sided regions. To solve the energy minimization problem for the representation field, we use an extension of the Merriman-Bence-Osher (MBO) threshold dynamics method, originally conceived as an algorithm to simulate motion by mean curvature, to minimize the Ginzburg-Landau energy for the optimal representation field. Lastly, we demonstrate the method on a variety of test domains.

Pattern selection and spatio-temporal transition to chaos in Ginzburg-Landau equation

Energy Technology Data Exchange (ETDEWEB)

Nozaki, K; Bekki, N

1983-07-01

It is shown that a modulationally unstable pattern is selected and propagates into an initially unstable motionless state in the 1-D generalized Ginzburg-Landau equation. A further spatio-temporal transition occurs with a sharp interface from the selected unstable pattern to a stabilized pattern or a chaotic state. The distinct transition makes a coherent structure to coexist with a chaotic state. 12 refs., 4 figs.

Spectrum of the linearized operator for the Ginzburg-Landau equation

Directory of Open Access Journals (Sweden)

Tai-Chia Lin

2000-06-01

Full Text Available We study the spectrum of the linearized operator for the Ginzburg-Landau equation about a symmetric vortex solution with degree one. We show that the smallest eigenvalue of the linearized operator has multiplicity two, and then we describe its behavior as a small parameter approaches zero. We also find a positive lower bound for all the other eigenvalues, and find estimates of the first eigenfunction. Then using these results, we give partial results on the dynamics of vortices in the nonlinear heat and Schrodinger equations.

Localization in nonuniform media: Exponential decay of the late-time Ginzburg-Landau impulse response

International Nuclear Information System (INIS)

Smith, E.

1998-01-01

Instanton methods have been used, in the context of a classical Ginzburg-Landau field theory, to compute the averaged density of states and probability Green close-quote s function for electrons scattered by statistically uniform site energy perturbations. At tree level, all states below some critical energy appear localized, and all states above extended. The same methods are applied here to macroscopically nonuniform systems, for which it is shown that localized and extended states can be coupled through a tunneling barrier created by the instanton background. Both electronic and acoustic systems are considered. An incoherent exponential decay is predicted for the late-time impulse response in both cases, valid for long-wavelength nonuniformity, and scaling relations are derived for the decay time constant as a function of energy or frequency and spatial dimension. The acoustic results are found to lie within a range of scaling relations obtained empirically from measurements of seismic coda, suggesting a connection between the universal properties of localization and the robustness of the observed scaling. The relation of instantons to the acoustic coherent-potential approximation is demonstrated in the recovery of the uniform limit. copyright 1998 The American Physical Society

Landau-Ginzburg orbifolds and symmetries of K3 CFTs

International Nuclear Information System (INIS)

Cheng, Miranda C. N.; Ferrari, Francesca; Harrison, Sarah M.; Paquette, Natalie M.

2017-01-01

Recent developments in the study of the moonshine phenomenon, including umbral and Conway moonshine, suggest that it may play an important role in encoding the action of finite symmetry groups on the BPS spectrum of K 3 string theory. To test and clarify these proposed K 3 -moonshine connections, we study Landau-Ginzburg orbifolds that flow to conformal field theories in the moduli space of K 3 sigma models. We compute K 3 elliptic genera twined by discrete symmetries that are manifest in the UV description, though often inaccessible in the IR. We obtain various twining functions coinciding with moonshine predictions that have not been observed in physical theories before. These include twining functions arising from Mathieu moonshine, other cases of umbral moonshine, and Conway moonshine. For instance, all functions arising from M 11 c 2.M 12 moonshine appear as explicit twining genera in the LG models, which moreover admit a uniform description in terms of its natural 12-dimensional representation. Finally, our results provide strong evidence for the relevance of umbral moonshine for K 3 symmetries, as well as new hints for its eventual explanation.

Specific heat of Ginzburg-Landau fields in the n-1 expansion

International Nuclear Information System (INIS)

Bray, A.J.

1975-01-01

The n -1 expansion for the specific heat C/subv/ of the n-component Ginzburg-Landau model is discussed in terms of an n -1 expansion for the irreducible polarization. In the low-temperature limit, each successive term of the latter expansion diverges more strongly than the last, invalidating a truncation of this series at any finite order in 1/n. The most divergent terms in each order are identified and summed. The results provide justification for the usual truncated expansions for C/subv/

Nonlocal Free Energy of a Spatially Inhomogeneous Superconductor

International Nuclear Information System (INIS)

Grigorishin, K.V.; Lev, B.I.

2012-01-01

The microscopic approach is developed for obtaining of the free energy of a superconductor based on direct calculation of the vacuum amplitude. The free energy functional of the spatially inhomogeneous superconductor in a magnetic field is obtained with help of the developed approach. The obtained functional is generalization of Ginzburg-Landau functionals for any temperature, for arbitrary spatial variations of the order parameter and for the nonlocality of a magnetic response and the order parameter. Moreover, the nonlocality of the magnetic response is the consequence of order parameter's nonlocality. The extremals of this functional are considered in the explicit form in the low- and high-temperature limit at the condition of slowness of spatial variations of the order parameter. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Dual Ginzburg-Landau theory and quark nuclear physics

International Nuclear Information System (INIS)

Toki, H.; Suganuma, H.; Ichie, H.; Monden, H.; Umisedo, S.

1998-01-01

In quark nuclear physics (QNP), where hadrons and nuclei are described in terms of quarks and gluons, confinement and chiral symmetry breaking are the most fundamental phenomena. The dual Ginzburg-Landau (DGL) theory, which contains monopole fields as the most essential degrees of freedom and their condensation in the vacuum, is able to describe both phenomena. We discuss also the recovery of the chiral symmetry and the deconfinement phase transition at finite temperature in the DGL theory. As for the connection to QCD, we study the instanton configurations in the abelian gauge a la 't Hooft. We find a close connection between instantons and QCD monopoles. We demonstrate also the signature of confinement as the appearance of long monopole trajectories in the MA gauge for the case of dense instanton configurations. (orig.)

Remarks on the Landau-Ginzburg potential and RG-flow for SU(2)-coset models

International Nuclear Information System (INIS)

Marzban, C.

1989-09-01

The existence of a Landau-Ginzburg (LG)-field for the SU(2)-coset models is motivated and conjectured. The general form of the LG potential for the A-series is found, and the RG-flow pattern suggested by this is shown to agree with that found by other authors, thereby further supporting the conjecture. (author). 17 refs

Spin Singlet Quantum Hall Effect and nonabelian Landau-Ginzburg theory

International Nuclear Information System (INIS)

Balatsky, A.

1991-01-01

In this paper we present a theory of Singlet Quantum Hall Effect (SQHE). We show that the Halperin-Haldane SQHE wave function can be written in the form of a product of a wave function for charged semions in a magnetic field and a wave function for the Chiral Spin Liquid of neutral spin-1/2 semions. We introduce field-theoretic model in which the electron operators are factorized in terms of charged spinless semions (holons) and neutral spin-1/2 semions (spinons). Broken time reversal symmetry and short ranged spin correlations lead to Su(2) κ=1 Chern-Simons term in Landau-Ginzburg action for SQHE phase. We construct appropriate coherent states for SQHE phase and show the existence of SU(2) valued gauge potential. This potential appears as a result of ''spin rigidity'' of the ground state against any displacements of nodes of wave function from positions of the particles and reflects the nontrivial monodromy in the presence of these displacenmants. We argue that topological structure of Su(2) κ=1 Chern-Simons theory unambiguously dictates semion statistics of spinons. 19 refs

Hc2 of anisotropy two-band superconductors by Ginzburg-Landau approach

International Nuclear Information System (INIS)

Udomsamuthirun, P.; Changjan, A.; Kumvongsa, C.; Yoksan, S.

2006-01-01

The purpose of this research is to study the upper critical field H c2 of two-band superconductors by two-band Ginzburg-Landau approach. The analytical formula of H c2 included anisotropy of order parameter and anisotropy of effective-mass are found. The parameters of the upper critical field in ab-plane (H c2 - bar ab ) and c-axis (H c2 - bar c ) can be found by fitting to the experimental data. Finally, we can find the ratio of upper critical field that temperature dependent in the range of experimental result

Dual Ginzburg-Landau theory and quark nuclear physics

International Nuclear Information System (INIS)

Toki, Hiroshi

1999-01-01

The elementary building blocks of matter are quarks. Hence, it is fundamental to describe hadrons and nuclei in terms of quarks and gluons, the subject of which is called Quark Nuclear Physics. The quark-dynamics is described by Quantum Chromodynamics (QCD). Our interest is the non-perturbative aspect of QCD as confinement, chiral symmetry breaking, hadronization etc. We introduce the dual Ginzburg-Landau theory (DGL), where the color monopole fields and their condensation is the QCD vacuum, play essential roles in describing these non-perturbative phenomena. We emphasize its connection to QCD through the use of the Abelian gauge. We apply the DGL theory to various observables. We discuss then the connection of the monopole fields with instantons, which are the classical solutions of the non-Abelian gauge theory and connect through the tunneling process QCD vacuum with different winding numbers. (author)

Topological Landau-Ginzburg theory with a rational potential and the dispersionless KP hierarchy

International Nuclear Information System (INIS)

Aoyama, S.; Kodama, Y.

1996-01-01

Based on the dispersionless KP (dKP) theory, we study a topological Landau-Ginzburg (LG) theory characterized by a rational potential. Writing the dKP hierarchy in a general form treating all the primaries in an equal basis, we find that the hierarchy naturally includes the dispersionless (continuous) limit of Toda hierarchy and its generalizations having a finite number of primaries. Several flat solutions of the topological LG theory are obtained in this formulation, and are identified with those discussed by Dubrovin. We explicitly construct gravitational descendants for all the primary fields. Giving a residue formula for the 3-point functions of the fields, we show that these 3-point functions satisfy the topological recursion relation. The string equation is obtained as the generalized hodograph solutions of the dKP hierarchy, which show that all the gravitational effects to the constitutive equations (2-point functions) can be renormalized into the coupling constants in the small phase space. (orig.)

Robust control problems of vortex dynamics in superconducting films with Ginzburg-Landau complex systems

OpenAIRE

Belmiloudi, Aziz

2006-01-01

We formulate and study robust control problems for a two-dimensional time-dependent Ginzburg-Landau model with Robin boundary conditions on phase-field parameter, which describes the phase transitions taking place in superconductor films with variable thickness. The objective of such study is to control the motion of vortices in the superconductor films by taking into account the influence of noises in data. Firstly, we introduce the perturbation problem of the nonlinear ...

Noise-sustained structure, Intermittency, and the Ginzburg--Landau equation

International Nuclear Information System (INIS)

Deissler, R.J.

1985-01-01

The time-dependent generalized Ginzburg--Landau equation is an equation that is related to many physical systems. Solutions of this equation in the presence of low-level external noise are studied. Numerical solutions of this equation in the stationary frame of refernce and with nonzero group velocity that is greater than a critical velocity exhibit a selective spatial amplification of noise resulting in spatially growing waves. These waves in turn result in the formation of a dynamic structure. It is found that the microscopic noise plays an importuant role in the macroscopic dynamics of the system. For certain parameter values the system exhibits intermittent turbulent behavior in which the random nature of the external noise plays a crucial role. A mechanism which may be responsible for the intermittent turbulence occurring in some fluid systems is suggested

Effect of colored noise on the critical dynamics of the Time-Dependent Landau-Ginzburg Model A

International Nuclear Information System (INIS)

Korutcheva, E.; Rubia, J. de la

1999-08-01

By using the dynamical renormalization-group method, we show that the introduction of an additive colored noise with weak long-range correlations in the Time-Dependent Landau-Ginzburg Model A, does not give perturbative corrections for the dynamical critical exponent at least up to order O(ε 2 ). This result differs for a system with random quenched impurities, where a similar type of impurity correlation leads to corrections even of order O(ε). (author)

Multi-flux-tube system in the dual Ginzburg-Landau theory

International Nuclear Information System (INIS)

Ichie, H.; Suganuma, H.; Toki, H.

1996-01-01

We study the multi-flux-tube system in terms of the dual Ginzburg-Landau theory. We consider two periodic cases, where the directions of all the flux tubes are the same in one case and alternating in the other case for neighboring flux tubes. We formulate the multi-flux-tube system by regarding it as the system of two flux tubes penetrating through a two-dimensional spherical surface. We find the multi-flux-tube configuration becomes uniform above some critical flux-tube number density ρ c =1.3 endash 1.7 fm -2 . On the other hand, the inhomogeneity of the color electric distribution appears when the flux-tube density is smaller than ρ c . We study the inhomogeneity on the color electric distribution in relation with the flux-tube number density, and discuss the quark-gluon plasma formation process in ultrarelativistic heavy-ion collisions. copyright 1996 The American Physical Society

Localization and traces in open-closed topological Landau-Ginzburg models

International Nuclear Information System (INIS)

Herbst, Manfred; Lazaroiu, Calin-Iuliu

2005-01-01

We reconsider the issue of localization in open-closed B-twisted Landau-Ginzburg models with arbitrary Calabi-Yau target. Through careful analysis of zero-mode reduction, we show that the closed model allows for a one-parameter family of localization pictures, which generalize the standard residue representation. The parameter λ which indexes these pictures measures the area of worldsheets with S 2 topology, with the residue representation obtained in the limit of small area. In the boundary sector, we find a double family of such pictures, depending on parameters λ and μ which measure the area and boundary length of worldsheets with disk topology. We show that setting μ = 0 and varying λ interpolates between the localization picture of the B-model with a noncompact target space and a certain residue representation proposed recently. This gives a complete derivation of the boundary residue formula, starting from the explicit construction of the boundary coupling. We also show that the various localization pictures are related by a semigroup of homotopy equivalences

Coarse graining from variationally enhanced sampling applied to the Ginzburg-Landau model

Science.gov (United States)

Invernizzi, Michele; Valsson, Omar; Parrinello, Michele

2017-03-01

A powerful way to deal with a complex system is to build a coarse-grained model capable of catching its main physical features, while being computationally affordable. Inevitably, such coarse-grained models introduce a set of phenomenological parameters, which are often not easily deducible from the underlying atomistic system. We present a unique approach to the calculation of these parameters, based on the recently introduced variationally enhanced sampling method. It allows us to obtain the parameters from atomistic simulations, providing thus a direct connection between the microscopic and the mesoscopic scale. The coarse-grained model we consider is that of Ginzburg-Landau, valid around a second-order critical point. In particular, we use it to describe a Lennard-Jones fluid in the region close to the liquid-vapor critical point. The procedure is general and can be adapted to other coarse-grained models.

Free energy distribution function of a random Ising ferromagnet

International Nuclear Information System (INIS)

Dotsenko, Victor; Klumov, Boris

2012-01-01

We study the free energy distribution function of a weakly disordered Ising ferromagnet in terms of the D-dimensional random temperature Ginzburg–Landau Hamiltonian. It is shown that besides the usual Gaussian 'body' this distribution function exhibits non-Gaussian tails both in the paramagnetic and in the ferromagnetic phases. Explicit asymptotic expressions for these tails are derived. It is demonstrated that the tails are strongly asymmetric: the left tail (for large negative values of the free energy) is much slower than the right one (for large positive values of the free energy). It is argued that at the critical point the free energy of the random Ising ferromagnet in dimensions D < 4 is described by a non-trivial universal distribution function which is non-self-averaging

Plain and oscillatory solitons of the cubic complex Ginzburg-Landau equation with nonlinear gradient terms

Science.gov (United States)

Facão, M.; Carvalho, M. I.

2017-10-01

In this work, we present parameter regions for the existence of stable plain solitons of the cubic complex Ginzburg-Landau equation (CGLE) with higher-order terms associated with a fourth-order expansion. Using a perturbation approach around the nonlinear Schrödinger equation soliton and a full numerical analysis that solves an ordinary differential equation for the soliton profiles and using the Evans method in the search for unstable eigenvalues, we have found that the minimum equation allowing these stable solitons is the cubic CGLE plus a term known in optics as Raman-delayed response, which is responsible for the redshift of the spectrum. The other favorable term for the occurrence of stable solitons is a term that represents the increase of nonlinear gain with higher frequencies. At the stability boundary, a bifurcation occurs giving rise to stable oscillatory solitons for higher values of the nonlinear gain. These oscillations can have very high amplitudes, with the pulse energy changing more than two orders of magnitude in a period, and they can even exhibit more complex dynamics such as period-doubling.

Finding equilibrium in the spatiotemporal chaos of the complex Ginzburg-Landau equation

Science.gov (United States)

Ballard, Christopher C.; Esty, C. Clark; Egolf, David A.

2016-11-01

Equilibrium statistical mechanics allows the prediction of collective behaviors of large numbers of interacting objects from just a few system-wide properties; however, a similar theory does not exist for far-from-equilibrium systems exhibiting complex spatial and temporal behavior. We propose a method for predicting behaviors in a broad class of such systems and apply these ideas to an archetypal example, the spatiotemporal chaotic 1D complex Ginzburg-Landau equation in the defect chaos regime. Building on the ideas of Ruelle and of Cross and Hohenberg that a spatiotemporal chaotic system can be considered a collection of weakly interacting dynamical units of a characteristic size, the chaotic length scale, we identify underlying, mesoscale, chaotic units and effective interaction potentials between them. We find that the resulting equilibrium Takahashi model accurately predicts distributions of particle numbers. These results suggest the intriguing possibility that a class of far-from-equilibrium systems may be well described at coarse-grained scales by the well-established theory of equilibrium statistical mechanics.

Ultrashort optical solitons in the cubic-quintic complex Ginzburg-Landau equation with higher-order terms

International Nuclear Information System (INIS)

Fewo, Serge I.; Kofane, Timoleon C.; Ngabireng, Claude M.

2008-01-01

With the help of the Maxwell equations, a basic equation modeling the propagation of ultrashort optical solitons in optical fiber is derived, namely the higher-order complex Ginzburg-Landau equation (HCGLE). Considering this one-dimensional HCGLE, we obtain a set of differential equations characterizing the variation of the pulse parameters called collective variables (CVs), of a pulse propagating in dispersion-managed (DM) fiber optic-links. Equations obtained are investigated numerically in order to observe the behaviour of pulse parameters along the optical fiber. A fully numerical simulation of the one-dimensional HCGLE finally tests the results of the CV theory. A good agreement between both methods is observed. Among various behaviours, chaotic pulses, attenuate pulses and stable pulses can be obtained under certain parameter values. (author)

The Landau theory of phase transitions

Indian Academy of Sciences (India)

2 Department of Computer Sci- ence, Indian ... in plasma physics, the Landau pole in quantum electro-. Keywords ... with Vitalyn Ginzburg, Landau made a milestone con- tribution to ..... This work was supported by the Physics Olympiad Pro-.

Calculation of strained BaTiO3 with different exchange correlation functionals examined with criterion by Ginzburg-Landau theory, uncovering expressions by crystallographic parameters

Science.gov (United States)

Watanabe, Yukio

2018-05-01

In the calculations of tetragonal BaTiO3, some exchange-correlation (XC) energy functionals such as local density approximation (LDA) have shown good agreement with experiments at room temperature (RT), e.g., spontaneous polarization (PS), and superiority compared with other XC functionals. This is due to the error compensation of the RT effect and, hence, will be ineffective in the heavily strained case such as domain boundaries. Here, ferroelectrics under large strain at RT are approximated as those at 0 K because the strain effect surpasses the RT effects. To find effective XC energy functionals for strained BaTiO3, we propose a new comparison, i.e., a criterion. This criterion is the properties at 0 K given by the Ginzburg-Landau (GL) theory because GL theory is a thermodynamic description of experiments working under the same symmetry-constraints as ab initio calculations. With this criterion, we examine LDA, generalized gradient approximations (GGA), meta-GGA, meta-GGA + local correlation potential (U), and hybrid functionals, which reveals the high accuracy of some XC functionals superior to XC functionals that have been regarded as accurate. This result is examined directly by the calculations of homogenously strained tetragonal BaTiO3, confirming the validity of the new criterion. In addition, the data points of theoretical PS vs. certain crystallographic parameters calculated with different XC functionals are found to lie on a single curve, despite their wide variations. Regarding these theoretical data points as corresponding to the experimental results, analytical expressions of the local PS using crystallographic parameters are uncovered. These expressions show the primary origin of BaTiO3 ferroelectricity as oxygen displacements. Elastic compliance and electrostrictive coefficients are estimated. For the comparison of strained results, we show that the effective critical temperature TC under strain 1000 K from an approximate method combining ab initio

c-T phase diagram and Landau free energies of (AgAu)55 nanoalloy via neural-network molecular dynamic simulations.

Science.gov (United States)

Chiriki, Siva; Jindal, Shweta; Bulusu, Satya S

2017-10-21

For understanding the structure, dynamics, and thermal stability of (AgAu) 55 nanoalloys, knowledge of the composition-temperature (c-T) phase diagram is essential due to the explicit dependence of properties on composition and temperature. Experimentally, generating the phase diagrams is very challenging, and therefore theoretical insight is necessary. We use an artificial neural network potential for (AgAu) 55 nanoalloys. Predicted global minimum structures for pure gold and gold rich compositions are lower in energy compared to previous reports by density functional theory. The present work based on c-T phase diagram, surface area, surface charge, probability of isomers, and Landau free energies supports the enhancement of catalytic property of Ag-Au nanoalloys by incorporation of Ag up to 24% by composition in Au nanoparticles as found experimentally. The phase diagram shows that there is a coexistence temperature range of 70 K for Ag 28 Au 27 compared to all other compositions. We propose the power spectrum coefficients derived from spherical harmonics as an order parameter to calculate Landau free energies.

The effect of boundaries on the asymptotic wavenumber of spiral wave solutions of the complex Ginzburg–Landau equation

KAUST Repository

Aguareles, M.

2014-01-01

In this paper we consider an oscillatory medium whose dynamics are modeled by the complex Ginzburg-Landau equation. In particular, we focus on n-armed spiral wave solutions of the complex Ginzburg-Landau equation in a disk of radius d

Thermodynamic properties of and Nuclei using modified Ginzburg-Landau theory

Directory of Open Access Journals (Sweden)

V Dehghani

2016-09-01

Full Text Available In this paper, formulation of Modified Ginsberg – Landau theory of second grade phase transitions has been expressed. Using this theory, termodynamic properties, such as heat capacity, energy, entropy and order parameters ofandnuclei has been investigated. In the heat capacity curve, calculated according to tempreture, a smooth peak is observed which is assumed to be a signature of transition from the paired phase to the normal phase of the nuclei. The same pattern is also observed in the experimental data of the heat capacity of the studied nuclei. Calculations of this model shows that, by increasing tempreture, expectation value of the order parameter tends to zero with smoother slip, comparing with Ginsberg – Landau theory. This indicates  that the pairing effect exists between nucleons even at high temperatures. The experimental data obtained confirms the results of the model qualitatively.

Fermion-induced quantum critical points

OpenAIRE

Li, Zi-Xiang; Jiang, Yi-Fan; Jian, Shao-Kai; Yao, Hong

2017-01-01

A unified theory of quantum critical points beyond the conventional Landau?Ginzburg?Wilson paradigm remains unknown. According to Landau cubic criterion, phase transitions should be first-order when cubic terms of order parameters are allowed by symmetry in the Landau?Ginzburg free energy. Here, from renormalization group analysis, we show that second-order quantum phase transitions can occur at such putatively first-order transitions in interacting two-dimensional Dirac semimetals. As such t...

The Landau-de Gennes theory of nematic liquid crystals: Uniaxiality versus Biaxiality

KAUST Repository

Majumdar, Apala

2011-12-01

We study small energy solutions within the Landau-de Gennes theory for nematic liquid crystals, subject to Dirichlet boundary conditions. We consider two-dimensional and three-dimensional domains separately. In the two-dimensional case, we establish the equivalence of the Landau-de Gennes and Ginzburg-Landau theory. In the three-dimensional case, we give a new definition of the defect set based on the normalized energy. In the threedimensional uniaxial case, we demonstrate the equivalence between the defect set and the isotropic set and prove the C 1,α-convergence of uniaxial small energy solutions to a limiting harmonic map, away from the defect set, for some 0 < a < 1, in the vanishing core limit. Generalizations for biaxial small energy solutions are also discussed, which include physically relevant estimates for the solution and its scalar order parameters. This work is motivated by the study of defects in liquid crystalline systems and their applications.

Ginzburg's invention of undulators and their role in modern synchrotron radiation sources and free electron lasers

International Nuclear Information System (INIS)

Kulipanov, Gennadii N

2007-01-01

Undulators - periodic magnetic structures that were originally introduced by Vitalii Ginzburg in 1947 for electromagnetic radiation generation using relativistic electrons - are among the key elements of modern synchrotron radiation sources and free electron lasers (FELs). In this talk, the history of three generations of storage ring-based synchrotron X-ray sources using wigglers and undulators is briefly traced. Prospects for two types of next-generation space-coherent X-ray sources are discussed, which use long undulators and energy recovery accelerators or, alternatively, employ linear accelerator-based FELs. The recently developed Novosibirsk terahertz FEL facility, currently the world' s most powerful terahertz source, is described. It was the generation of electromagnetic radiation in this range that Ginzburg discussed in his 1947 work. (oral issue of the journal 'uspekhi fizicheskikh nauk')

Ginzburg-Landau equations for a d-wave superconductor with applications to vortex structure and surface problems

International Nuclear Information System (INIS)

Xu, J.; Ren, Y.; Ting, C.S.

1995-01-01

The properties of a d x 2 -y 2 -wave superconductor in an external magnetic field are investigated on the basis of Gorkov's theory of weakly coupled superconductors. The Ginzburg-Landau (GL) equations, which govern the spatial variations of the order parameter and the supercurrent, are microscopically derived. The single vortex structure and surface problems in such a superconductor are studied using these equations. It is shown that the d-wave vortex structure is very different from the conventional s-wave vortex: the s-wave and d-wave components, with the opposite winding numbers, are found to coexist in the region near the vortex core. The supercurrent and local magnetic field around the vortex are calculated. Far away from the vortex core, both of them exhibit a fourfold symmetry, in contrast to an s-wave superconductor. The surface problem in a d-wave superconductor is also studied by solving the GL equations. The total order parameter near the surface is always a real combination of s- and d-wave components, which means that the proximity effect cannot induce a time-reversal symmetry-breaking state at the surface

Fast and high-order numerical algorithms for the solution of multidimensional nonlinear fractional Ginzburg-Landau equation

Science.gov (United States)

Mohebbi, Akbar

2018-02-01

In this paper we propose two fast and accurate numerical methods for the solution of multidimensional space fractional Ginzburg-Landau equation (FGLE). In the presented methods, to avoid solving a nonlinear system of algebraic equations and to increase the accuracy and efficiency of method, we split the complex problem into simpler sub-problems using the split-step idea. For a homogeneous FGLE, we propose a method which has fourth-order of accuracy in time component and spectral accuracy in space variable and for nonhomogeneous one, we introduce another scheme based on the Crank-Nicolson approach which has second-order of accuracy in time variable. Due to using the Fourier spectral method for fractional Laplacian operator, the resulting schemes are fully diagonal and easy to code. Numerical results are reported in terms of accuracy, computational order and CPU time to demonstrate the accuracy and efficiency of the proposed methods and to compare the results with the analytical solutions. The results show that the present methods are accurate and require low CPU time. It is illustrated that the numerical results are in good agreement with the theoretical ones.

Some applications of nonlinear diffusion to processing of dynamic evolution images

International Nuclear Information System (INIS)

Goltsov, Alexey N.; Nikishov, Sergey A.

1997-01-01

Model nonlinear diffusion equation with the most simple Landau-Ginzburg free energy functional was applied to locate boundaries between meaningful regions of low-level images. The method is oriented to processing images of objects that are a result of dynamic evolution: images of different organs and tissues obtained by radiography and NMR methods, electron microscope images of morphogenesis fields, etc. In the methods developed by us, parameters of the nonlinear diffusion model are chosen on the basis of the preliminary treatment of the images. The parameters of the Landau-Ginzburg free energy functional are extracted from the structure factor of the images. Owing to such a choice of the model parameters, the image to be processed is located in the vicinity of the steady-state of the diffusion equation. The suggested method allows one to separate distinct structures having specific space characteristics from the whole image. The method was applied to processing X-ray images of the lung

Collisional spin-oriented Sherman function in electron-hole semiconductor plasmas: Landau damping effect

Science.gov (United States)

Lee, Myoung-Jae; Jung, Young-Dae

2018-04-01

The influence of Landau damping on the spin-oriented collisional asymmetry is investigated in electron-hole semiconductor plasmas. The analytical expressions of the spin-singlet and the spin-triplet scattering amplitudes as well as the spin-oriented asymmetry Sherman function are obtained as functions of the scattering angle, the Landau parameter, the effective Debye length, and the collision energy. It is found that the Landau damping effect enhances the spin-singlet and spin-triplet scattering amplitudes in the forward and back scattering domains, respectively. It is also found that the Sherman function increases with an increase in the Landau parameter. In addition, the spin-singlet scattering process is found to be dominant rather than the spin-triplet scattering process in the high collision energy domain.

A collective variable approach and stabilization for dispersion-managed optical solitons in the quintic complex Ginzburg-Landau equation as perturbations of the nonlinear Schroedinger equation

International Nuclear Information System (INIS)

Fewo, S I; Kenfack-Jiotsa, A; Kofane, T C

2006-01-01

With the help of the one-dimensional quintic complex Ginzburg-Landau equation (CGLE) as perturbations of the nonlinear Schroedinger equation (NLSE), we derive the equations of motion of pulse parameters called collective variables (CVs), of a pulse propagating in dispersion-managed (DM) fibre optic links. The equations obtained are investigated numerically in order to view the evolution of pulse parameters along the propagation distance, and also to analyse effects of initial amplitude and width on the propagating pulse. Nonlinear gain is shown to be beneficial in stabilizing DM solitons. A fully numerical simulation of the one-dimensional quintic CGLE as perturbations of NLSE finally tests the results of the CV theory. A good agreement is observed between both methods

Bäcklund transformation, analytic soliton solutions and numerical simulation for a (2+1)-dimensional complex Ginzburg-Landau equation in a nonlinear fiber

Science.gov (United States)

Yu, Ming-Xiao; Tian, Bo; Chai, Jun; Yin, Hui-Min; Du, Zhong

2017-10-01

In this paper, we investigate a nonlinear fiber described by a (2+1)-dimensional complex Ginzburg-Landau equation with the chromatic dispersion, optical filtering, nonlinear and linear gain. Bäcklund transformation in the bilinear form is constructed. With the modified bilinear method, analytic soliton solutions are obtained. For the soliton, the amplitude can decrease or increase when the absolute value of the nonlinear or linear gain is enlarged, and the width can be compressed or amplified when the absolute value of the chromatic dispersion or optical filtering is enhanced. We study the stability of the numerical solutions numerically by applying the increasing amplitude, embedding the white noise and adding the Gaussian pulse to the initial values based on the analytic solutions, which shows that the numerical solutions are stable, not influenced by the finite initial perturbations.

Nucleation and dynamics of vortices in type-II superconductors

International Nuclear Information System (INIS)

Balley, R.E.

1977-03-01

The one- and two-dimensional Ginzburg-Landau equations are numerically integrated in a slab geometry, which is appropriate for comparison to experimental work done on films. When two-dimensional variations become energetically favorable, a vortex is found to nucleate and move to the center of the film with the Gibbs free energy decreasing during the process. An important process by which the energy is lowered during this nucleation procedure is found to be the savings in condensation energy arising from the shrinking size of the vortex core as it moves to the center of the film. The solutions of the Ginzburg-Landau equations are used to explain anomalies observed experimentally in the tunneling characteristics of thin films of PbIn. Excellent agreement between theory and experiment is found with the Ginzburg-Landau equations correctly predicting the field at which flux would first enter the films. We then use the Clem model of an isolated vortex to model vortex nucleation and dynamics under the influence of a transport current. The entry fields predicted by the model are found to be off by almost a factor of two but have the advantage of requiring simple computer programs for their solution, while the Ginzburg-Landau solutions require substantially more numerical work

Dispersion relation and Landau damping of waves in high-energy density plasmas

International Nuclear Information System (INIS)

Zhu Jun; Ji Peiyong

2012-01-01

We present a theoretical investigation on the propagation of electromagnetic waves and electron plasma waves in high energy density plasmas using the covariant Wigner function approach. Based on the covariant Wigner function and Dirac equation, a relativistic quantum kinetic model is established to describe the physical processes in high-energy density plasmas. With the zero-temperature Fermi–Dirac distribution, the dispersion relation and Landau damping of waves containing the relativistic quantum corrected terms are derived. The relativistic quantum corrections to the dispersion relation and Landau damping are analyzed by comparing our results with those obtained in classical and non-relativistic quantum plasmas. We provide a detailed discussion on the Landau damping obtained in classical plasmas, non-relativistic Fermi plasmas and relativistic Fermi plasmas. The contributions of the Bohm potential, the Fermi statistics pressure and relativistic effects to the dispersion relation and Landau damping of waves are quantitatively calculated with real plasma parameters. (paper)

The effect of boundaries on the asymptotic wavenumber of spiral wave solutions of the complex Ginzburg–Landau equation

KAUST Repository

Aguareles, M.

2014-06-01

In this paper we consider an oscillatory medium whose dynamics are modeled by the complex Ginzburg-Landau equation. In particular, we focus on n-armed spiral wave solutions of the complex Ginzburg-Landau equation in a disk of radius d with homogeneous Neumann boundary conditions. It is well-known that such solutions exist for small enough values of the twist parameter q and large enough values of d. We investigate the effect of boundaries on the rotational frequency of the spirals, which is an unknown of the problem uniquely determined by the parameters d and q. We show that there is a threshold in the parameter space where the effect of the boundary on the rotational frequency switches from being algebraic to exponentially weak. We use the method of matched asymptotic expansions to obtain explicit expressions for the asymptotic wavenumber as a function of the twist parameter and the domain size for small values of q. © 2014 Elsevier B.V. All rights reserved.

Fermion-induced quantum critical points.

Science.gov (United States)

Li, Zi-Xiang; Jiang, Yi-Fan; Jian, Shao-Kai; Yao, Hong

2017-08-22

A unified theory of quantum critical points beyond the conventional Landau-Ginzburg-Wilson paradigm remains unknown. According to Landau cubic criterion, phase transitions should be first-order when cubic terms of order parameters are allowed by symmetry in the Landau-Ginzburg free energy. Here, from renormalization group analysis, we show that second-order quantum phase transitions can occur at such putatively first-order transitions in interacting two-dimensional Dirac semimetals. As such type of Landau-forbidden quantum critical points are induced by gapless fermions, we call them fermion-induced quantum critical points. We further introduce a microscopic model of SU(N) fermions on the honeycomb lattice featuring a transition between Dirac semimetals and Kekule valence bond solids. Remarkably, our large-scale sign-problem-free Majorana quantum Monte Carlo simulations show convincing evidences of a fermion-induced quantum critical points for N = 2, 3, 4, 5 and 6, consistent with the renormalization group analysis. We finally discuss possible experimental realizations of the fermion-induced quantum critical points in graphene and graphene-like materials.Quantum phase transitions are governed by Landau-Ginzburg theory and the exceptions are rare. Here, Li et al. propose a type of Landau-forbidden quantum critical points induced by gapless fermions in two-dimensional Dirac semimetals.

On Landau damping

KAUST Repository

Mouhot, Clément

2011-09-01

Going beyond the linearized study has been a longstanding problem in the theory of Landau damping. In this paper we establish exponential Landau damping in analytic regularity. The damping phenomenon is reinterpreted in terms of transfer of regularity between kinetic and spatial variables, rather than exchanges of energy; phase mixing is the driving mechanism. The analysis involves new families of analytic norms, measuring regularity by comparison with solutions of the free transport equation; new functional inequalities; a control of non-linear echoes; sharp "deflection" estimates; and a Newton approximation scheme. Our results hold for any potential no more singular than Coulomb or Newton interaction; the limit cases are included with specific technical effort. As a side result, the stability of homogeneous equilibria of the non-linear Vlasov equation is established under sharp assumptions. We point out the strong analogy with the KAM theory, and discuss physical implications. Finally, we extend these results to some Gevrey (non-analytic) distribution functions. © 2011 Institut Mittag-Leffler.

Spinor bose gases in cubic optical lattice

International Nuclear Information System (INIS)

Mobarak, Mohamed Saidan Sayed Mohamed

2014-01-01

In recent years the quantum simulation of condensed-matter physics problems has resulted from exciting experimental progress in the realm of ultracold atoms and molecules in optical lattices. In this thesis we analyze theoretically a spinor Bose gas loaded into a three-dimensional cubic optical lattice. In order to account for different superfluid phases of spin-1 bosons with a linear Zeeman effect, we work out a Ginzburg-Landau theory for the underlying spin-1 Bose-Hubbard model. To this end we add artificial symmetry-breaking currents to the spin-1 Bose-Hubbard Hamiltonian in order to break the global U (1) symmetry. With this we determine a diagrammatic expansion of the grand-canonical free energy up to fourth order in the symmetry-breaking currents and up to the leading non-trivial order in the hopping strength which is of first order. As a cross-check we demonstrate that the resulting grand-canonical free energy allows to recover the mean-field theory. Applying a Legendre transformation to the grand-canonical free energy, where the symmetry-breaking currents are transformed to order parameters, we obtain the effective Ginzburg-Landau action. With this we calculate in detail at zero temperature the Mott insulator-superfluid quantum phase boundary as well as condensate and particle number density in the superfluid phase. We find that both mean-field and Ginzburg-Landau theory yield the same quantum phase transition between the Mott insulator and superfluid phases, but the range of validity of the mean-field theory turns out to be smaller than that of the Ginzburg-Landau theory. Due to this finding we expect that the Ginzburg-Landau theory gives better results for the superfluid phase and, thus, we restrict ourselves to extremize only the effective Ginzburg-Landau action with respect to the order parameters. Without external magnetic field the superfluid phase is a polar (ferromagnetic) state for anti-ferromagnetic (ferromagnetic) interactions, i.e. only the

The Landau-Lifshitz equation describes the Ising spin correlation function in the free-fermion model

CERN Document Server

Rutkevich, S B

1998-01-01

We consider time and space dependence of the Ising spin correlation function in a continuous one-dimensional free-fermion model. By the Ising spin we imply the 'sign' variable, which takes alternating +-1 values in adjacent domains bounded by domain walls (fermionic world paths). The two-point correlation function is expressed in terms of the solution of the Cauchy problem for a nonlinear partial differential equation, which is proved to be equivalent to the exactly solvable Landau-Lifshitz equation. A new zero-curvature representation for this equation is presented. In turn, the initial condition for the Cauchy problem is given by the solution of a nonlinear ordinary differential equation, which has also been derived. In the Ising limit the above-mentioned partial and ordinary differential equations reduce to the sine-Gordon and Painleve III equations, respectively. (author)

Martensitic phase transformations in Ni–Ti-based shape memory alloys: The Landau theory

International Nuclear Information System (INIS)

Shchyglo, Oleg; Salman, Umut; Finel, Alphonse

2012-01-01

We present a simple Landau free energy functional for cubic-to-orthorhombic and cubic-to-monoclinic martensitic phase transformations. The functional is derived following group–subgroup relations between different martensitic phases – tetragonal, trigonal, orthorhombic and monoclinic – in order to fully capture the symmetry properties of the free energy of the austenite and martensite phases. The derived free energy functional is fitted to the elastic and thermodynamic properties of NiTi and NiTiCu shape memory alloys which exhibit cubic-to-monoclinic and cubic-to-orthorhombic martensitic phase transformations, respectively.

Energy spread in SLC linac with Landau damping

International Nuclear Information System (INIS)

Seeman, J.

1984-01-01

The possibility of using Landau damping to reduce the growth of the beam size due to transverse wake fields has been known for some time. Recently K. Bane has calculated the effects of Landau damping for the SLC. The energy spread is then slowly removed so that at the end of the linac it has returned to the SLC specification of less than +0.5%. The purpose of the energy spread is to reduce the resonant driving of the tail of the bunch by the head. In this note the expected energy spreads within the beam are tabulated at various positions along the linac for use by those people designing momentum dependent equipment and for those interested in Landau damping

Estimating the Partition Function Zeros by Using the Wang-Landau Monte Carlo Algorithm

Energy Technology Data Exchange (ETDEWEB)

Kim, Seung-Yeon [Korea National University of Transportation, Chungju (Korea, Republic of)

2017-03-15

The concept of the partition function zeros is one of the most efficient methods for investigating the phase transitions and the critical phenomena in various physical systems. Estimating the partition function zeros requires information on the density of states Ω(E) as a function of the energy E. Currently, the Wang-Landau Monte Carlo algorithm is one of the best methods for calculating Ω(E). The partition function zeros in the complex temperature plane of the Ising model on an L × L square lattice (L = 10 ∼ 80) with a periodic boundary condition have been estimated by using the Wang-Landau Monte Carlo algorithm. The efficiency of the Wang-Landau Monte Carlo algorithm and the accuracies of the partition function zeros have been evaluated for three different, 5%, 10%, and 20%, flatness criteria for the histogram H(E).

Well-posedness for one-dimensional anisotropic Cahn-Hilliard and Allen-Cahn systems

Directory of Open Access Journals (Sweden)

Ahmad Makki

2015-01-01

Full Text Available Our aim is to prove the existence and uniqueness of solutions for one-dimensional Cahn-Hilliard and Allen-Cahn type equations based on a modification of the Ginzburg-Landau free energy proposed in [8]. In particular, the free energy contains an additional term called Willmore regularization and takes into account strong anisotropy effects.

The cubic-quintic-septic complex Ginzburg-Landau equation formulation of optical pulse propagation in 3D doped Kerr media with higher-order dispersions

Science.gov (United States)

Djoko, Martin; Kofane, T. C.

2018-06-01

We investigate the propagation characteristics and stabilization of generalized-Gaussian pulse in highly nonlinear homogeneous media with higher-order dispersion terms. The optical pulse propagation has been modeled by the higher-order (3+1)-dimensional cubic-quintic-septic complex Ginzburg-Landau [(3+1)D CQS-CGL] equation. We have used the variational method to find a set of differential equations characterizing the variation of the pulse parameters in fiber optic-links. The variational equations we obtained have been integrated numerically by the means of the fourth-order Runge-Kutta (RK4) method, which also allows us to investigate the evolution of the generalized-Gaussian beam and the pulse evolution along an optical doped fiber. Then, we have solved the original nonlinear (3+1)D CQS-CGL equation with the split-step Fourier method (SSFM), and compare the results with those obtained, using the variational approach. A good agreement between analytical and numerical methods is observed. The evolution of the generalized-Gaussian beam has shown oscillatory propagation, and bell-shaped dissipative optical bullets have been obtained under certain parameter values in both anomalous and normal chromatic dispersion regimes. Using the natural control parameter of the solution as it evolves, named the total energy Q, our numerical simulations reveal the existence of 3D stable vortex dissipative light bullets, 3D stable spatiotemporal optical soliton, stationary and pulsating optical bullets, depending on the used initial input condition (symmetric or elliptic).

Field-theoretical description of itinerant spin glasses

International Nuclear Information System (INIS)

Kolley, E.; Kolley, W.

1986-01-01

By means of functional integral technique at T 0 the disordered Hubbard model is bosonized, resulting in an effective action of the Ginzburg-Landau type. The quenched-averaged free energy of the itinerant spin glass is calculated by using the replica trick and Bogolyubov's variational principle. The spinglass order parameter and the local magnetic moment fulfil a system of self-consistent equations in the presence of spatial fluctuations. (author)

Crystalline liquids: the blue phases

Science.gov (United States)

Wright, David C.; Mermin, N. David

1989-04-01

The blue phases of cholesteric liquid crystals are liquids that exhibit orientational order characterized by crystallographic space-group symmetries. We present here a pedagogical introduction to the current understanding of the equilibrium structure of these phases accompanied by a general overview of major experimental results. Using the Ginzburg-Landau free energy appropriate to the system, we first discuss in detail the character and stability of the usual helical phase of cholesterics, showing that for certain parameter ranges the helical phase is unstable to the appearance of one or more blue phases. The two principal models for the blue phases are two limiting cases of the Ginzburg-Landau theory. We explore each limit and conclude with some general considerations of defects in both models and an exact minimization of the free energy in a curved three-dimensional space.

Landau-Ginzburg description of anomalous properties of novel room temperature multiferroics Pb(Fe{sub 1/2}Ta{sub 1/2}){sub x}(Zr{sub 0.53}Ti{sub 0.47}){sub 1-x}O{sub 3} and Pb(Fe{sub 1/2}Nb{sub 1/2}){sub x}(Zr{sub 0.53}Ti{sub 0.47}){sub 1−x}O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Glinchuk, Maya D.; Eliseev, Eugene A. [Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, Krjijanovskogo 3, 03142 Kyiv (Ukraine); Morozovska, Anna N., E-mail: anna.n.morozovska@gmail.com [Institute of Physics, National Academy of Sciences of Ukraine, 46, pr. Nauky, 03028 Kyiv (Ukraine)

2016-01-14

Landau-Ginzburg thermodynamic formalism is used for the description of the anomalous ferroelectric, ferromagnetic, and magnetoelectric properties of Pb(Fe{sub 1/2}Ta{sub 1/2}){sub x}(Zr{sub 0.53}Ti{sub 0.47}){sub 1−x}O{sub 3} and Pb(Fe{sub 1/2}Nb{sub 1/2}){sub x}(Zr{sub 0.53}Ti{sub 0.47}){sub 1−x}O{sub 3} micro-ceramics. We calculated temperature, composition, and external field dependences of ferroelectric, ferromagnetic, and antiferromagnetic phases transition temperatures, remanent polarization, magnetization, hysteresis loops, dielectric permittivity, and magnetoelectric coupling. Special attention was paid to the comparison of developed theory with experiments. It appeared possible to describe adequately main experimental results including a reasonable agreement between the shape of calculated and measured hysteresis loops and remnant polarization. Since Landau-Ginzburg thermodynamic formalism appertains to single domain properties of a ferroic, we did not aim to describe quantitatively the coercive field under the presence of realistic poly-domain switching. Information about linear and nonlinear magnetoelectric coupling coefficients was extracted from the experimental data. From the fitting of experimental data with theoretical formula, we obtained the composition dependence of Curie-Weiss constant that is known to be inversely proportional to harmonic (linear) dielectric stiffness, as well as the strong nonlinear dependence of anharmonic parameters in free energy. Keeping in mind the essential influence of these parameters on multiferroic properties, the obtained results open the way to govern practically all the material properties with the help of suitable composition choice. A forecast of the strong enough influence of antiferrodistortive order parameter on the transition temperatures and so on the phase diagrams and properties of multiferroics are made on the basis of the developed theory.

Ferroelectric behavior of a lead titanate nanosphere due to depolarization fields and mechanical stresses

Energy Technology Data Exchange (ETDEWEB)

Andrade Landeta, J.; Lascano, I.

2017-07-01

A theorical model has been developed based on the theory of Ginzburg-Landau-Devonshire to study and predict the effects the decreasing of size particle in a nanosphere of PbTiO3 subjected to the action of depolarization fields and mechanical stress. It was considered that the nanosphere is surrounded by a layer of space charges on its surface, and containing 180° domains generated by minimizing free energy of depolarization. Energy density of depolarization, wall domain and electro-elastic energy have been incorporated into the free energy of the theory Ginzburg-Landau-Devonshire. Free energy minimization was performed to determine the spontaneous polarization and transition temperature system. These results show that the transition temperature for nanosphere is substantially smaller than the corresponding bulk material. Also, it has been obtained that the stability of the ferroelectric phase of nanosphere is favored for configurations with a large number of 180° domains, with the decreasing of thickness space charge layer, and the application of tensile stress and decreases with compressive stress. (Author)

Symmetry of Uniaxial Global Landau--de Gennes Minimizers in the Theory of Nematic Liquid Crystals

KAUST Repository

Henao, Duvan; Majumdar, Apala

2012-01-01

We extend the recent radial symmetry results by Pisante [J. Funct. Anal., 260 (2011), pp. 892-905] and Millot and Pisante [J. Eur. Math. Soc. (JEMS), 12 (2010), pp. 1069- 1096] (who show that the equivariant solutions are the only entire solutions of the three-dimensional Ginzburg-Landau equations in superconductivity theory) to the Landau-de Gennes framework in the theory of nematic liquid crystals. In the low temperature limit, we obtain a characterization of global Landau-de Gennes minimizers, in the restricted class of uniaxial tensors, in terms of the well-known radial-hedgehog solution. We use this characterization to prove that global Landau-de Gennes minimizers cannot be purely uniaxial for sufficiently low temperatures. Copyright © by SIAM.

Application of free energy expansions to mesoscopic dynamics of copolymer melts using a Gaussian chain molecular model

NARCIS (Netherlands)

Maurits, N.M; Fraaije, J.G E M

1997-01-01

The present paper deals with some mathematical aspects of generalized time-dependent Ginzburg-Landau theories for the numerical simulation of mesoscale phase separation kinetics of copolymer melts. We shortly discuss the underlying theory and introduce an expansion of the external potential, to be

Criticality and novel quantum liquid phases in Ginzburg-Landau theories with compact and non-compact gauge fields

Energy Technology Data Exchange (ETDEWEB)

Smiseth, Jo

2005-07-01

The critical properties of three-dimensional U(1)-symmetric lattice gauge theories have been studied. The models apply to various physical systems such as insulating phases of strongly correlated electron systems as well as superconducting and superfluid states of liquid metallic hydrogen under extreme pressures. The thesis contains an introductory part and a collection of research papers of which seven are published works and one is submitted for publication. The outline of this thesis is as follows. In Chapter 2 the theory of phase transitions is discussed with emphasis on continuous phase transitions, critical phenomena and phase transitions in gauge theories. In the next chapter the phases of the abelian Higgs model are presented, and the critical phenomena are discussed. Furthermore, the multicomponent Ginzburg-Landau theory and the applications to liquid metallic hydrogen are presented. Chapter 4 contains an overview of the Monte Carlo integration scheme, including the Metropolis algorithm, error estimates, and re weighting techniques. This chapter is followed by the papers I-VIII. Paper I: Criticality in the (2+1)-Dimensional Compact Higgs Model and Fractionalized Insulators. Paper II: Phase structure of (2+1)-dimensional compact lattice gauge theories and the transition from Mott insulator to fractionalized insulator. Paper III: Compact U(1) gauge theories in 2+1 dimensions and the physics of low dimensional insulating materials. Paper IV: Phase structure of Abelian Chern-Simons gauge theories. Paper V: Critical Properties of the N-Color London Model. Paper VI: Field- and temperature induced topological phase transitions in the three-dimensional N-component London superconductor. Paper VII: Vortex Sublattice Melting in a Two-Component Superconductor. Paper VIII: Observation of a metallic superfluid in a numerical experiment (ml)

Mean Field Theory, Ginzburg Criterion, and Marginal Dimensionality of Phase-Transitions

DEFF Research Database (Denmark)

Als-Nielsen, Jens Aage; Birgenau, R. J.

1977-01-01

By applying a real space version of the Ginzburg criterion, the role of fluctuations and thence the self‐consistency of mean field theory are assessed in a simple fashion for a variety of phase transitions. It is shown that in using this approach the concept of ’’marginal dimensionality’’ emerges...... in a natural way. For example, it is shown that for many homogeneous structural transformations the marginal dimensionality is two, so that mean field theory will be valid for real three‐dimensional systems. It is suggested that this simple self‐consistent approach to Landau theory should be incorporated...

Parallel solution of the time-dependent Ginzburg-Landau equations and other experiences using BlockComm-Chameleon and PCN on the IBM SP, Intel iPSC/860, and clusters of workstations

International Nuclear Information System (INIS)

Coskun, E.

1995-09-01

Time-dependent Ginzburg-Landau (TDGL) equations are considered for modeling a thin-film finite size superconductor placed under magnetic field. The problem then leads to the use of so-called natural boundary conditions. Computational domain is partitioned into subdomains and bond variables are used in obtaining the corresponding discrete system of equations. An efficient time-differencing method based on the Forward Euler method is developed. Finally, a variable strength magnetic field resulting in a vortex motion in Type II High T c superconducting films is introduced. The authors tackled the problem using two different state-of-the-art parallel computing tools: BlockComm/Chameleon and PCN. They had access to two high-performance distributed memory supercomputers: the Intel iPSC/860 and IBM SP1. They also tested the codes using, as a parallel computing environment, a cluster of Sun Sparc workstations

Toward the M(F)--Theory Embedding of Realistic Free-Fermion Models

CERN Document Server

Berglund, P; Faraggi, A E; Nanopoulos, Dimitri V; Qiu, Z; Berglund, Per; Ellis, John; Faraggi, Alon E.; Qiu, Zongan

1998-01-01

We construct a Landau-Ginzburg model with the same data and symmetries as a $Z_2\\times Z_2$ orbifold that corresponds to a class of realistic free-fermion models. Within the class of interest, we show that this orbifolding connects between different $Z_2\\times Z_2$ orbifold models and commutes with the mirror symmetry. Our work suggests that duality symmetries previously discussed in the context of specific $M$ and $F$ theory compactifications may be extended to the special $Z_2\\times Z_2$ orbifold that characterizes realistic free-fermion models.

Dynamics of inhomogeneous chiral condensates

Science.gov (United States)

Carlomagno, Juan Pablo; Krein, Gastão; Kroff, Daniel; Peixoto, Thiago

2018-01-01

We study the dynamics of the formation of inhomogeneous chirally broken phases in the final stages of a heavy-ion collision, with particular interest on the time scales involved in the formation process. The study is conducted within the framework of a Ginzburg-Landau time evolution, driven by a free energy functional motivated by the Nambu-Jona-Lasinio model. Expansion of the medium is modeled by one-dimensional Bjorken flow and its effect on the formation of inhomogeneous condensates is investigated. We also use a free energy functional from a nonlocal Nambu-Jona-Lasinio model which predicts metastable phases that lead to long-lived inhomogeneous condensates before reaching an equilibrium phase with homogeneous condensates.

Modeling of nonlinear responses for reciprocal transducers involving polarization switching

DEFF Research Database (Denmark)

Willatzen, Morten; Wang, Linxiang

2007-01-01

Nonlinearities and hysteresis effects in a reciprocal PZT transducer are examined by use of a dynamical mathematical model on the basis of phase-transition theory. In particular, we consider the perovskite piezoelectric ceramic in which the polarization process in the material can be modeled...... by Landau theory for the first-order phase transformation, in which each polarization state is associated with a minimum of the Landau free-energy function. Nonlinear constitutive laws are obtained by using thermodynamical equilibrium conditions, and hysteretic behavior of the material can be modeled...... intrinsically. The time-dependent Ginzburg-Landau theory is used in the parameter identification involving hysteresis effects. We use the Chebyshev collocation method in the numerical simulations. The elastic field is assumed to be coupled linearly with other fields, and the nonlinearity is in the E-D coupling...

Lower critical field of an anisotropic type-II superconductor

International Nuclear Information System (INIS)

Klemm, R.A.; Clem, J.R.

1980-01-01

We consider the Ginzburg-Landau free energy of the anisotropic mass form in the presence of a magnetic field of arbitrary fixed direction. It is shown that the free energy may be transformed into the isotropic Ginsburg-Landau form with a kappa that depends upon the direction of the magnetic induction B relative to the crystal lattice. The lower critical field H/sub c/1 is then found for arbitrary direction of B. For highly anisotropic crystals the angular dependence of H/sub c/1 can exhibit a discontinuity or a cusp. The special case of a crystal with uniaxial symmetry is considered in detail

Gamma-stability and vortex motion in type II superconductors

Energy Technology Data Exchange (ETDEWEB)

Kurzke, Matthias; Spirn, Daniel

2009-07-15

We consider a time-dependent Ginzburg-Landau equation for superconductors with a strictly complex relaxation parameter, and derive motion laws for the vortices in the case of a finite number of vortices in a bounded magnetic field. The motion laws correspond to the flux-flow Hall effect. As our main tool, we develop a quantitative {gamma}-stability result relating the Ginzburg-Landau energy to the renormalized energy. (orig.)

Gamma-stability and vortex motion in type II superconductors

International Nuclear Information System (INIS)

Kurzke, Matthias; Spirn, Daniel

2009-01-01

We consider a time-dependent Ginzburg-Landau equation for superconductors with a strictly complex relaxation parameter, and derive motion laws for the vortices in the case of a finite number of vortices in a bounded magnetic field. The motion laws correspond to the flux-flow Hall effect. As our main tool, we develop a quantitative Γ-stability result relating the Ginzburg-Landau energy to the renormalized energy. (orig.)

Spatiotemporal structure of pulsating solitons in the cubic-quintic Ginzburg-Landau equation: A novel variational formulation

Energy Technology Data Exchange (ETDEWEB)

Mancas, Stefan C. [Department of Mathematics, University of Central Florida, Orlando, FL 32816-1364 (United States)], E-mail: smancas@mail.ucf.edu; Roy Choudhury, S. [Department of Mathematics, University of Central Florida, Orlando, FL 32816-1364 (United States)], E-mail: choudhur@longwood.cs.ucf.edu

2009-04-15

Comprehensive numerical simulations (reviewed in Dissipative Solitons, Akhmediev and Ankiewicz (Eds.), Springer, Berlin, 2005) of pulse solutions of the cubic-quintic Ginzburg-Landau Equation (CGLE), a canonical equation governing the weakly nonlinear behavior of dissipative systems in a wide variety of disciplines, reveal various intriguing and entirely novel classes of solutions. In particular, there are five new classes of pulse or solitary waves solutions, viz. pulsating, creeping, snake, erupting, and chaotic solitons. In contrast to the regular solitary waves investigated in numerous integrable and non-integrable systems over the last three decades, these dissipative solitons are not stationary in time. Rather, they are spatially confined pulse-type structures whose envelopes exhibit complicated temporal dynamics. The numerical simulations also reveal very interesting bifurcations sequences of these pulses as the parameters of the CGLE are varied. In this paper, we address the issues of central interest in the area, i.e., the conditions for the occurrence of the five categories of dissipative solitons, as well the dependence of both their shape and their stability on the various parameters of the CGLE, viz. the nonlinearity, dispersion, linear and nonlinear gain, loss and spectral filtering parameters. Our predictions on the variation of the soliton amplitudes, widths and periods with the CGLE parameters agree with simulation results. First, we elucidate the Hopf bifurcation mechanism responsible for the various pulsating solitary waves, as well as its absence in Hamiltonian and integrable systems where such structures are absent. Next, we develop and discuss a variational formalism within which to explore the various classes of dissipative solitons. Given the complex dynamics of the various dissipative solutions, this formulation is, of necessity, significantly generalized over all earlier approaches in several crucial ways. Firstly, the starting formulation

Regeneralized London free energy for high-Tc vortex lattices

Directory of Open Access Journals (Sweden)

M. A. Shahzamanian

2006-09-01

Full Text Available   The London free-energy is regeneralized by the Ginsburg-Landau free-energy density in the presence of both d and s order parameters. We have shown that the strength of the s-d coupling, makes an important rule to determine the form of the lattice vortex. Appearance of the ratios of the coherence length to penetration depth in the higher order corrections of the free-energy density will truncate these corrections for even large values of .

Analytic solutions to a family of boundary-value problems for Ginsburg-Landau type equations

Science.gov (United States)

Vassilev, V. M.; Dantchev, D. M.; Djondjorov, P. A.

2017-10-01

We consider a two-parameter family of nonlinear ordinary differential equations describing the behavior of a critical thermodynamic system, e.g., a binary liquid mixture, of film geometry within the framework of the Ginzburg-Landau theory by means of the order-parameter. We focus on the case in which the confining surfaces are strongly adsorbing but prefer different components of the mixture, i.e., the order-parameter tends to infinity at one of the boundaries and to minus infinity at the other one. We assume that the boundaries of the system are positioned at a finite distance from each other and give analytic solutions to the corresponding boundary-value problems in terms of Weierstrass and Jacobi elliptic functions.

Transport of energy and momentum due to spatial Landau damping and growth of electrostatic waves

International Nuclear Information System (INIS)

Lacina, J.

1994-01-01

It is shown that Landau damping in space (LDS), occuring for time-periodic electrostatic waves, does not lead to any deposition of energy in plasmas. A steady-state balance and a steady-state transport of energy, momentum and particles take place both for damped and growing waves. Because of the phase interference of coherent free and forced particle oscillations, the oscillatory energy of particles increases in the direction of wave propagation; the time-averaged flow of plasma kinetic energy being constant in space for these waves, the LDS must take place for a Maxwellian plasma in order to compensate for the growth of the particle oscillatory energy in space. (Author)

Ginzburg regime and its effects on topological defect formation

International Nuclear Information System (INIS)

Bettencourt, Luis M. A.; Antunes, Nuno D.; Zurek, W. H.

2000-01-01

The Ginzburg temperature has historically been proposed as the energy scale of formation of topological defects at a second order symmetry breaking phase transition. More recently alternative proposals which compute the time of formation of defects from the critical dynamics of the system have been gaining both theoretical and experimental support. We investigate, using a canonical model for string formation, how these two pictures compare. In particular we show that prolonged exposure of a critical field configuration to the Ginzburg regime results in no substantial suppression of the final density of defects formed. These results eliminate the Ginzburg regime as a possible cause of erasure of vortex lines in the recent 4 He pressure quench experiments. (c) 2000 The American Physical Society

ENERGY DISSIPATION AND LANDAU DAMPING IN TWO- AND THREE-DIMENSIONAL PLASMA TURBULENCE

Energy Technology Data Exchange (ETDEWEB)

Li, Tak Chu; Howes, Gregory G. [Department of Physics and Astronomy, University of Iowa, Iowa City, IA 52242 (United States); Klein, Kristopher G. [Space Science Center, University of New Hampshire, Durham, NH 03824 (United States); TenBarge, Jason M. [IREAP, University of Maryland, College Park, MD 20742 (United States)

2016-12-01

Plasma turbulence is ubiquitous in space and astrophysical plasmas, playing an important role in plasma energization, but the physical mechanisms leading to dissipation of the turbulent energy remain to be definitively identified. Kinetic simulations in two dimensions (2D) have been extensively used to study the dissipation process. How the limitation to 2D affects energy dissipation remains unclear. This work provides a model of comparison between two- and three-dimensional (3D) plasma turbulence using gyrokinetic simulations; it also explores the dynamics of distribution functions during the dissipation process. It is found that both 2D and 3D nonlinear gyrokinetic simulations of a low-beta plasma generate electron velocity-space structures with the same characteristics as that of the linear Landau damping of Alfvén waves in a 3D linear simulation. The continual occurrence of the velocity-space structures throughout the turbulence simulations suggests that the action of Landau damping may be responsible for the turbulent energy transfer to electrons in both 2D and 3D, and makes possible the subsequent irreversible heating of the plasma through collisional smoothing of the velocity-space fluctuations. Although, in the 2D case where variation along the equilibrium magnetic field is absent, it may be expected that Landau damping is not possible, a common trigonometric factor appears in the 2D resonant denominator, leaving the resonance condition unchanged from the 3D case. The evolution of the 2D and 3D cases is qualitatively similar. However, quantitatively, the nonlinear energy cascade and subsequent dissipation is significantly slower in the 2D case.

The energy density of a Landau damped plasma wave

NARCIS (Netherlands)

Best, R. W. B.

1999-01-01

In this paper some theories about the energy of a Landau damped plasma wave are discussed and new initial conditions are proposed. Analysis of a wave packet, rather than an infinite wave, gives a clear picture of the energy transport from field to particles. Initial conditions are found which excite

Non-radially symmetric solutions to the Ginzburg-Landau equation

CERN Document Server

Ovchinnikov, Yu N

2000-01-01

We study an atom with finitely many energy levels in contact with a heat bath consisting of photons (black body radiation) at a temperature $T >0$. The dynamics of this system is described by a Liouville operator, or thermal Hamiltonian, which is the sum of an atomic Liouville operator, of a Liouville operator describing the dynamics of a free, massless Bose field, and a local operator describing the interactions between the atom and the heat bath. We show that an arbitrary initial state which is normal with respect to the equilibrium state of the uncoupled system at temperature $T$ converges to an equilibrium state of the coupled system at the same temperature, as time tends to $+ \\infty$

Matrix factorizations and homological mirror symmetry on the torus

International Nuclear Information System (INIS)

Knapp, Johanna; Omer, Harun

2007-01-01

We consider matrix factorizations and homological mirror symmetry on the torus T 2 using a Landau-Ginzburg description. We identify the basic matrix factorizations of the Landau-Ginzburg superpotential and compute the full spectrum taking into account the explicit dependence on bulk and boundary moduli. We verify homological mirror symmetry by comparing three-point functions in the A-model and the B-model

Disorder effect on flux lattice melting near Hc2

International Nuclear Information System (INIS)

Fujita, Ayumi; Hikami, Shinobu; Larkin, A.I.

1991-01-01

The perturbation series of the three dimensional free energy of Ginzburg-Landau model in a random potential is investigated for a strong magnetic field. The shift of the melting temperature of vortex lattice caused by the white noise random potential is evaluated. The crossover between the ''vortex-glass'' phase and the ''gauge-glass'' phase is discussed for a strong disorder. (orig.)

Analyses, algorithms, and computations for models of high-temperature superconductivity. Final technical report

International Nuclear Information System (INIS)

Gunzburger, M.D.; Peterson, J.S.

1998-01-01

Under the sponsorship of the Department of Energy, the authors have achieved significant progress in the modeling, analysis, and computation of superconducting phenomena. Their work has focused on mezoscale models as typified by the celebrated ginzburg-Landau equations; these models are intermediate between the microscopic models (that can be used to understand the basic structure of superconductors and of the atomic and sub-atomic behavior of these materials) and the macroscale, or homogenized, models (that can be of use for the design of devices). The models the authors have considered include a time dependent Ginzburg-Landau model, a variable thickness thin film model, models for high values of the Ginzburg-Landau parameter, models that account for normal inclusions and fluctuations and Josephson effects, and the anisotropic Ginzburg-Landau and Lawrence-Doniach models for layered superconductors, including those with high critical temperatures. In each case, they have developed or refined the models, derived rigorous mathematical results that enhance the state of understanding of the models and their solutions, and developed, analyzed, and implemented finite element algorithms for the approximate solution of the model equations

Zero-field magnetic response functions in Landau levels

Science.gov (United States)

Gao, Yang; Niu, Qian

2017-07-01

We present a fresh perspective on the Landau level quantization rule; that is, by successively including zero-field magnetic response functions at zero temperature, such as zero-field magnetization and susceptibility, the Onsager’s rule can be corrected order by order. Such a perspective is further reinterpreted as a quantization of the semiclassical electron density in solids. Our theory not only reproduces Onsager’s rule at zeroth order and the Berry phase and magnetic moment correction at first order but also explains the nature of higher-order corrections in a universal way. In applications, those higher-order corrections are expected to curve the linear relation between the level index and the inverse of the magnetic field, as already observed in experiments. Our theory then provides a way to extract the correct value of Berry phase as well as the magnetic susceptibility at zero temperature from Landau level fan diagrams in experiments. Moreover, it can be used theoretically to calculate Landau levels up to second-order accuracy for realistic models.

The Bogoliubov free energy functional II

DEFF Research Database (Denmark)

Napiórkowski, Marcin; Reuvers, Robin; Solovej, Jan Philip

2018-01-01

We analyse the canonical Bogoliubov free energy functional at low temperatures in the dilute limit. We prove existence of a first order phase transition and, in the limit $a_0\\to a$, we determine the critical temperature to be $T_{\\rm{c}}=T_{\\rm{fc}}(1+1.49(\\rho^{1/3}a))$ to leading order. Here, $T......_{\\rm{fc}}$ is the critical temperature of the free Bose gas, $\\rho$ is the density of the gas, $a$ is the scattering length of the pair-interaction potential $V$, and $a_0=(8\\pi)^{-1}\\widehat{V}(0)$ its first order approximation. We also prove asymptotic expansions for the free energy. In particular, we recover the Lee...

Magneto-transport in the zero-energy Landau level of single-layer and bilayer graphene

International Nuclear Information System (INIS)

Zeitler, U; Giesbers, A J M; Elferen, H J van; Kurganova, E V; McCollam, A; Maan, J C

2011-01-01

We present recent low-temperature magnetotransport experiments on single-layer and bilayer graphene in high magnetic field up to 33 T. In single layer graphene the fourfold degeneracy of the zero-energy Landau level is lifted by a gap opening at filling factor ν = 0. In bilayer graphene, we observe a partial lifting of the degeneracy of the eightfold degenerate zero-energy Landau level.

Magnetic Scaling in Superconductors

International Nuclear Information System (INIS)

Lawrie, I.D.

1997-01-01

The Ginzburg-Landau-Wilson superconductor in a magnetic field B is considered in the approximation that magnetic-field fluctuations are neglected. A formulation of perturbation theory is presented in which multiloop calculations fully retaining all Landau levels are tractable. A 2-loop calculation shows that, near the zero-field critical point, the singular part of the free energy scales as F sing ∼ |t| 2-α F(B|t| -2ν ), where ν is the coherence-length exponent emdash a result which has hitherto been assumed on purely dimensional grounds. copyright 1997 The American Physical Society

Analyses, algorithms, and computations for models of high-temperature superconductivity. Final report

International Nuclear Information System (INIS)

Du, Q.

1997-01-01

Under the sponsorship of the Department of Energy, the authors have achieved significant progress in the modeling, analysis, and computation of superconducting phenomena. The work so far has focused on mezoscale models as typified by the celebrated Ginzburg-Landau equations; these models are intermediate between the microscopic models (that can be used to understand the basic structure of superconductors and of the atomic and sub-atomic behavior of these materials) and the macroscale, or homogenized, models (that can be of use for the design of devices). The models they have considered include a time dependent Ginzburg-Landau model, a variable thickness thin film model, models for high values of the Ginzburg-landau parameter, models that account for normal inclusions and fluctuations and Josephson effects, and the anisotropic ginzburg-Landau and Lawrence-Doniach models for layered superconductors, including those with high critical temperatures. In each case, they have developed or refined the models, derived rigorous mathematical results that enhance the state of understanding of the models and their solutions, and developed, analyzed, and implemented finite element algorithms for the approximate solution of the model equations

From free energy to expected energy: Improving energy-based value function approximation in reinforcement learning.

Science.gov (United States)

Elfwing, Stefan; Uchibe, Eiji; Doya, Kenji

2016-12-01

Free-energy based reinforcement learning (FERL) was proposed for learning in high-dimensional state and action spaces. However, the FERL method does only really work well with binary, or close to binary, state input, where the number of active states is fewer than the number of non-active states. In the FERL method, the value function is approximated by the negative free energy of a restricted Boltzmann machine (RBM). In our earlier study, we demonstrated that the performance and the robustness of the FERL method can be improved by scaling the free energy by a constant that is related to the size of network. In this study, we propose that RBM function approximation can be further improved by approximating the value function by the negative expected energy (EERL), instead of the negative free energy, as well as being able to handle continuous state input. We validate our proposed method by demonstrating that EERL: (1) outperforms FERL, as well as standard neural network and linear function approximation, for three versions of a gridworld task with high-dimensional image state input; (2) achieves new state-of-the-art results in stochastic SZ-Tetris in both model-free and model-based learning settings; and (3) significantly outperforms FERL and standard neural network function approximation for a robot navigation task with raw and noisy RGB images as state input and a large number of actions. Copyright © 2016 The Author(s). Published by Elsevier Ltd.. All rights reserved.

Impact of Many-Body Effects on Landau Levels in Graphene

Science.gov (United States)

Sonntag, J.; Reichardt, S.; Wirtz, L.; Beschoten, B.; Katsnelson, M. I.; Libisch, F.; Stampfer, C.

2018-05-01

We present magneto-Raman spectroscopy measurements on suspended graphene to investigate the charge carrier density-dependent electron-electron interaction in the presence of Landau levels. Utilizing gate-tunable magnetophonon resonances, we extract the charge carrier density dependence of the Landau level transition energies and the associated effective Fermi velocity vF. In contrast to the logarithmic divergence of vF at zero magnetic field, we find a piecewise linear scaling of vF as a function of the charge carrier density, due to a magnetic-field-induced suppression of the long-range Coulomb interaction. We quantitatively confirm our experimental findings by performing tight-binding calculations on the level of the Hartree-Fock approximation, which also allow us to estimate an excitonic binding energy of ≈6 meV contained in the experimentally extracted Landau level transitions energies.

Knot soliton in DNA and geometric structure of its free-energy density.

Science.gov (United States)

Wang, Ying; Shi, Xuguang

2018-03-01

In general, the geometric structure of DNA is characterized using an elastic rod model. The Landau model provides us a new theory to study the geometric structure of DNA. By using the decomposition of the arc unit in the helical axis of DNA, we find that the free-energy density of DNA is similar to the free-energy density of a two-condensate superconductor. By using the φ-mapping topological current theory, the torus knot soliton hidden in DNA is demonstrated. We show the relation between the geometric structure and free-energy density of DNA and the Frenet equations in differential geometry theory are considered. Therefore, the free-energy density of DNA can be expressed by the curvature and torsion of the helical axis.

Analysis of the Bogoliubov free energy functional

DEFF Research Database (Denmark)

Reuvers, Robin

In this thesis, we analyse a variational reformulation of the Bogoliubov approximation that is used to describe weakly-interacting translationally-invariant Bose gases. For the resulting model, the `Bogoliubov free energy functional', we demonstrate existence of minimizers as well as the presence...

Validity of the lowest-Landau-level approximation for rotating Bose gases

International Nuclear Information System (INIS)

Morris, Alexis G.; Feder, David L.

2006-01-01

The energy spectrum for an ultracold rotating Bose gas in a harmonic trap is calculated exactly for small systems, allowing the atoms to occupy several Landau levels. Two vortexlike states and two strongly correlated states (the Pfaffian and Laughlin) are considered in detail. In particular, their critical rotation frequencies and energy gaps are determined as a function of particle number, interaction strength, and the number of Landau levels occupied (up to three). For the vortexlike states, the lowest-Landau-level (LLL) approximation is justified only if the interaction strength decreases with the number of particles; nevertheless, the constant of proportionality increases rapidly with the angular momentum per particle. For the strongly correlated states, however, the interaction strength can increase with particle number without violating the LLL condition. The results suggest that, in large systems, the Pfaffian and Laughlin states might be stabilized at rotation frequencies below the centrifugal limit for sufficiently large interaction strengths, with energy gaps a significant fraction of the trap energy

Free energy functionals for polarization fluctuations: Pekar factor revisited.

Science.gov (United States)

Dinpajooh, Mohammadhasan; Newton, Marshall D; Matyushov, Dmitry V

2017-02-14

The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. Within dielectric continuum models, this separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom. The main qualitative prediction of Pekar's perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parameter accounting for the solvent effect on electron transfer. Here, we study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from the simulations is numerically close to the Pekar factor. However, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found in the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).

Free energy functionals for polarization fluctuations: Pekar factor revisited

International Nuclear Information System (INIS)

Dinpajooh, Mohammadhasan; Newton, Marshall D.; Matyushov, Dmitry V.

2017-01-01

The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. This separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom, within dielectric continuum models. The main qualitative prediction of Pekar’s perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parameter accounting for the solvent effect on electron transfer. We study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from the simulations is numerically close to the Pekar factor. But, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found in the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).

Fluctuations in the limit cycle state and the problem of phase chaos

International Nuclear Information System (INIS)

Szepfalusy, P.; Tel, T.

1981-11-01

Gaussian fluctuations and first order fluctuation corrections to the deterministic solution are investigated in the framework of the generalized Ginzburg-Landau type equation of motion exhibiting a hard mode transition leading a to homogeneous limit cycle state. It is shown that the stationary distribution of the fluctuations around the limit cycle is not of the form of a Ginzburg-Landau functional. The nature of the further instability in the post bifurcational region, resulting in the phase chaos in the deterministic problem, is found to be qualitatively changed by the presence of noise. (author)

Crystallography of three-flavor quark matter

International Nuclear Information System (INIS)

Rajagopal, Krishna; Sharma, Rishi

2006-01-01

We analyze and compare candidate crystal structures for the crystalline color superconducting phase that may arise in cold, dense but not asymptotically dense, three-flavor quark matter. We determine the gap parameter Δ and free energy Ω(Δ) for many possible crystal structures within a Ginzburg-Landau approximation, evaluating Ω(Δ) to order Δ 6 . In contrast to the two-flavor case, we find a positive Δ 6 term and hence an Ω(Δ) that is bounded from below for all the structures that we analyze. This means that we are able to evaluate Δ and Ω as a function of the splitting between Fermi surfaces for all the structures we consider. We find two structures with particularly robust values of Δ and the condensation energy, within a factor of 2 of those for the CFL phase which is known to characterize QCD at asymptotically large densities. The robustness of these phases results in their being favored over wide ranges of density. However, it also implies that the Ginzburg-Landau approximation is not quantitatively reliable. We develop qualitative insights into what makes a crystal structure favorable, and use these to winnow the possibilities. The two structures that we find to be most favorable are both built from condensates with face-centered cubic symmetry: in one case, the and condensates are separately face-centered cubic; in the other case and combined make up a face-centered cube

Split of the superconducting transition and magnetism in UPt3

International Nuclear Information System (INIS)

Marikhin, V.G.

1992-01-01

A possible reason for splitting the superconducting phase transition in UPt 3 is discussed. The strong coupling of conduction electrons with uranium atom magnetic moments may be such a cause. The given assertion is based on the simple model described by the two-component order parameter φ Ginzburg -Landau functional. The Ginzburg - Landau functional without coupling has the whole symmetry D 6h of hexagonal crystal. Due to the presence of uranium atom magnetic moments M the symmetry is broken locally with the coupling term γ|Mφ| 2 in the Ginzburg - Landau functional. Averaging over the vector M configurations with the involment of the finite correlation radius a is performed. The inequality a 6h . This means that in a real crystal the hexagonal symmetry is not broken at the scales larger ξ. In the framework of the given theory the expressions for the specific heat jumps and equation combining the upper critical field H c2 and the phase transition split ΔT c with the pressure variation are obtained. The difficulties connencted with the small experimental magnitude of uranium atom magnetic moments are discussed

Patterning in systems driven by nonlocal external forces.

Science.gov (United States)

Luneville, L; Mallick, K; Pontikis, V; Simeone, D

2016-11-01

This work focuses on systems displaying domain patterns resulting from competing external and internal dynamics. To this end, we introduce a Lyapunov functional capable of describing the steady states of systems subject to external forces, by adding nonlocal terms to the Landau Ginzburg free energy of the system. Thereby, we extend the existing methodology treating long-range order interactions, to the case of external nonlocal forces. By studying the quadratic term of this Lyapunov functional, we compute the phase diagram in the temperature versus external field and we determine all possible modulated phases (domain patterns) as a function of the external forces and the temperature. Finally, we investigate patterning in chemical reactive mixtures and binary mixtures under irradiation, and we show that the last case opens the path toward micro-structural engineering of materials.

Coupled s-wave and d-wave states in the heavy-fermion superconductor U/sub 1-//sub x/Th/sub x/Be/sub 13/

International Nuclear Information System (INIS)

Langner, A.; Sahu, D.; George, T.F.

1988-01-01

In the heavy-fermion superconductor U/sub 1-//sub x/Th/sub x/Be/sub 13/, superconducting states coexist for thorium concentrations 0 ≤ x ≤ 0.06. Assuming s-wave and d-wave symmetries for these states, we derive a Ginzburg-Landau free-energy expression which couples s- and d-wave states and is rotationally invariant, in contrast to the free-energy expression proposed by P. Kumar and P. Woelfle [Phys. Rev. Lett. 59, 1954 (1987)]. We discuss in detail the consequences that follow from our free-energy relation. In particular, we predict that in the above system there are two eigenfrequencies associated with the dynamics of phase oscillations (internal Josephson effect) which are characteristic of the s-wave and d-wave states

Avoidance of a Landau pole by flat contributions in QED

Energy Technology Data Exchange (ETDEWEB)

Klaczynski, Lutz, E-mail: lutz.klaczynski@gmx.de [Department of Physics, Humboldt University Berlin, 12489 Berlin (Germany); Kreimer, Dirk, E-mail: kreimer@mathematik.hu-berlin.de [Alexander von Humboldt Chair in Mathematical Physics, Humboldt University, Berlin 12489 (Germany)

2014-05-15

We consider massless Quantum Electrodynamics in the momentum scheme and carry forward an approach based on Dyson–Schwinger equations to approximate both the β-function and the renormalized photon self-energy (Yeats, 2011). Starting from the Callan–Symanzik equation, we derive a renormalization group (RG) recursion identity which implies a non-linear ODE for the anomalous dimension and extract a sufficient but not necessary criterion for the existence of a Landau pole. This criterion implies a necessary condition for QED to have no such pole. Solving the differential equation exactly for a toy model case, we integrate the corresponding RG equation for the running coupling and find that even though the β-function entails a Landau pole it exhibits a flat contribution capable of decreasing its growth, in other cases possibly to the extent that such a pole is avoided altogether. Finally, by applying the recursion identity, we compute the photon propagator and investigate the effect of flat contributions on both spacelike and timelike photons. -- Highlights: •We present an approach to approximate both the β-function and the photon self-energy. •We find a sufficient criterion for the self-energy to entail the existence of a Landau pole. •We study non-perturbative ‘flat’ contributions that emerge within the context of our approach. •We discuss a toy model and how it is affected by flat contributions.

Biaxiality of chiral liquid crystals

International Nuclear Information System (INIS)

Longa, L.; Trebin, H.R.; Fink, W.

1993-10-01

Using extended deGennes-Ginzburg-Landau free energy expansion in terms of the anisotropic part of the dielectric tensor field Q αβ (χ) a connection between the phase biaxiality and the stability of various chiral liquid crystalline phases is studied. In particular the cholesteric phase, the cubic Blue Phases and the phases characterized by an icosahedral space group symmetry are analysed in detail. Also a general question concerning the applicability of the mean-field approximation in describing the chiral phases is addressed. By an extensive study of the model over a wide range of the parameters a new class of phenomena, not present in the original deGennes-Ginzburg-Landau model, has been found. These include: a) re-entrant phase transitions between the cholesteric and the cubic blue phases and b) the existence of distinct phases of the same symmetry but of different biaxialities. The phase biaxiality serves here as an extra scalar order parameter. Furthermore, it has been shown that due to the presence of the competing bulk terms in the free energy, the stable phases may acquire a large degree of biaxiality, also in liquid crystalline materials composed of effectively uniaxial molecules. A study of icosahedral space group symmetries gives a partial answer to the question as to whether an icosahedral quasicrystalline liquid could be stabilized in liquid crystals. Although, in general, the stability of icosahedral structures could be enhanced by the extra terms in the free energy no absolutely stable icosahedral phase has been found. (author). 16 refs, 3 figs, 1 tab

Dynamical mean-field theory and weakly non-linear analysis for the phase separation of active Brownian particles

Energy Technology Data Exchange (ETDEWEB)

Speck, Thomas [Institut für Physik, Johannes Gutenberg-Universität Mainz, Staudingerweg 7-9, 55128 Mainz (Germany); Menzel, Andreas M.; Bialké, Julian; Löwen, Hartmut [Institut für Theoretische Physik II, Heinrich-Heine-Universität, D-40225 Düsseldorf (Germany)

2015-06-14

Recently, we have derived an effective Cahn-Hilliard equation for the phase separation dynamics of active Brownian particles by performing a weakly non-linear analysis of the effective hydrodynamic equations for density and polarization [Speck et al., Phys. Rev. Lett. 112, 218304 (2014)]. Here, we develop and explore this strategy in more detail and show explicitly how to get to such a large-scale, mean-field description starting from the microscopic dynamics. The effective free energy emerging from this approach has the form of a conventional Ginzburg-Landau function. On the coarsest scale, our results thus agree with the mapping of active phase separation onto that of passive fluids with attractive interactions through a global effective free energy (motility-induced phase transition). Particular attention is paid to the square-gradient term necessary for the phase separation kinetics. We finally discuss results from numerical simulations corroborating the analytical results.

Superconductivity

CERN Document Server

Poole, Charles P; Farach, Horacio A

1995-01-01

Superconductivity covers the nature of the phenomenon of superconductivity. The book discusses the fundamental principles of superconductivity; the essential features of the superconducting state-the phenomena of zero resistance and perfect diamagnetism; and the properties of the various classes of superconductors, including the organics, the buckministerfullerenes, and the precursors to the cuprates. The text also describes superconductivity from the viewpoint of thermodynamics and provides expressions for the free energy; the Ginzburg-Landau and BCS theories; and the structures of the high

Splitting of the zero-energy Landau level and universal dissipative conductivity at critical points in disordered graphene.

Science.gov (United States)

Ortmann, Frank; Roche, Stephan

2013-02-22

We report on robust features of the longitudinal conductivity (σ(xx)) of the graphene zero-energy Landau level in the presence of disorder and varying magnetic fields. By mixing an Anderson disorder potential with a low density of sublattice impurities, the transition from metallic to insulating states is theoretically explored as a function of Landau-level splitting, using highly efficient real-space methods to compute the Kubo conductivities (both σ(xx) and Hall σ(xy)). As long as valley degeneracy is maintained, the obtained critical conductivity σ(xx) =/~ 1.4e(2)/h is robust upon an increase in disorder (by almost 1 order of magnitude) and magnetic fields ranging from about 2 to 200 T. When the sublattice symmetry is broken, σ(xx) eventually vanishes at the Dirac point owing to localization effects, whereas the critical conductivities of pseudospin-split states (dictating the width of a σ(xy) = 0 plateau) change to σ(xx) =/~ e(2)/h, regardless of the splitting strength, superimposed disorder, or magnetic strength. These findings point towards the nondissipative nature of the quantum Hall effect in disordered graphene in the presence of Landau level splitting.

Solliton-like order parameter distributions in the critical region

Directory of Open Access Journals (Sweden)

A.V.Babich

2006-01-01

Full Text Available Some exact one-component order parameter distributions for the Michelson thermodynamic potential are obtained. The phase transition of second kind in Ginzburg-Landau type model is investigated. The exact partial distribution of the order parameter in the form of Jakobi elliptic function is obtained. The energy of this distribution is lower at some temperature interval than for the best known models.

Investigation of Landau level spin reversal in (110) oriented p-type GaAs quantum wells

Energy Technology Data Exchange (ETDEWEB)

Isik, Nebile

2009-09-01

In this thesis, the Landau level crossing or anticrossing of hole levels has been investigated in p-type GaAs 400 Aa wide quantum wells. In magneto-transport measurements, this is evidenced with the presence of an anomalous peak in the longitudinal resistance measurements at {nu}=1. In the transversal resistance measurements, no signature of this anomalous peak is observed. By increasing the hole density in the quantum well by applying a top gate voltage, the position of the anomalous peak shifts to higher magnetic fields. At very high densities, anomalous peak disappears. By applying a back gate voltage, the electric field in the quantum well is tuned. A consequence is that the geometry of the quantum well is tuned from square to triangular. The anomalous peak position is shown to depend also on the back gate voltage applied. Temperature dependence of the peak height is consistent with thermal activation energy gap ({delta}/2= 135 {mu}eV). The activation energy gap as a function of the magnetic field has a parabolic like dependence, with the minimum of 135 {mu}eV at 4 T. The peak magnitude is observed to decrease with increasing temperature. An additional peak is observed at {nu}=2 minimum. This additional peak at {nu}=2 might be due to the higher Landau level crossing. The p-type quantum wells have been investigated by photoluminescence spectroscopy, as a function of the magnetic field. The polarization of the emitted light has been analyzed in order to distinguish between the transitions related to spin of electron {+-} 1/2 and spin of hole -+ 3/2. The transition energies of the lowest electron Landau levels with spin {+-} 1/2 and hole Landau levels with spin -+ 3/2 versus magnetic field show crossing at 4 T. The heavy hole Landau levels with spins {+-} 3/2 are obtained by the substraction of transition energies from the sum of lowest electron Landau level energy and the energy gap of GaAs. The heavy hole Landau levels show a crossing at 4 T. However, due to the

Quantized levitation states of superconducting multiple-ring systems

International Nuclear Information System (INIS)

Haley, S.B.; Fink, H.J.

1996-01-01

The quantized levitation, trapped, and suspension states of a magnetic microsphere held in equilibrium by two fixed superconducting (SC) microrings are calculated by minimizing the free energy of the system. Each state is a discrete function of two independent fluxoid quantum numbers of the rings. When the radii of the SC rings are of the same order as the Ginzburg-Landau coherence length ξ(T), the system exhibits a small set of gravity and temperature-dependent levels. The levels of a weakly magnetized particle are sensitive functions of the gravitational field, indicating potential application as an accelerometer, and for trapping small magnetic particles in outer space or on Earth. The equilibrium states of a SC ring levitated by another SC ring are also calculated. copyright 1996 The American Physical Society

Critical initial-slip scaling for the noisy complex Ginzburg–Landau equation

International Nuclear Information System (INIS)

Liu, Weigang; Täuber, Uwe C

2016-01-01

We employ the perturbative fieldtheoretic renormalization group method to investigate the universal critical behavior near the continuous non-equilibrium phase transition in the complex Ginzburg–Landau equation with additive white noise. This stochastic partial differential describes a remarkably wide range of physical systems: coupled nonlinear oscillators subject to external noise near a Hopf bifurcation instability; spontaneous structure formation in non-equilibrium systems, e.g., in cyclically competing populations; and driven-dissipative Bose–Einstein condensation, realized in open systems on the interface of quantum optics and many-body physics, such as cold atomic gases and exciton-polaritons in pumped semiconductor quantum wells in optical cavities. Our starting point is a noisy, dissipative Gross–Pitaevski or nonlinear Schrödinger equation, or equivalently purely relaxational kinetics originating from a complex-valued Landau–Ginzburg functional, which generalizes the standard equilibrium model A critical dynamics of a non-conserved complex order parameter field. We study the universal critical behavior of this system in the early stages of its relaxation from a Gaussian-weighted fully randomized initial state. In this critical aging regime, time translation invariance is broken, and the dynamics is characterized by the stationary static and dynamic critical exponents, as well as an independent ‘initial-slip’ exponent. We show that to first order in the dimensional expansion about the upper critical dimension, this initial-slip exponent in the complex Ginzburg–Landau equation is identical to its equilibrium model A counterpart. We furthermore employ the renormalization group flow equations as well as construct a suitable complex spherical model extension to argue that this conclusion likely remains true to all orders in the perturbation expansion. (paper)

Effect of elastic compliances and higher order Landau coefficients on the phase diagram of single domain epitaxial Pb(Zr,TiO3 (PZT thin films

Directory of Open Access Journals (Sweden)

M. Mtebwa

2014-12-01

Full Text Available We report the qualitative study of the influence of both elastic compliances and higher order terms of Landau free energy potential on the phase diagram of Pb(Zr0.5Ti0.5O3 thin films by using a single domain Landau theory. Although the impact of elastic compliances and higher order terms of the Landau free energy potential on the phase diagram of ferroelectric thin films are known, the sensitivity of the phase diagram of PZT thin film on these parameters have not been reported. It is demonstrated that, while values of elastic compliances affect the positions of the phase boundaries including phase transition temperature of the cubic phase; higher order terms can potentially introduce an a1a2-phase previously predicted in PbTiO3 phase diagram.

Equilibrium properties of proximity effect

International Nuclear Information System (INIS)

Esteve, D.; Pothier, H.; Gueron, S.; Birge, N.O.; Devoret, M.

1996-01-01

The proximity effect in diffusive normal-superconducting (NS) nano-structures is described by the Usadel equations for the electron pair correlations. We show that these equations obey a variational principle with a potential which generalizes the Ginzburg-Landau energy functional. We discuss simple examples of NS circuits using this formalism. In order to test the theoretical predictions of the Usadel equations, we have measured the density of states as a function of energy on a long N wire in contact with a S wire at one end, at different distances from the NS interface. (authors)

Free energy landscapes of electron transfer system in dipolar environment below and above the rotational freezing temperature

International Nuclear Information System (INIS)

Suzuki, Yohichi; Tanimura, Yoshitaka

2007-01-01

Electron transfer reaction in a polar solvent is modeled by a solute dipole surrounded by dipolar molecules with simple rotational dynamics posted on the three-dimensional distorted lattice sites. The interaction energy between the solute and solvent dipoles as a reaction coordinate is adopted and free energy landscapes are calculated by generating all possible states for a 26 dipolar system and by employing Wang-Landau sampling algorithm for a 92 dipolar system. For temperatures higher than the energy scale of dipole-dipole interactions, the free energy landscapes for the small reaction coordinate region have quadratic shape as predicted by Marcus [Rev. Mod. Phys. 65, 599 (1993)] whereas for the large reaction coordinate region, the landscapes exhibit a nonquadratic shape. When the temperature drops, small notched structures appear on the free energy profiles because of the frustrated interactions among dipoles. The formation of notched structure is analyzed with statistical approach and it is shown that the amplitude of notched structure depend upon the segment size of the reaction coordinate and is characterized by the interaction energy among the dipoles. Using simulated free energy landscapes, the authors calculate the reaction rates as a function of the energy gap for various temperatures. At high temperature, the reactions rates follow a bell shaped (inverted parabolic) energy gap law in the small energy gap regions, while it becomes steeper than the parabolic shape in a large energy gap regions due to the nonquadratic shape of the free energy landscape. The peak position of parabola also changes as the function of temperature. At low temperature, the profile of the reaction rates is no longer smooth because of the many local minima of the free energy landscape

Vortex-like and string-like solutions for the 2+1 dimensional SU(2) Yang-Mills theory with the Chern-Simons term

International Nuclear Information System (INIS)

Teh, R.

1989-07-01

Vortex-like and string-like solutions of 2+1 Dim. SU(2) YM theory with the Chern-Simons term are discussed. Two ansatze are constructed which yield respectively analytic Bessel function solutions and elliptic function solutions. The Bessel function solutions are vortex-like and tend to the same vacuum state as the Ginzburg-Landau vortex solution at large ρ. The Jacobi elliptic function solutions are string-like, have finite energy and magnetic flux concentrated along a line in the x 1 - x 2 plane. (author). 18 refs

Generalized Landau-Lifshitz-Gilbert equation for uniformly magnetized bodies

Energy Technology Data Exchange (ETDEWEB)

Serpico, C. [Dipartimento di Ingegneria Elettrica, Universita di Napoli ' FedericoII' , Via Claudio 21, I-80125 Naples (Italy)], E-mail: serpico@unina.it; Mayergoyz, I.D. [ECE Department and UMIACS, University of Maryland, College Park, MD 20742 (United States); Bertotti, G. [Istituto Nazionale di Ricerca Metrologica (INRiM), I-10135 Turin (Italy); D' Aquino, M. [Dipartimento per le Tecnologie, University of Napoli ' Parthenope' , I-80133 Naples (Italy); Bonin, R. [Istituto Nazionale di Ricerca Metrologica (INRiM), I-10135 Turin (Italy)

2008-02-01

We consider generalized Landau-Lifshitz-Gilbert (LLG) deterministic dynamics in uniformly magnetized bodies. The dynamics take place on the unit sphere {sigma}, and are characterized by a vector field v tangential to {sigma}. By using Helmholtz decomposition on {sigma}, it is proven that v is uniquely defined by two potentials {chi} and {psi}. Potential {chi} can be identified with the free energy of the system, while {psi} describes non-conservative interactions of the system with the environment. The presence of {psi} modifies the usual energy balance of LLG dynamics. Instead of purely relaxation dynamics we may have steady injection of energy through non-conservative interactions. The implications of the new form of the energy balance are discussed in detail.

Ostwald ripening theory. Final Report, 3 October 1984-1 June 1986

International Nuclear Information System (INIS)

Baird, J.K.

1986-06-01

The Ostwald-ripening theory is deduced and discussed starting from the fundamental principles such as Ising model concept, Mayer cluster expansion, Langer condensation point theory, Ginzburg-Landau free energy, Stillinger cutoff-pair potential, LSW-theory and MLSW-theory. Mathematical intricacies are reduced to an understanding version. Comparison of selected works, from 1949 to 1984, on solution of diffusion equation with and without sink/sources term(s) is presented. Kahlweit's 1980 work and Marqusee-Ross' 1954 work are more emphasized. Odijk and Lekkerkerker's 1985 work on rodlike macromolecules is introduced in order to simulate interested investigators

Atomic disorder and superconductivity in A15 materials

International Nuclear Information System (INIS)

Faehnle, M.

1982-01-01

The validity of a modified linear chain model for describing the properties of A15 superconductors is discussed in detail. Using this simple model for the electronic density of states, we calculate the critical temperature and the Fermi level as functions of atomic disorder with concentration c within the framework of the BCS theory. Thereby the experimentally observed saturation effect of the critical temperature is reproduced by taking into account the contribution of three-dimensional electronic states. The microscopic versions of the Ginzburg-Landau equations for systems with a strongly varying electronic density of states and a strongly varying electron velocity are derived for clean and dirty superconductors in order to calculate the Ginzburg-Landau parameter, the coherence length, the penetration depth, and the upper critical field as functions of atomic disorder. It is shown that these quantities depend strongly on the values inserted for the mean free electron path 1(c). Good agreement between theoretical and experimental results is obtained by an appropriate choice of 1(c). In contrast, the thermodynamic critical field is nearly independent of 1(c). In all cases we derive a depression of the pinning forces and the critical current densities with increasing atomic disorder in good agreement with the experiments

Dynamics of vortices in superconductors

International Nuclear Information System (INIS)

Weinan, E.

1992-01-01

We study the dynamics of vortices in type-II superconductors from the point of view of time-dependent Ginzburg-Landau equations. We outline a proof of existence, uniqueness and regularity of strong solutions for these equations. We then derive reduced systems of ODEs governing the motion of the vortices in the asymptotic limit of large Ginzburg-Landau parameter

Equilibrium properties of proximity effect

Energy Technology Data Exchange (ETDEWEB)

Esteve, D.; Pothier, H.; Gueron, S.; Birge, N.O.; Devoret, M.

1996-12-31

The proximity effect in diffusive normal-superconducting (NS) nano-structures is described by the Usadel equations for the electron pair correlations. We show that these equations obey a variational principle with a potential which generalizes the Ginzburg-Landau energy functional. We discuss simple examples of NS circuits using this formalism. In order to test the theoretical predictions of the Usadel equations, we have measured the density of states as a function of energy on a long N wire in contact with a S wire at one end, at different distances from the NS interface. (authors). 12 refs.

Parametric Landau damping of space charge modes

Energy Technology Data Exchange (ETDEWEB)

Macridin, Alexandru [Fermilab; Burov, Alexey [Fermilab; Stern, Eric [Fermilab; Amundson, James [Fermilab; Spentzouris, Panagiotis [Fermilab

2016-09-23

Landau damping is the mechanism of plasma and beam stabilization; it arises through energy transfer from collective modes to the incoherent motion of resonant particles. Normally this resonance requires the resonant particle's frequency to match the collective mode frequency. We have identified an important new damping mechanism, parametric Landau damping, which is driven by the modulation of the mode-particle interaction. This opens new possibilities for stability control through manipulation of both particle and mode-particle coupling spectra. We demonstrate the existence of parametric Landau damping in a simulation of transverse coherent modes of bunched accelerator beams with space charge.

V L Ginzburg and the Atomic Project

Science.gov (United States)

Ritus, V. I.

2017-04-01

This paper is an expanded version of the author's talk presented at a session of the Physical Sciences Division of the Russian Academy of Sciences celebrating the 100th anniversary of V L Ginzburg's birth. Tamm's Special group was organized in June 1948 with the task to clarify the feasibility of constructing a hydrogen bomb. Having verified and confirmed the calculated results by Ya B Zel'dovich's group, the Tamm group proposed an original hydrogen bomb design, which, following A D Sakharov's idea, consisted of an atomic bomb surrounded spherically by nested uranium and heavy water layers: the heavy water, on V L Ginzburg's suggestion, was replaced by higher-calorie solid lithium-6 deuteride. The ionization implosion of deuterium by uranium, both heated by the atomic bomb's explosion, greatly accelerates nuclear reactions in deuterium and uranium and increases the total energy release. Upon their approval by the KB-11 top researchers, the Atomic project leadership, and the government, the proposals were implemented in the RDS-6s bomb, which was successfully tested on 12 August 1953. Lithium-6 deuteride turned out to be a convenient multipurpose nuclear fuel. The paper highlights the recognition by the leaders of the country and of the Atomic project that fundamental science plays a crucial role in promoting scientists' ideas and proposals.

Nonequilibrium theory of dirty, current-carrying superconductors: Phase-slip oscillators in narrow filaments near T/sub c/

International Nuclear Information System (INIS)

Watts-Tobin, R.J.; Kraehenbuehl, Y.; Kramer, L.

1981-01-01

General equations for the dynamic behavior of dirty superconductors in the Ginzburg--Landau regime Vertical BarT/sub c/-TVertical Bar<< T/sub c/ are derived from microscopic theory. In the immediate vicinity of T/sub c/ a local equilibrium approximation leads to a simple generalized time-dependent Ginzburg--Landau equation. The oscillatory phase-slip solutions presented previously are discussed in greater detail

MD 2197: Experimental studies of Landau damping by means of Beam Transfer Function measurements in the presence of beam-beam interactions and diffusive mechanisms

CERN Document Server

Tambasco, Claudia; Barranco Garcia, Javier; Boccardi, Andrea; Buffat, Xavier; Bruce, Roderik; Gasior, Marek; Hostettler, Michi; Lefevre, Thibaut; Louro Alves, Diogo Miguel; Metral, Elias; Persson, Tobias Hakan Bjorn; Pieloni, Tatiana; Pojer, Mirko; Salvachua Ferrando, Belen Maria; Solfaroli Camillocci, Matteo; CERN. Geneva. ATS Department

2018-01-01

Beam Transfer Function (BTF) measurements are direct measurement of the stability diagrams that define the stability threshold of coherent beam instabilities driven by the impedance. At the LHC, some coherent instabilities at flat top energy are still not fully understood and the BTF measurements provide a method to experimentally probe the Landau damping of the proton beams. The BTF response is sensitive to the particle distribution changes and contain information about the transverse tune spread in the beams. The BTF system has been installed in the LHC in the 2015 in order to investigate the Landau damping at different stages of the operational cycle, machine configurations (different octupole currents, crossing angles, tunes etc...) and in presence of beam-beam excited resonances that may provoke diffusion mechanisms with a consequence change of Landau damping. Past MDs showed some difficulties for the reconstruction of the stability diagram from BTF measurements and several improvements on the BTF sy...

Simplified Model of Nonlinear Landau Damping

International Nuclear Information System (INIS)

Yampolsky, N.A.; Fisch, N.J.

2009-01-01

The nonlinear interaction of a plasma wave with resonant electrons results in a plateau in the electron distribution function close to the phase velocity of the plasma wave. As a result, Landau damping of the plasma wave vanishes and the resonant frequency of the plasma wave downshifts. However, this simple picture is invalid when the external driving force changes the plasma wave fast enough so that the plateau cannot be fully developed. A new model to describe amplification of the plasma wave including the saturation of Landau damping and the nonlinear frequency shift is proposed. The proposed model takes into account the change of the plasma wave amplitude and describes saturation of the Landau damping rate in terms of a single fluid equation, which simplifies the description of the inherently kinetic nature of Landau damping. A proposed fluid model, incorporating these simplifications, is verified numerically using a kinetic Vlasov code.

Computing conformational free energy differences in explicit solvent: An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points.

Science.gov (United States)

Harris, Robert C; Deng, Nanjie; Levy, Ronald M; Ishizuka, Ryosuke; Matubayasi, Nobuyuki

2017-06-05

Many biomolecules undergo conformational changes associated with allostery or ligand binding. Observing these changes in computer simulations is difficult if their timescales are long. These calculations can be accelerated by observing the transition on an auxiliary free energy surface with a simpler Hamiltonian and connecting this free energy surface to the target free energy surface with free energy calculations. Here, we show that the free energy legs of the cycle can be replaced with energy representation (ER) density functional approximations. We compute: (1) The conformational free energy changes for alanine dipeptide transitioning from the right-handed free energy basin to the left-handed basin and (2) the free energy difference between the open and closed conformations of β-cyclodextrin, a "host" molecule that serves as a model for molecular recognition in host-guest binding. β-cyclodextrin contains 147 atoms compared to 22 atoms for alanine dipeptide, making β-cyclodextrin a large molecule for which to compute solvation free energies by free energy perturbation or integration methods and the largest system for which the ER method has been compared to exact free energy methods. The ER method replaced the 28 simulations to compute each coupling free energy with two endpoint simulations, reducing the computational time for the alanine dipeptide calculation by about 70% and for the β-cyclodextrin by > 95%. The method works even when the distribution of conformations on the auxiliary free energy surface differs substantially from that on the target free energy surface, although some degree of overlap between the two surfaces is required. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Order parameters and energies of analytic and singular vortex lines in rotating 3He-A

International Nuclear Information System (INIS)

Passvogel, T.; Schopohl, N.; Warnke, M.; Tewordt, L.

1982-01-01

We present the expressions of the generalized Ginzburg-Landau (GL) theory for the free energy and the supercurrent in terms of the d vector, the magnetic field H, and operators containing the spatial gradient and the rotation Ω. These expressions are then specialized to the Anderson--Brinkman--Morel (ABM) state. We consider eight single-vortex lines of cylindrical symmetry and radius R = [2mΩ/h]/sup -1/2/: the Mermin--Ho vortex, a second analytic vortex, and six singular vortices, i.e., the orbital and radial disgyrations, the orbital and radial phase vortices, and two axial phase vortices. These eight vortex states are determined by solving the Euler--Lagrange equations whose solutions minimize the GL free energy functional. For increasing field, the core radius of the I texture of the Mermin--Ho vortex tends to a limiting value, while the core radius of the d texture goes to zero. The gap of the singular vortices behaves like r/sup α/ for r→0, where α ranges between √1/2 and √9/2. The energy of the radial disgyration becomes lower than that of the Mermin--Ho vortex for fields H> or =6.5 H* = 6.5 x 25 G (at T = 0.99 T/sub c/ and for R = 10 L* = 60 μm, or Ω = 2.9 rad/sec). For R→2xi/sub T/ (xi/sub T/ is the GL coherence length) or Ω→Ω/sub c2/ (upper critical rotation speed), the energies of the singular vortices become lower than the energies of the analytic vortices. This is in agreement with the exact result of Schopohl for a vortex lattice at Ω/sub c/2 . Finally, we calculate the correction of order (1-T/T/sub c/) to the GL gap for the axial phase vortex

Birationality and Landau-Ginzburg Models

Science.gov (United States)

Clarke, Patrick

2017-08-01

We introduce a new technique for approaching birationality questions that arise in the mirror symmetry of complete intersections in toric varieties. As an application we answer affirmatively and conclusively the question of Batyrev-Nill (Integer points in polyhedra—geometry, number theory, representation theory, algebra, optimization, statistics, volume 452 of Contemporary mathematics. American Mathematical Society, Providence, pp 35-66, 2008) about the birationality of Calabi-Yau families associated to multiple mirror nef-partitions. This completes the progress in this direction made by Li's breakthrough (Li in Adv Math 299:71-107, 2016). In the process, we obtain results in the theory of Borisov's nef-partitions (Borisov in Towards the mirror symmetry for Calabi-Yau complete intersections in Gorenstein toric Fano varieties, 1993. arXiv:alg-geom/9310001 ) and provide new insight into the geometric content of the multiple mirror phenomenon.

Revisiting the Landau fluid closure.

Science.gov (United States)

Hunana, P.; Zank, G. P.; Webb, G. M.; Adhikari, L.

2017-12-01

Advanced fluid models that are much closer to the full kinetic description than the usual magnetohydrodynamic description are a very useful tool for studying astrophysical plasmas and for interpreting solar wind observational data. The development of advanced fluid models that contain certain kinetic effects is complicated and has attracted much attention over the past years. Here we focus on fluid models that incorporate the simplest possible forms of Landau damping, derived from linear kinetic theory expanded about a leading-order (gyrotropic) bi-Maxwellian distribution function f_0, under the approximation that the perturbed distribution function f_1 is gyrotropic as well. Specifically, we focus on various Pade approximants to the usual plasma response function (and to the plasma dispersion function) and examine possibilities that lead to a closure of the linear kinetic hierarchy of fluid moments. We present re-examination of the simplest Landau fluid closures.

A new approach to the theory of Cherenkov radiation based on relativistic generalization of the Landau criterion

International Nuclear Information System (INIS)

Chefranov, S.G.

2004-01-01

Relativistic generalization of the Landau criterion is obtained which, in contrast to the classical Tamm-Frank and Ginzburg theories, determines the primary energy mechanism of emission of nonbremsstrahlung Cherenkov radiation. It is shown that Cherenkov radiation may correspond to a threshold energetically favorable conversion of the condensate (ultimately long-wavelength) elementary Bose perturbations of a medium into transverse Cherenkov photons emitted by the medium proper during its interaction with a sufficiently fast charged particle. The threshold conditions of emission are determined for a medium with an arbitrary refractive index n, including the case of isotropic plasma with n < 1 for which the classical theory of Cherenkov radiation prohibits such direct and effective nonbremsstrahlung emission of these particular transverse high-frequency electromagnetic waves. It is established that these conditions of emission agree with the data of well-known experiments on the threshold for observation of Cherenkov radiation, whereas the classical theory only corresponds to the conditions of observation of the interference maximum of this radiation. The possibility of direct effective emission of nonbremsstrahlung Cherenkov radiation, not taken into account in the classical theory, is considered for many observed astrophysical phenomena (type III solar radio bursts, particle acceleration by radiation, etc.)

Electron mean free path dependence of the critical currents and the pair-breaking limit in superconducting films

International Nuclear Information System (INIS)

Fedorov, N.; Rinderer, L.

1977-01-01

We have studied the current-induced breakdown of superconductivity in wide (100--980 μm) and thin (0.25--0.98 μm) films of tin. It is shown that the current at which the resistance of the sample begins to rise rapidly in the process of the destruction of superconductivity by a current can be fairly well associated with the theoretical value of the pair-breaking current in the Ginzburg-Landau phenomenological approach (I/sub c//sup G L/). This effect is observed over a rather wide temperature region (up to ΔTapprox.0.7 K), depending on the electron mean free path in the films. The values of the critical currents outside the above-mentioned region correlate qualitatively with those determined by inhomogeneities of the films as proposed by Larkin and Ovchinnikov

Definite evidence of the Landau-Zener transition in nucleus-nucleus collisions

International Nuclear Information System (INIS)

Imanishi, B.; Oertzen, W. von; Voit, H.

1986-05-01

It is shown that the Landau-Zener transition mechanism due to the formation of molecular orbitals of the active neutron exists in the inelastic scattering 13 C( 12 C, 12 C) 13 C* (3.086 MeV, 1/2 + ). The evidence stems from characteristic changes of the angular distributions observed as function of the incident energy. (author)

Dependence of the ferroelectric domain shape on the electric field of the microscope tip

International Nuclear Information System (INIS)

Starkov, Alexander S.; Starkov, Ivan A.

2015-01-01

A theory of an equilibrium shape of the domain formed in an electric field of a scanning force microscope (SFM) tip is proposed. We do not assume a priori that the domain has a fixed form. The shape of the domain is defined by the minimum of the free energy of the ferroelectric. This energy includes the energy of the depolarization field, the energy of the domain wall, and the energy of the interaction between the domain and the electric field of the SFM tip. The contributions of the apex and conical part of the tip are examined. Moreover, in the proposed approach, any narrow tip can be considered. The surface energy is determined on the basis of the Ginzburg-Landau-Devonshire theory and takes into account the curvature of the domain wall. The variation of the free energy with respect to the domain shape leads to an integro-differential equation, which must be solved numerically. Model results are illustrated for lithium tantalate ceramics

Phase-field modeling of isothermal quasi-incompressible multicomponent liquids

Science.gov (United States)

Tóth, Gyula I.

2016-09-01

In this paper general dynamic equations describing the time evolution of isothermal quasi-incompressible multicomponent liquids are derived in the framework of the classical Ginzburg-Landau theory of first order phase transformations. Based on the fundamental equations of continuum mechanics, a general convection-diffusion dynamics is set up first for compressible liquids. The constitutive relations for the diffusion fluxes and the capillary stress are determined in the framework of gradient theories. Next the general definition of incompressibility is given, which is taken into account in the derivation by using the Lagrange multiplier method. To validate the theory, the dynamic equations are solved numerically for the quaternary quasi-incompressible Cahn-Hilliard system. It is demonstrated that variable density (i) has no effect on equilibrium (in case of a suitably constructed free energy functional) and (ii) can influence nonequilibrium pattern formation significantly.

Domain walls of BaTiO.sub.3./sub. and PbTiO.sub.3./sub. within Ginzburg-Landau-Devonshire model

Czech Academy of Sciences Publication Activity Database

Hlinka, Jiří

2008-01-01

Roč. 375, č. 1 (2008), 132-137 ISSN 0015-0193 R&D Projects: GA ČR GA202/06/0411 Institutional research plan: CEZ:AV0Z10100520 Keywords : domain walls * Landau- Ginsburg theory * ferroelectricity * BaTiO 3 * PbTiO 3 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.562, year: 2008

(2,2) superconformal bootstrap in two dimensions

Energy Technology Data Exchange (ETDEWEB)

Lin, Ying-Hsuan [Jefferson Physical Laboratory, Harvard University, Cambridge, MA 02138 (United States); Walter Burke Institute for Theoretical Physics, California Institute of Technology, Pasadena, CA 91125 (United States); Shao, Shu-Heng [Jefferson Physical Laboratory, Harvard University, Cambridge, MA 02138 (United States); School of Natural Sciences, Institute for Advanced Study, Princeton, NJ 08540 (United States); Wang, Yifan [Center for Theoretical Physics, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Joseph Henry Laboratories, Princeton University, Princeton, NJ 08544 (United States); Yin, Xi [Jefferson Physical Laboratory, Harvard University, Cambridge, MA 02138 (United States)

2017-05-19

We find a simple relation between two-dimensional BPS N=2 superconformal blocks and bosonic Virasoro conformal blocks, which allows us to analyze the crossing equations for BPS 4-point functions in unitary (2,2) superconformal theories numerically with semidefinite programming. We constrain gaps in the non-BPS spectrum through the operator product expansion of BPS operators, in ways that depend on the moduli of exactly marginal deformations through chiral ring coefficients. In some cases, our bounds on the spectral gaps are observed to be saturated by free theories, by N=2 Liouville theory, and by certain Landau-Ginzburg models.

Landau damping due to tune spreads in betatron amplitude and momentum

International Nuclear Information System (INIS)

Lee, S.Y.; Tran, P.; Weng, W.T.

1989-01-01

Due to the large space charge transverse impedance in a low energy synchrotron, the coherent tune shift causes the Landau damping to be ineffective in damping the transverse coherent motion. We analyze the effect of Landau damping that is caused by the tune spreads of the betatron amplitude (space charge and/or octupole) and momentum. We find that the Landau damping becomes more significant in our two dimensional analysis. 5 refs

Isoscalar giant resonances and Landau parameters with density-dependent effective interactions

International Nuclear Information System (INIS)

Kohno, Michio; Ando, Kazuhiko

1979-01-01

Discussion is given on the relations between the Landau parameters and the isoscalar giant (quadrupole- and monopole-) resonance energies by using general density-dependent interactions. In the limit of infinite nuclear matter, the isoscalar giant quadrupole energy is shown to depend not only on the effective mass but also on the Landau parameter F 2 . Collective energies of the isoscalar giant resonances are calculated for 16 O and 40 Ca with four different effective interactions, G-0, B1, SII and SV, by using the scaling- and constrained Hartree-Fock-methods. It is shown that the dependence of the collective energies on the effective interactions is essentially determined by the Landau parameters. The G-0 force is found to be most successful in reproducing the giant resonance energies. Validity of the RPA-moment theorems is examined for the case of local density-dependent interactions. (author)

Matrix factorisations for rational boundary conditions by defect fusion

International Nuclear Information System (INIS)

Behr, Nicolas; Fredenhagen, Stefan

2015-01-01

A large class of two-dimensional N=(2,2) superconformal field theories can be understood as IR fixed-points of Landau-Ginzburg models. In particular, there are rational conformal field theories that also have a Landau-Ginzburg description. To understand better the relation between the structures in the rational conformal field theory and in the Landau-Ginzburg theory, we investigate how rational B-type boundary conditions are realised as matrix factorisations in the SU(3)/U(2) Grassmannian Kazama-Suzuki model. As a tool to generate the matrix factorisations we make use of a particular interface between the Kazama-Suzuki model and products of minimal models, whose fusion can be realised as a simple functor on ring modules. This allows us to formulate a proposal for all matrix factorisations corresponding to rational boundary conditions in the SU(3)/U(2) model.

Matrix factorisations for rational boundary conditions by defect fusion

Energy Technology Data Exchange (ETDEWEB)

Behr, Nicolas [Department of Mathematics, Heriot-Watt University,Riccarton, Edinburgh, EH14 4AS (United Kingdom); Maxwell Institute for Mathematical Sciences,Edinburgh (United Kingdom); Fredenhagen, Stefan [Max-Planck-Institut für Gravitationsphysik, Albert-Einstein-Institut,D-14424 Golm (Germany)

2015-05-11

A large class of two-dimensional N=(2,2) superconformal field theories can be understood as IR fixed-points of Landau-Ginzburg models. In particular, there are rational conformal field theories that also have a Landau-Ginzburg description. To understand better the relation between the structures in the rational conformal field theory and in the Landau-Ginzburg theory, we investigate how rational B-type boundary conditions are realised as matrix factorisations in the SU(3)/U(2) Grassmannian Kazama-Suzuki model. As a tool to generate the matrix factorisations we make use of a particular interface between the Kazama-Suzuki model and products of minimal models, whose fusion can be realised as a simple functor on ring modules. This allows us to formulate a proposal for all matrix factorisations corresponding to rational boundary conditions in the SU(3)/U(2) model.

The MesoDyn project : software for mesoscale chemical engineering

NARCIS (Netherlands)

Altevogt, P; Evers, OA; Fraaije, JGEM; Maurits, NM; van Vlimmeren, BAC

1999-01-01

We describe a new class of phenomenological mesoscopic models to simulate the phase separation dynamics in three dimensional complex liquids, based on dynamic density functional methods. These models are generalizations of time-dependent Ginzburg-Landau models and contain a molecular description of

Trivial constraints on orbital-free kinetic energy density functionals

Science.gov (United States)

Luo, Kai; Trickey, S. B.

2018-03-01

Approximate kinetic energy density functionals (KEDFs) are central to orbital-free density functional theory. Limitations on the spatial derivative dependencies of KEDFs have been claimed from differential virial theorems. We identify a central defect in the argument: the relationships are not true for an arbitrary density but hold only for the minimizing density and corresponding chemical potential. Contrary to the claims therefore, the relationships are not constraints and provide no independent information about the spatial derivative dependencies of approximate KEDFs. A simple argument also shows that validity for arbitrary v-representable densities is not restored by appeal to the density-potential bijection.

Information and complexity measures in the interface of a metal and a superconductor

Science.gov (United States)

Moustakidis, Ch. C.; Panos, C. P.

2018-06-01

Fisher information, Shannon information entropy and Statistical Complexity are calculated for the interface of a normal metal and a superconductor, as a function of the temperature for several materials. The order parameter Ψ (r) derived from the Ginzburg-Landau theory is used as an input together with experimental values of critical transition temperature Tc and the superconducting coherence length ξ0. Analytical expressions are obtained for information and complexity measures. Thus Tc is directly related in a simple way with disorder and complexity. An analytical relation is found of the Fisher Information with the energy profile of superconductivity i.e. the ratio of surface free energy and the bulk free energy. We verify that a simple relation holds between Shannon and Fisher information i.e. a decomposition of a global information quantity (Shannon) in terms of two local ones (Fisher information), previously derived and verified for atoms and molecules by Liu et al. Finally, we find analytical expressions for generalized information measures like the Tsallis entropy and Fisher information. We conclude that the proper value of the non-extensivity parameter q ≃ 1, in agreement with previous work using a different model, where q ≃ 1.005.

Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

Science.gov (United States)

Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.; Mundy, Chistopher J.

2017-10-01

Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for models of electrolyte solution. Here, we provide definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation and isolate the effects of charge and cavitation, comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to unphysical values for the single ion solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. This suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation.

Landau and modern physics

International Nuclear Information System (INIS)

Pokrovsky, Valery L

2009-01-01

This article describes the history of the creation and further development of Landau's famous works on phase transitions, diamagnetism of electron gas (Landau levels), and quantum transitions at a level crossing (the Landau-Zener phenomenon), and its role in modern physics. (methodological notes)

Landau damping dynamic aperture and octupole in LHC

CERN Document Server

Gareyte, Jacques; Ruggiero, F

1997-01-01

Maximization of the dynamic aperture and Landau damping of the collective instabilities are partly conflicting requirements. On the one hand, the non-linearities of the lattice must be minimized at large oscillation amplitude to guarantee the stability of the single particle motion. On the other hand, a spread of the betatron frequencies is necessary to guarantee the stability of the collective motion of bunches of particles; this requires the introduction of non-linearities effective at small amplitudes. We show in this note that the `natural' spread of betatron tunes due to the field imperfections is inadequate or Landau damping. An octupole scheme is required to provide collective stability at high energy. At low energy it may be used to find the optimum between the correction of the octupolar field imperfections and Landau damping. The solution of the stability problem taking into account the two degrees of freedom of the transverse motion allows a significant saving in octupole strength: 144 octupoles wi...

Decoherence and Landau-Damping

Energy Technology Data Exchange (ETDEWEB)

Ng, K.Y.; /Fermilab

2005-12-01

The terminologies, decoherence and Landau damping, are often used concerning the damping of a collective instability. This article revisits the difference and relation between decoherence and Landau damping. A model is given to demonstrate how Landau damping affects the rate of damping coming from decoherence.

A New time Integration Scheme for Cahn-hilliard Equations

KAUST Repository

Schaefer, R.

2015-06-01

In this paper we present a new integration scheme that can be applied to solving difficult non-stationary non-linear problems. It is obtained by a successive linearization of the Crank- Nicolson scheme, that is unconditionally stable, but requires solving non-linear equation at each time step. We applied our linearized scheme for the time integration of the challenging Cahn-Hilliard equation, modeling the phase separation in fluids. At each time step the resulting variational equation is solved using higher-order isogeometric finite element method, with B- spline basis functions. The method was implemented in the PETIGA framework interfaced via the PETSc toolkit. The GMRES iterative solver was utilized for the solution of a resulting linear system at every time step. We also apply a simple adaptivity rule, which increases the time step size when the number of GMRES iterations is lower than 30. We compared our method with a non-linear, two stage predictor-multicorrector scheme, utilizing a sophisticated step length adaptivity. We controlled the stability of our simulations by monitoring the Ginzburg-Landau free energy functional. The proposed integration scheme outperforms the two-stage competitor in terms of the execution time, at the same time having a similar evolution of the free energy functional.

A New time Integration Scheme for Cahn-hilliard Equations

KAUST Repository

Schaefer, R.; Smol-ka, M.; Dalcin, L; Paszyn'ski, M.

2015-01-01

In this paper we present a new integration scheme that can be applied to solving difficult non-stationary non-linear problems. It is obtained by a successive linearization of the Crank- Nicolson scheme, that is unconditionally stable, but requires solving non-linear equation at each time step. We applied our linearized scheme for the time integration of the challenging Cahn-Hilliard equation, modeling the phase separation in fluids. At each time step the resulting variational equation is solved using higher-order isogeometric finite element method, with B- spline basis functions. The method was implemented in the PETIGA framework interfaced via the PETSc toolkit. The GMRES iterative solver was utilized for the solution of a resulting linear system at every time step. We also apply a simple adaptivity rule, which increases the time step size when the number of GMRES iterations is lower than 30. We compared our method with a non-linear, two stage predictor-multicorrector scheme, utilizing a sophisticated step length adaptivity. We controlled the stability of our simulations by monitoring the Ginzburg-Landau free energy functional. The proposed integration scheme outperforms the two-stage competitor in terms of the execution time, at the same time having a similar evolution of the free energy functional.

Anti-levitation of Landau levels in vanishing magnetic fields

Science.gov (United States)

Pan, W.; Baldwin, K. W.; West, K. W.; Pfeiffer, L. N.; Tsui, D. C.

Soon after the discovery of the quantum Hall effects in two-dimensional electron systems, the question on the fate of the extended states in a Landau level in vanishing magnetic (B) field arose. Many theoretical models have since been proposed, and experimental results remain inconclusive. In this talk, we report experimental observation of anti-levitation behavior of Landau levels in vanishing B fields (down to as low as B 58 mT) in a high quality heterojunction insulated-gated field-effect transistor (HIGFET). We observed that, in the Landau fan diagram of electron density versus magnetic field, the positions of the magneto-resistance minima at Landau level fillings ν = 4, 5, 6 move below the ``traditional'' Landau level line to lower electron densities. This clearly differs from what was observed in the earlier experiments where in the same Landau fan plot the density moved up. Our result strongly supports the anti-levitation behavior predicted recently. Moreover, the even and odd Landau level filling states show quantitatively different behaviors in anti-levitation, suggesting that the exchange interactions, which are important at odd fillings, may play a role. SNL is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energys National Nuclear Security Administration under contract DE-AC04-94AL85000.

Possible Measurable Effects of Dark Energy in Rotating Superconductors

Directory of Open Access Journals (Sweden)

Clovis Jacinto de Matos

2009-01-01

Full Text Available We discuss recent laboratory experiments with rotating superconductors and show that three so far unexplained experimentally observed effects (anomalous acceleration signals, anomalous gyroscope signals, Cooper pair mass excess can be physically explained in terms of a possible interaction of dark energy with Cooper pairs. Our approach is based on a Ginzburg-Landau-like model of electromagnetic dark energy, where gravitationally active photons obtain mass in the superconductor. We show that this model can account simultaneously for the anomalous acceleration and anomalous gravitomagnetic fields around rotating superconductors measured by Tajmar et al. and for the anomalous Cooper pair mass in superconductive Niobium, measured by Cabrera and Tate. It is argued that these three different physical effects are ultimately different experimental manifestations of the simultaneous spontaneous breaking of gauge invariance and of the principle of general covariance in superconductive materials.

Magnetic field effects on the quantum wire energy spectrum and Green's function

International Nuclear Information System (INIS)

Morgenstern Horing, Norman J.

2010-01-01

We analyze the energy spectrum and propagation of electrons in a quantum wire on a 2D host medium in a normal magnetic field, representing the wire by a 1D Dirac delta function potential which would support just a single subband state in the absence of the magnetic field. The associated Schroedinger Green's function for the quantum wire is derived in closed form in terms of known functions and the Landau quantized subband energy spectrum is examined.

Real-time relaxation and kinetics in hot scalar QED: Landau damping

International Nuclear Information System (INIS)

Boyanovsky, D.; Vega, H.J. de; Holman, R.; Kumar, S.P.; Pisarski, R.D.

1998-01-01

The real time evolution of non-equilibrium expectation values with soft length scales ∼k -1 >(eT) -1 is solved in hot scalar electrodynamics, with a view towards understanding relaxational phenomena in the QGP and the electroweak plasma. We find that the gauge invariant non-equilibrium expectation values relax via power laws to asymptotic amplitudes that are determined by the quasiparticle poles. The long time relaxational dynamics and relevant time scales are determined by the behavior of the retarded self-energy not at the small frequencies, but at the Landau damping thresholds. This explains the presence of power laws and not of exponential decay. In the process we rederive the HTL effective action using non-equilibrium field theory. Furthermore we obtain the influence functional, the Langevin equation and the fluctuation-dissipation theorem for the soft modes, identifying the correlators that emerge in the classical limit. We show that a Markovian approximation fails to describe the dynamics both at short and long times. We find that the distribution function for soft quasiparticles relaxes with a power law through Landau damping. We also introduce a novel kinetic approach that goes beyond the standard Boltzmann equation by incorporating off-shell processes and find that the distribution function for soft quasiparticles relaxes with a power law through Landau damping. We find an unusual dressing dynamics of bare particles and anomalous (logarithmic) relaxation of hard quasiparticles. copyright 1998 The American Physical Society

Tunable non-interacting free-energy functionals: development and applications to low-density aluminum

Science.gov (United States)

Trickey, Samuel; Karasiev, Valentin

We introduce the concept of tunable orbital-free non-interacting free-energy density functionals and present a generalized gradient approximation (GGA) with a subset of parameters defined from constraints and a few free parameters. Those free parameters are tuned to reproduce reference Kohn-Sham (KS) static-lattice pressures for Al at T=8 kK for bulk densities between 0.6 and 2 g/cm3. The tuned functional then is used in OF molecular dynamics (MD) simulations for Al with densities between 0.1 and 2 g/cm3 and T between 6 and 50 kK to calculate the equation of state and generate configurations for electrical conductivity calculations. The tunable functional produces accurate results. Computationally it is very effective especially at elevated temperature. Kohn-Shiam calculations for such low densities are affordable only up to T=10 kK, while other OF approximations, including two-point functionals, fail badly in that regime. Work supported by US DoE Grant DE-SC0002139.

Linear arrangement of metallic and superconducting defects in a thin superconducting sample

International Nuclear Information System (INIS)

Barba-Ortega, J.; Sardella, Edson; Albino Aguiar, J.

2013-01-01

Highlights: • We study the influence of superconducting and metallic defects on the vortex configurations in a thin mesoscopic disk. • We found that the vortex–defect interaction leads to interesting vortex configurations. • The first vortex entry is always (never) found sitting on the metallic (superconducting) defect position. -- Abstract: The vortex matter in a superconducting disk with a linear configuration of metallic and superconducting defects is studied. Effects associated to the pinning (anti-pinning) force of the metallic (superconducting) defect on the vortex configuration and on the thermodynamic critical fields are analyzed in the framework of the Ginzburg Landau theory. We calculate the loop of the magnetization, vorticity and free energy curves as a function of the magnetic field for a thin disk. Due to vortex–defect attraction for a metallic defect (repulsion for a superconducting defect), the vortices always (never) are found to be sitting on the defect position

Ginzburg criterion for ionic fluids: the effect of Coulomb interactions.

Science.gov (United States)

Patsahan, O

2013-08-01

The effect of the Coulomb interactions on the crossover between mean-field and Ising critical behavior in ionic fluids is studied using the Ginzburg criterion. We consider the charge-asymmetric primitive model supplemented by short-range attractive interactions in the vicinity of the gas-liquid critical point. The model without Coulomb interactions exhibiting typical Ising critical behavior is used to calibrate the Ginzburg temperature of the systems comprising electrostatic interactions. Using the collective variables method, we derive a microscopic-based effective Hamiltonian for the full model. We obtain explicit expressions for all the relevant Hamiltonian coefficients within the framework of the same approximation, i.e., the one-loop approximation. Then we consistently calculate the reduced Ginzburg temperature t(G) for both the purely Coulombic model (a restricted primitive model) and the purely nonionic model (a hard-sphere square-well model) as well as for the model parameters ranging between these two limiting cases. Contrary to the previous theoretical estimates, we obtain the reduced Ginzburg temperature for the purely Coulombic model to be about 20 times smaller than for the nonionic model. For the full model including both short-range and long-range interactions, we show that t(G) approaches the value found for the purely Coulombic model when the strength of the Coulomb interactions becomes sufficiently large. Our results suggest a key role of Coulomb interactions in the crossover behavior observed experimentally in ionic fluids as well as confirm the Ising-like criticality in the Coulomb-dominated ionic systems.

Rigorous study of the gap equation for an inhomogeneous superconducting state near T/sub c/

International Nuclear Information System (INIS)

Hu, C.R.

1975-01-01

An analytical study of the gap equation in the Bogoliubov formulation is presented. The normal-superconducting phase boundary is simulated by the expression Δ (R/sup =/) = Δ/sub infinity/ tanh / α Δ/sub infinity/z/v/sub f/) theta(z) where Δ/sub infinity/(t) is the equilibrium gap, theta (z) a unit step function and v/sub f/ the Fermi velocity. The Bogoliubov-de Gennes equations are solved in a nonperturbative WKBJ approximation. The gap equation is expanded near T/sub c/ in powers of Δ/sub infinity/ and the major term is of the same order as that given by the Ginzburg-Landau-Gor'kov approximation. Discrepancies in the two values are discussed in detail. It is concluded that the present technique reproduces the Ginzburg-Landau-Gor'kov results except within a BCS coherence length. 25 references

On the proximity effect in a superconductive slab bordered by metal

International Nuclear Information System (INIS)

Liniger, W.

1993-01-01

The first Ginzburg-Landau equation for the order parameter ψ in the absence of magnetic fields is solved analytically for a superconducting slab of thickness 2d boardered by semi-infinite regions of normal metal at each face. The real-valued normalized wave function f=ψ/ψ ∞ depends only on the transversal spatial coordinate x, normalized with respect to the coherence length ξ of the superconductor, provided the de Gennes boundary condition df/dx=f/b is used. The closed-form solution expresses x as an elliptic integral of f, depending on the normalized parameters d and b. It is predicted theoretically that, for b c =arctan(1/b), the proximity effect is so strong that the superconductivity is completely suppressed. In fact, in this case, the first Ginzburg-Landau equation possesses only the trivial solution f≡0

About positive, energy conservative and equilibrium state preserving schemes for the isotropic Fokker-Planck-Landau equation; Sur les schemas positifs, conservant l'energie et les etats d'equilibre pour l'equation de Fokker-Planck-Landau isotrope

Energy Technology Data Exchange (ETDEWEB)

Buet, Ch. [CEA Bruyeres-le-Chatel, Dept. des Sciences de la Simulation et de l' Information, 91 (France); Le Thanh, K.C. [CEA Bruyeres-le-Chatel, Dept. de Physique Theorique et Appliquee, 91 (France)

2006-07-01

The aim of this paper is to describe the discretization of the Fokker-Planck-Landau (FPL) collision term in the isotropic case which models the self collision for the electrons when they are totally isotropized by heavy particles background such as ions. The discussion focus on schemes which could preserve positivity, mass, energy and Maxwellian equilibrium. First, we analyze in detail the popular Chang and Cooper method for this non-linear collision term: derivation, conservation and positivity properties. We show that some variants of this method, based on the drift-diffusion form of the FPL operator, could not be positive or could not conserve the energy. We present a new variant of the Chang and Cooper method derived from the Landau form that is both positive and conservative. We also propose two new alternatives and simpler schemes for the FPL operator which show that the Chang and Cooper method is not the only way to construct positive, energy conservative and equilibrium state preserving schemes for this operator. For all these schemes, we explain clearly the properties of conservation of the density and the energy, the positivity of the solution and the conservation of the equilibrium states, or their lack. The case of Maxwellian and Coulombian potentials are emphasized. (authors)

Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections.

Science.gov (United States)

Sergiievskyi, Volodymyr P; Jeanmairet, Guillaume; Levesque, Maximilien; Borgis, Daniel

2014-06-05

Molecular density functional theory (MDFT) offers an efficient implicit-solvent method to estimate molecule solvation free-energies, whereas conserving a fully molecular representation of the solvent. Even within a second-order approximation for the free-energy functional, the so-called homogeneous reference fluid approximation, we show that the hydration free-energies computed for a data set of 500 organic compounds are of similar quality as those obtained from molecular dynamics free-energy perturbation simulations, with a computer cost reduced by 2-3 orders of magnitude. This requires to introduce the proper partial volume correction to transform the results from the grand canonical to the isobaric-isotherm ensemble that is pertinent to experiments. We show that this correction can be extended to 3D-RISM calculations, giving a sound theoretical justification to empirical partial molar volume corrections that have been proposed recently.

Two-order parameters theory of the metal-insulator phase transition kinetics in the magnetic field

Science.gov (United States)

Dubovskii, L. B.

2018-05-01

The metal-insulator phase transition is considered within the framework of the Ginzburg-Landau approach for the phase transition described with two coupled order parameters. One of the order parameters is the mass density which variation is responsible for the origin of nonzero overlapping of the two different electron bands and the appearance of free electron carriers. This transition is assumed to be a first-order phase one. The free electron carriers are described with the vector-function representing the second-order parameter responsible for the continuous phase transition. This order parameter determines mostly the physical properties of the metal-insulator transition and leads to a singularity of the surface tension at the metal-insulator interface. The magnetic field is involved into the consideration of the system. The magnetic field leads to new singularities of the surface tension at the metal-insulator interface and results in a drastic variation of the phase transition kinetics. A strong singularity in the surface tension results from the Landau diamagnetism and determines anomalous features of the metal-insulator transition kinetics.

Bargmann representation for Landau levels in two dimensions

Energy Technology Data Exchange (ETDEWEB)

Rohringer, Nina [Institute for Theoretical Physics, Vienna University of Technology, Wiedner Hauptstr. 8-10, A-1040 Vienna (Austria); Burgdoerfer, Joachim [Institute for Theoretical Physics, Vienna University of Technology, Wiedner Hauptstr. 8-10, A-1040 Vienna (Austria); Macris, Nicolas [Institut de Physique Theorique, Ecole Polytechnique Federale de Lausanne, CH-1015 Lausanne (Switzerland)

2003-04-11

We present a formulation of the quantum mechanics of an electron gas confined to two dimensions in a strong magnetic field within the framework of the Hilbert space of analytic functions (Bargmann's space). Our approach extends the representation introduced by Girvin and Jach for the ground state to arbitrary Landau levels and to the regime of coupling between Landau levels. By projecting out the rapid cyclotron motion, the quantum mechanics of the slow guiding centre motion is converted into a system of coupled-channel equations describing the coupling between Landau levels due to the (disorder) potentials. In the limit of strong fields, the coupled-channel equations can be solved perturbatively. For the single-channel case we derive a WKB-like quantization condition for the one-dimensional motion along equipotential lines for arbitrary Landau levels. Two applications of this formalism are discussed: the weak-levitation problem in quantum Hall systems and a two-electron quantum dot in a strong magnetic field.

Bargmann representation for Landau levels in two dimensions

International Nuclear Information System (INIS)

Rohringer, Nina; Burgdoerfer, Joachim; Macris, Nicolas

2003-01-01

We present a formulation of the quantum mechanics of an electron gas confined to two dimensions in a strong magnetic field within the framework of the Hilbert space of analytic functions (Bargmann's space). Our approach extends the representation introduced by Girvin and Jach for the ground state to arbitrary Landau levels and to the regime of coupling between Landau levels. By projecting out the rapid cyclotron motion, the quantum mechanics of the slow guiding centre motion is converted into a system of coupled-channel equations describing the coupling between Landau levels due to the (disorder) potentials. In the limit of strong fields, the coupled-channel equations can be solved perturbatively. For the single-channel case we derive a WKB-like quantization condition for the one-dimensional motion along equipotential lines for arbitrary Landau levels. Two applications of this formalism are discussed: the weak-levitation problem in quantum Hall systems and a two-electron quantum dot in a strong magnetic field

Bargmann representation for Landau levels in two dimensions

CERN Document Server

Rohringer, N; Macris, N

2003-01-01

We present a formulation of the quantum mechanics of an electron gas confined to two dimensions in a strong magnetic field within the framework of the Hilbert space of analytic functions (Bargmann's space). Our approach extends the representation introduced by Girvin and Jach for the ground state to arbitrary Landau levels and to the regime of coupling between Landau levels. By projecting out the rapid cyclotron motion, the quantum mechanics of the slow guiding centre motion is converted into a system of coupled-channel equations describing the coupling between Landau levels due to the (disorder) potentials. In the limit of strong fields, the coupled-channel equations can be solved perturbatively. For the single-channel case we derive a WKB-like quantization condition for the one-dimensional motion along equipotential lines for arbitrary Landau levels. Two applications of this formalism are discussed: the weak-levitation problem in quantum Hall systems and a two-electron quantum dot in a strong magnetic field...

Landau-Zener-Stueckelberg interferometry

Energy Technology Data Exchange (ETDEWEB)

Shevchenko, S.N., E-mail: sshevchenko@ilt.kharkov.u [B.Verkin Institute for Low Temperature Physics and Engineering, Kharkov (Ukraine); RIKEN Advanced Science Institute, Wako-shi, Saitama (Japan); Ashhab, S.; Nori, Franco [RIKEN Advanced Science Institute, Wako-shi, Saitama (Japan); Department of Physics, The University of Michigan, Ann Arbor, MI (United States)

2010-07-15

A transition between energy levels at an avoided crossing is known as a Landau-Zener transition. When a two-level system (TLS) is subject to periodic driving with sufficiently large amplitude, a sequence of transitions occurs. The phase accumulated between transitions (commonly known as the Stueckelberg phase) may result in constructive or destructive interference. Accordingly, the physical observables of the system exhibit periodic dependence on the various system parameters. This phenomenon is often referred to as Landau-Zener-Stueckelberg (LZS) interferometry. Phenomena related to LZS interferometry occur in a variety of physical systems. In particular, recent experiments on LZS interferometry in superconducting TLSs (qubits) have demonstrated the potential for using this kind of interferometry as an effective tool for obtaining the parameters characterizing the TLS as well as its interaction with the control fields and with the environment. Furthermore, strong driving could allow for fast and reliable control of the quantum system. Here we review recent experimental results on LZS interferometry, and we present related theory.

Landau-Zener-Stueckelberg interferometry

International Nuclear Information System (INIS)

Shevchenko, S.N.; Ashhab, S.; Nori, Franco

2010-01-01

A transition between energy levels at an avoided crossing is known as a Landau-Zener transition. When a two-level system (TLS) is subject to periodic driving with sufficiently large amplitude, a sequence of transitions occurs. The phase accumulated between transitions (commonly known as the Stueckelberg phase) may result in constructive or destructive interference. Accordingly, the physical observables of the system exhibit periodic dependence on the various system parameters. This phenomenon is often referred to as Landau-Zener-Stueckelberg (LZS) interferometry. Phenomena related to LZS interferometry occur in a variety of physical systems. In particular, recent experiments on LZS interferometry in superconducting TLSs (qubits) have demonstrated the potential for using this kind of interferometry as an effective tool for obtaining the parameters characterizing the TLS as well as its interaction with the control fields and with the environment. Furthermore, strong driving could allow for fast and reliable control of the quantum system. Here we review recent experimental results on LZS interferometry, and we present related theory.

Landau-Pomeranchuk-Migdal Effect for High-Energy Electrons Observed with Emulsion Chambers

CERN Document Server

Yoshida, Kenji; Yanagisawa, K; Kobayashi, T; Sato, Y; Nishimura, J

We have performed high-energy electron observations using balloon-borne emulsion chambers, and derived the cosmic-ray electron spectrum in the energy range from 30 GeV to 3 TeV. For the calibration of the emulsion chambers, we have also carried out beam tests of 50 GeV, 200 GeV, and 250 GeV electrons at CERN-SPS. The Landau-Pomeranchuk-Migdal (LPM) effect predicts the reduction of amplitude for bremsstrahlung photon emission. It affects to the depth of the first electron-positron pair of the electron-induced shower, the so-called shower starting point. In the emulsion chambers, we can measure the shower starting points for high- energy electrons with the position resolution of 1 m m. From the observations of accelerator-beam electrons of 200 GeV and 250 GeV, and cosmic-ray electrons above 400 GeV, we found the direct evidence of suppression of the bremsstrahlung cross sections due to the LPM effect.

Commensurate vortex configurations in thin superconducting films nanostructured by square lattice of magnetic dots

Energy Technology Data Exchange (ETDEWEB)

Milosevic, M.V.; Peeters, F.M

2004-05-01

Within the phenomenological Ginzburg-Landau (GL) theory, we investigate the vortex structure of a thin superconducting film (SC) with a regular matrix of ferromagnetic dots (FD) deposited on top of it. The vortex pinning properties of such a magnetic lattice are studied, and the field polarity dependent votex pinning is observed. The exact vortex configuration depends on the size of the magnetic dots, their polarity, periodicity of the FD-rooster and the properties of the SC expressed through the effective Ginzburg-Landau parameter {kappa}*.

Commensurate vortex configurations in thin superconducting films nanostructured by square lattice of magnetic dots

International Nuclear Information System (INIS)

Milosevic, M.V.; Peeters, F.M.

2004-01-01

Within the phenomenological Ginzburg-Landau (GL) theory, we investigate the vortex structure of a thin superconducting film (SC) with a regular matrix of ferromagnetic dots (FD) deposited on top of it. The vortex pinning properties of such a magnetic lattice are studied, and the field polarity dependent votex pinning is observed. The exact vortex configuration depends on the size of the magnetic dots, their polarity, periodicity of the FD-rooster and the properties of the SC expressed through the effective Ginzburg-Landau parameter κ*

Chiral correlators in Landau-Ginsburg theories and N=2 superconformal models

International Nuclear Information System (INIS)

Howe, P.S.; West, P.C.

1989-01-01

Chiral correlation functions are computed in N=2 Landau-Ginsburg models using the ε-expansion and the superconformal Ward identities for the Landau-Ginsburg effective action. They are also computed directly using superconformal model techniques. The same results are obtained yielding further confirmation of the identification of superconformal minimal models with Landau-Ginsburg models evaluated at their fixed points. The formulae for the chiral commutators that we compute are extremely simple when expressed in terms of effective actions. (orig.)

Wang-Landau Reaction Ensemble Method: Simulation of Weak Polyelectrolytes and General Acid-Base Reactions.

Science.gov (United States)

Landsgesell, Jonas; Holm, Christian; Smiatek, Jens

2017-02-14

We present a novel method for the study of weak polyelectrolytes and general acid-base reactions in molecular dynamics and Monte Carlo simulations. The approach combines the advantages of the reaction ensemble and the Wang-Landau sampling method. Deprotonation and protonation reactions are simulated explicitly with the help of the reaction ensemble method, while the accurate sampling of the corresponding phase space is achieved by the Wang-Landau approach. The combination of both techniques provides a sufficient statistical accuracy such that meaningful estimates for the density of states and the partition sum can be obtained. With regard to these estimates, several thermodynamic observables like the heat capacity or reaction free energies can be calculated. We demonstrate that the computation times for the calculation of titration curves with a high statistical accuracy can be significantly decreased when compared to the original reaction ensemble method. The applicability of our approach is validated by the study of weak polyelectrolytes and their thermodynamic properties.

Oscillatory magneto-convection under magnetic field modulation

Directory of Open Access Journals (Sweden)

Palle Kiran

2018-03-01

Full Text Available In this paper we investigate an oscillatory mode of nonlinear magneto-convection under time dependant magnetic field. The time dependant magnetic field consists steady and oscillatory parts. The oscillatory part of the imposed magnetic field is assumed to be of third order. An externally imposed vertical magnetic field in an electrically conducting horizontal fluid layer is considered. The finite amplitude analysis is discussed while perturbing the system. The complex Ginzburg-Landau model is used to derive an amplitude of oscillatory convection for weakly nonlinear mode. Heat transfer is quantified in terms of the Nusselt number, which is governed by the Landau equation. The variation of the modulation excitation of the magnetic field alternates heat transfer in the layer. The modulation excitation of the magnetic field is used either to enhance or diminish the heat transfer in the system. Further, it is found that, oscillatory mode of convection enhances the heat transfer and than stationary convection. The results have possible technological applications in magnetic fluid based systems involving energy transmission. Keywords: Weakly nonlinear theory, Oscillatory convection, Complex Ginzburg Landau model, Magnetic modulation

Fractional charge and inter-Landau-level states at points of singular curvature.

Science.gov (United States)

Biswas, Rudro R; Son, Dam Thanh

2016-08-02

The quest for universal properties of topological phases is fundamentally important because these signatures are robust to variations in system-specific details. Aspects of the response of quantum Hall states to smooth spatial curvature are well-studied, but challenging to observe experimentally. Here we go beyond this prevailing paradigm and obtain general results for the response of quantum Hall states to points of singular curvature in real space; such points may be readily experimentally actualized. We find, using continuum analytical methods, that the point of curvature binds an excess fractional charge and sequences of quantum states split away, energetically, from the degenerate bulk Landau levels. Importantly, these inter-Landau-level states are bound to the topological singularity and have energies that are universal functions of bulk parameters and the curvature. Our exact diagonalization of lattice tight-binding models on closed manifolds demonstrates that these results continue to hold even when lattice effects are significant. An important technological implication of these results is that these inter-Landau-level states, being both energetically and spatially isolated quantum states, are promising candidates for constructing qubits for quantum computation.

Landau-Ginsburg models with N=2 supersymmetry as conventional conformal theories

International Nuclear Information System (INIS)

Marshakov, A.

1990-01-01

The conformal Landau-Ginsburg (LG) models are identified with the Toda-like two-dimensional field theories. At least in the N=2 supersymmetric case they possess a simple free-field representation, related to the Nicolai map. (orig.)

The radial-hedgehog solution in Landau–de Gennes' theory for nematic liquid crystals

KAUST Repository

MAJUMDAR, APALA

2011-09-06

We study the radial-hedgehog solution in a three-dimensional spherical droplet, with homeotropic boundary conditions, within the Landau-de Gennes theory for nematic liquid crystals. The radial-hedgehog solution is a candidate for a global Landau-de Gennes minimiser in this model framework and is also a prototype configuration for studying isolated point defects in condensed matter physics. The static properties of the radial-hedgehog solution are governed by a non-linear singular ordinary differential equation. We study the analogies between Ginzburg-Landau vortices and the radial-hedgehog solution and demonstrate a Ginzburg-Landau limit for the Landau-de Gennes theory. We prove that the radial-hedgehog solution is not the global Landau-de Gennes minimiser for droplets of finite radius and sufficiently low temperatures and prove the stability of the radial-hedgehog solution in other parameter regimes. These results contain quantitative information about the effect of geometry and temperature on the properties of the radial-hedgehog solution and the associated biaxial instabilities. © Copyright Cambridge University Press 2011.

The radial-hedgehog solution in Landau–de Gennes' theory for nematic liquid crystals

KAUST Repository

MAJUMDAR, APALA

2011-01-01

We study the radial-hedgehog solution in a three-dimensional spherical droplet, with homeotropic boundary conditions, within the Landau-de Gennes theory for nematic liquid crystals. The radial-hedgehog solution is a candidate for a global Landau-de Gennes minimiser in this model framework and is also a prototype configuration for studying isolated point defects in condensed matter physics. The static properties of the radial-hedgehog solution are governed by a non-linear singular ordinary differential equation. We study the analogies between Ginzburg-Landau vortices and the radial-hedgehog solution and demonstrate a Ginzburg-Landau limit for the Landau-de Gennes theory. We prove that the radial-hedgehog solution is not the global Landau-de Gennes minimiser for droplets of finite radius and sufficiently low temperatures and prove the stability of the radial-hedgehog solution in other parameter regimes. These results contain quantitative information about the effect of geometry and temperature on the properties of the radial-hedgehog solution and the associated biaxial instabilities. © Copyright Cambridge University Press 2011.

Study of Landau spectrum for a two-dimensional random magnetic field; Etude du spectre de Landau pour un champ magnetique aleatoire en dimension deux

Energy Technology Data Exchange (ETDEWEB)

Furtlehner, C. [Paris-6 Univ., 75 (France)

1997-09-24

This thesis deals with the two-dimensional problem of a charged particle coupled to a random magnetic field. Various situations are considered, according to the relative importance of the mean value of field and random component. The last one is conceived as a distribution of magnetic impurities (punctual vortex), having various statistical properties (local or non-local correlations, Poisson distribution, etc). The study of this system has led to two distinct situations: - the case of the charged particle feeling the influence of mean field that manifests its presence in the spectrum of broadened Landau levels; - the disordered situation in which the spectrum can be distinguished from the free one only by a low energy Lifshits behaviour. Additional properties are occurring in the limit of `strong` mean field, namely a non-conventional low energy behaviour (in contrast to Lifshits behaviour) which was interpreted in terms of localized states. (author) 78 refs.

Condensate localization by mesoscale disorder in high-Tc superconductors

International Nuclear Information System (INIS)

Kumar, N.

1994-06-01

We propose and solve approximately a phenomenological model for Anderson localization of the macroscopic wavefunction for an inhomogeneous superconductor quench-disordered on the mesoscale of the order of the coherence length ξ 0 . Our treatment is based on the non-linear Schroedinger equation resulting from the Ginzburg-Landau free-energy functional having a spatially random coefficient representing spatial disorder of the pairing interaction. Linearization of the equation, valid close to the critical temperature T c , or to the upper critical field H c2 (T c ) maps it to the Anderson localization problem with T c identified with the mobility edge. For the highly anisotropic high-T c materials and thin (2D) films in the quantum Hall geometry, we predict windows of re-entrant superconductivity centered at integrally spaced temperature values. Our model treatment also provides a possible explanation for the critical current J c perpendicular becoming non-zero on cooling before J c parallel does in some high-T c superconductors. (author). 18 refs

Non perturbative analysis of an N=2 Landau-Ginsburg model

International Nuclear Information System (INIS)

Leaf Herrmann, W.A.

1993-01-01

We analyze the topological sector of an N=2 Landau-Ginsburg model using nonperturbative methods. In particular, we study the renormalization group flow between two superconformal minimal models, numerically compute the correlation functions along this trajectory, and compare the results to semi-classical calculations. We also study some aspects of arbitrary supersymmetric perturbations of the Landau-Ginsburg model. 20 refs, 4 figs

Physics of Limiting Phenomena in Superconducting Microwave Resonators: Vortex Dissipation, Ultimate Quench and Quality Factor Degradation Mechanisms

Energy Technology Data Exchange (ETDEWEB)

Checchin, Mattia [Illinois Inst. of Technology, Chicago, IL (United States)

2016-12-01

superheating field, which is intimately correlated to the penetration of magnetic flux vortices in the material. Experimental data for N-doped cavities suggest that uniform Ginzburg-Landau parameter cavities are statistically limited by the lower critical field, in terms of accelerating gradient. By introducing a Ginzburg-Landau parameter profile at the cavity rf surface--dirty layer--the accelerating gradient of superconducting resonators can be enhanced. The description of the physics behind the accelerating gradient enhancement as a consequence of the dirty layer is carried out by solving numerically the Ginzburg-Landau equations for the layered system. The enhancement is showed to be promoted by the higher energy barrier to vortex penetration, and by the enhanced lower critical field. Another serious threat to the quality factor during the cavity operation is the extra dissipation introduced by the quench. Such quality factor degradation mechanism due to the quench, is generated by the trapping of external magnetic flux at quench spot. The purely extrinsic origin of such extra dissipation is proven by the impossibility of decrease the quality factor by quenching in a magnetic field-free environment. Also, a clear relation of the dissipation introduced by quenching to the orientation of the applied magnetic field is observed. The full recover of the quality factor by re-quenching in compensated field is possible when the trapped flux at the quench spot is modest. On the contrary, when the trapped magnetic flux is too large, the quality factor degradation may become irreversible by this technique, likely due to the outward flux migration beyond the normal zone opening during the quench.

Physics of limiting phenomena in superconducting microwave resonators: Vortex dissipation, ultimate quench and quality factor degradation mechanisms

Science.gov (United States)

Checchin, Mattia

field, which is intimately correlated to the penetration of magnetic flux vortices in the material. Experimental data for N-doped cavities suggest that uniform Ginzburg-Landau parameter cavities are statistically limited by the lower critical field, in terms of accelerating gradient. By introducing a Ginzburg-Landau parameter profile at the cavity rf surface--dirty layer--the accelerating gradient of superconducting resonators can be enhanced. The description of the physics behind the accelerating gradient enhancement as a consequence of the dirty layer is carried out by solving numerically the Ginzburg-Landau equations for the layered system. The enhancement is showed to be promoted by the higher energy barrier to vortex penetration, and by the enhanced lower critical field. Another serious threat to the quality factor during the cavity operation is the extra dissipation introduced by the quench. Such quality factor degradation mechanism due to the quench, is generated by the trapping of external magnetic flux at the quench spot. The purely extrinsic origin of such extra dissipation is proven by the impossibility of decrease the quality factor by quenching in a magnetic field-free environment. Also, a clear relation of the dissipation introduced by quenching to the orientation of the applied magnetic field is observed. The full recover of the quality factor by re-quenching in compensated field is possible when the trapped flux at the quench spot is modest. On the contrary, when the trapped magnetic flux is too large, the quality factor degradation may become irreversible by this technique, likely due to the outward flux migration beyond the normal zone opening during the quench.

SOCIAL EQUIVALENT OF FREE ENERGY

Directory of Open Access Journals (Sweden)

Josip Stepanic

2004-06-01

Full Text Available Characterisation of unbounded resources of a social system within the sociological interpretation has resulted in a large number of different notions, which are relevant in different situations. From the view point of statistical mechanics, these notions resemble free energy. In this paper the concept of social free energy is introduced and first steps toward its development presented. The social free energy is a function equal to physical free energy appropriately determined for the social system, with intrinsically sociological interpretation as a measure of social action obtainable in a given social system without changes in its structure. Its construction is a consequence of response of a social system to recognised parts of environment dynamics. It is argued that development of a social system response resembles exciting the normal modes of a general, physical system.

Observation of roton density of states in two-dimensional Landau-level excitations

International Nuclear Information System (INIS)

Pinczuk, A.; Valladares, J.P.; Heiman, D.; Gossard, A.C.; English, J.H.; Tu, C.W.; Pfeiffer, L.; West, K.

1988-01-01

Inelastic light scattering by inter-Landau-level excitations of the 2D electron gas in high-mobility GaAs structures in a perpendicular magnetic field was observed at the energies of the critical points in the mode dispersions. For Landau-level filling factors /nu//ge/, structure in the spectra indicates the excitonic binding and roton behavior predicted by the Hartree-Fock approximation. The large critical-point wave vectors, qapprox. >((h/2/pi/)c/eB)/sup -1/2/approx. >10/sup 6/ cm/sup -1/, are probably accessible in resonant light scattering through the residual disorder that broadens the Landau levels

Intrinsic magnetic torque at low magnetic induction

International Nuclear Information System (INIS)

Doria, M.M.; Oliveira, I.G. de.

1993-01-01

Using anisotropic London theory the intrinsic magnetic torque for extreme type II uniaxial superconductors for any value of the magnetic induction is obtained. It is considered the vortex lines straight and take into account the contribution of the supercurrents flowing inside the vortex core within the London theory. It is shown that the interline and intra line free energies give opposite torque contributions, the first drives the magnetic induction parallel to the superconductor's axis of symmetry and the second orthogonal to it. At high magnetic induction torque expression obtained generalizes V. Kogan's formula since it has no free parameters other than the anisotropy γ = m 1 /m 3 and the Ginzburg-Landau parameter κ. At low magnetic induction it is proposed a way to observe vortex chains effects in the total torque based on the fact that London theory is linear and the energy to make a single vortex line in space is independent of the magnetic induction. (author)

Accurate calculation of conformational free energy differences in explicit water: the confinement-solvation free energy approach.

Science.gov (United States)

Esque, Jeremy; Cecchini, Marco

2015-04-23

The calculation of the free energy of conformation is key to understanding the function of biomolecules and has attracted significant interest in recent years. Here, we present an improvement of the confinement method that was designed for use in the context of explicit solvent MD simulations. The development involves an additional step in which the solvation free energy of the harmonically restrained conformers is accurately determined by multistage free energy perturbation simulations. As a test-case application, the newly introduced confinement/solvation free energy (CSF) approach was used to compute differences in free energy between conformers of the alanine dipeptide in explicit water. The results are in excellent agreement with reference calculations based on both converged molecular dynamics and umbrella sampling. To illustrate the general applicability of the method, conformational equilibria of met-enkephalin (5 aa) and deca-alanine (10 aa) in solution were also analyzed. In both cases, smoothly converged free-energy results were obtained in agreement with equilibrium sampling or literature calculations. These results demonstrate that the CSF method may provide conformational free-energy differences of biomolecules with small statistical errors (below 0.5 kcal/mol) and at a moderate computational cost even with a full representation of the solvent.

Chern-Simons field theory of two-dimensional electrons in the lowest Landau level

International Nuclear Information System (INIS)

Zhang, L.

1996-01-01

We propose a fermion Chern-Simons field theory describing two-dimensional electrons in the lowest Landau level. This theory is constructed with a complete set of states, and the lowest-Landau-level constraint is enforced through a δ functional described by an auxiliary field λ. Unlike the field theory constructed directly with the states in the lowest Landau level, this theory allows one, utilizing the physical picture of open-quote open-quote composite fermion,close-quote close-quote to study the fractional quantum Hall states by mapping them onto certain integer quantum Hall states; but, unlike its application in the unconstrained theory, such a mapping is sensible only when interactions between electrons are present. An open-quote open-quote effective mass,close-quote close-quote which characterizes the scale of low energy excitations in the fractional quantum Hall systems, emerges naturally from our theory. We study a Gaussian effective theory and interpret physically the dressed stationary point equation for λ as an equation for the open-quote open-quote mass renormalization close-quote close-quote of composite fermions. copyright 1996 The American Physical Society

Superconductivity: Phenomenology

International Nuclear Information System (INIS)

Falicov, L.M.

1988-08-01

This document discusses first the following topics: (a) The superconducting transition temperature; (b) Zero resistivity; (c) The Meissner effect; (d) The isotope effect; (e) Microwave and optical properties; and (f) The superconducting energy gap. Part II of this document investigates the Ginzburg-Landau equations by discussing: (a) The coherence length; (b) The penetration depth; (c) Flux quantization; (d) Magnetic-field dependence of the energy gap; (e) Quantum interference phenomena; and (f) The Josephson effect

Landau levels and shallow donor states in GaAs/AlGaAs multiple quantum wells at megagauss magnetic fields

Science.gov (United States)

Zybert, M.; Marchewka, M.; Sheregii, E. M.; Rickel, D. G.; Betts, J. B.; Balakirev, F. F.; Gordon, M.; Stier, A. V.; Mielke, C. H.; Pfeffer, P.; Zawadzki, W.

2017-03-01

Landau levels and shallow donor states in multiple GaAs/AlGaAs quantum wells (MQWs) are investigated by means of the cyclotron resonance at megagauss magnetic fields. Measurements of magneto-optical transitions were performed in pulsed fields up to 140 T and temperatures from 6-300 K. The 14 ×14 P.p band model for GaAs is used to interpret free-electron transitions in a magnetic field. Temperature behavior of the observed resonant structure indicates, in addition to the free-electron Landau states, contributions of magnetodonor states in the GaAs wells and possibly in the AlGaAs barriers. The magnetodonor energies are calculated using a variational procedure suitable for high magnetic fields and accounting for conduction band nonparabolicity in GaAs. It is shown that the above states, including their spin splitting, allow one to interpret the observed magneto-optical transitions in MQWs in the middle infrared region. Our experimental and theoretical results at very high magnetic fields are consistent with the picture used previously for GaAs/AlGaAs MQWs at lower magnetic fields.

The Wang-Landau Sampling Algorithm

Science.gov (United States)

Landau, David P.

2003-03-01

Over the past several decades Monte Carlo simulations[1] have evolved into a powerful tool for the study of wide-ranging problems in statistical/condensed matter physics. Standard methods sample the probability distribution for the states of the system, usually in the canonical ensemble, and enormous improvements have been made in performance through the implementation of novel algorithms. Nonetheless, difficulties arise near phase transitions, either due to critical slowing down near 2nd order transitions or to metastability near 1st order transitions, thus limiting the applicability of the method. We shall describe a new and different Monte Carlo approach [2] that uses a random walk in energy space to determine the density of states directly. Once the density of states is estimated, all thermodynamic properties can be calculated at all temperatures. This approach can be extended to multi-dimensional parameter spaces and has already found use in classical models of interacting particles including systems with complex energy landscapes, e.g., spin glasses, protein folding models, etc., as well as for quantum models. 1. A Guide to Monte Carlo Simulations in Statistical Physics, D. P. Landau and K. Binder (Cambridge U. Press, Cambridge, 2000). 2. Fugao Wang and D. P. Landau, Phys. Rev. Lett. 86, 2050 (2001); Phys. Rev. E64, 056101-1 (2001).

New Wang-Landau approach to obtain phase diagrams for multicomponent alloys

Science.gov (United States)

Takeuchi, Kazuhito; Tanaka, Ryohei; Yuge, Koretaka

2017-10-01

We develop an approach to apply the Wang-Landau algorithm to multicomponent alloys in a semi-grand-canonical ensemble. Although the Wang-Landau algorithm has great advantages over conventional sampling methods, there are few applications to alloys. This is because calculating compositions in a semi-grand-canonical ensemble via the Wang-Landau algorithm requires a multidimensional density of states in terms of total energy and compositions, and constructing it is difficult from the viewpoints of both implementation and computational cost. In this study, we develop a simple approach to calculate the alloy phase diagram based on the Wang-Landau algorithm, and show that a number of one-dimensional densities of states could lead to compositions in a semi-grand-canonical ensemble as a multidimensional density of states could. Finally, we apply the present method to Cu-Au and Pd-Rh alloys and confirm that the present method successfully describes the phase diagram with high efficiency, validity, and accuracy.

Relativistic Landau levels in the rotating cosmic string spacetime

Energy Technology Data Exchange (ETDEWEB)

Cunha, M.S. [Universidade Estadual do Ceara, Grupo de Fisica Teorica (GFT), Fortaleza, CE (Brazil); Muniz, C.R. [Universidade Estadual do Ceara, Faculdade de Educacao, Ciencias e Letras de Iguatu, Iguatu, CE (Brazil); Christiansen, H.R. [Instituto Federal de Ciencia, Educacao e Tecnologia, IFCE Departamento de Fisica, Sobral (Brazil); Bezerra, V.B. [Universidade Federal da Paraiba-UFPB, Departamento de Fisica, Caixa Postal 5008, Joao Pessoa, PB (Brazil)

2016-09-15

In the spacetime induced by a rotating cosmic string we compute the energy levels of a massive spinless particle coupled covariantly to a homogeneous magnetic field parallel to the string. Afterwards, we consider the addition of a scalar potential with a Coulomb-type and a linear confining term and completely solve the Klein-Gordon equations for each configuration. Finally, assuming rigid-wall boundary conditions, we find the Landau levels when the linear defect is itself magnetized. Remarkably, our analysis reveals that the Landau quantization occurs even in the absence of gauge fields provided the string is endowed with spin. (orig.)

Itinerant ferromagnetism in fermionic systems with SP (2 N) symmetry

Science.gov (United States)

Yang, Wang; Wu, Congjun

The Ginzburg-Landau free energy of systems with SP (2 N) symmetry describes a second order phase transition on the mean field level, since the Casimir invariants of the SP (2 N) group can be only of even order combinations of the generators of the SP (2 N) group. This is in contrast with systems having the SU (N) symmetry, where the allowance of cubic term generally makes the phase transition into first order. In this work, we consider the Hertz-Millis type itinerant ferromagnetism in an interacting fermionic system with SP (2 N) symmetry, where the ferromagnetic orders are enriched by the multi-component nature of the system. The quantum criticality is discussed near the second order phase transition point.

Study of Landau spectrum for a two-dimensional random magnetic field

International Nuclear Information System (INIS)

Furtlehner, C.

1997-01-01

This thesis deals with the two-dimensional problem of a charged particle coupled to a random magnetic field. Various situations are considered, according to the relative importance of the mean value of field and random component. The last one is conceived as a distribution of magnetic impurities (punctual vortex), having various statistical properties (local or non-local correlations, Poisson distribution, etc). The study of this system has led to two distinct situations: - the case of the charged particle feeling the influence of mean field that manifests its presence in the spectrum of broadened Landau levels; - the disordered situation in which the spectrum can be distinguished from the free one only by a low energy Lifshits behaviour. Additional properties are occurring in the limit of 'strong' mean field, namely a non-conventional low energy behaviour (in contrast to Lifshits behaviour) which was interpreted in terms of localized states. (author)

On the Landau-de Gennes Elastic Energy of a Q-Tensor Model for Soft Biaxial Nematics

Science.gov (United States)

Mucci, Domenico; Nicolodi, Lorenzo

2017-12-01

In the Landau-de Gennes theory of liquid crystals, the propensities for alignments of molecules are represented at each point of the fluid by an element Q of the vector space S_0 of 3× 3 real symmetric traceless matrices, or Q-tensors. According to Longa and Trebin (1989), a biaxial nematic system is called soft biaxial if the tensor order parameter Q satisfies the constraint tr(Q^2) = {const}. After the introduction of a Q-tensor model for soft biaxial nematic systems and the description of its geometric structure, we address the question of coercivity for the most common four-elastic-constant form of the Landau-de Gennes elastic free-energy (Iyer et al. 2015) in this model. For a soft biaxial nematic system, the tensor field Q takes values in a four-dimensional sphere S^4_ρ of radius ρ ≤ √{2/3} in the five-dimensional space S_0 with inner product = tr(QP). The rotation group it{SO}(3) acts orthogonally on S_0 by conjugation and hence induces an action on S^4_ρ \\subset {S}_0. This action has generic orbits of codimension one that are diffeomorphic to an eightfold quotient S^3/H of the unit three-sphere S^3, where H={± 1, ± i, ± j, ± k} is the quaternion group, and has two degenerate orbits of codimension two that are diffeomorphic to the projective plane RP^2. Each generic orbit can be interpreted as the order parameter space of a constrained biaxial nematic system and each singular orbit as the order parameter space of a constrained uniaxial nematic system. It turns out that S^4_ρ is a cohomogeneity one manifold, i.e., a manifold with a group action whose orbit space is one-dimensional. Another important geometric feature of the model is that the set Σ _ρ of diagonal Q-tensors of fixed norm ρ is a (geodesic) great circle in S^4_ρ which meets every orbit of S^4_ρ orthogonally and is then a section for S^4_ρ in the sense of the general theory of canonical forms. We compute necessary and sufficient coercivity conditions for the elastic energy by

A quark-antiquark potential from a superconducting model of confinement

Directory of Open Access Journals (Sweden)

J.W. Alcock

1983-10-01

Full Text Available The Landau-Ginzburg phenomenological theory of superconductivity is used as a model of flux confinement. A monopole pair of sources is included to simulate a quark-antiquark system. The interaction energy is found in the static approximation appropriate for heavy quark systems, and equated with the interquark potential. This potential is compared with other suggested phenomenological potentials and succeeds in reproducing heavy quark spectra.

Landau parameters for finite range density dependent nuclear interactions

International Nuclear Information System (INIS)

Farine, M.

1997-01-01

The Landau parameters represent the effective particle-hole interaction at Fermi level. Since between the physical observables and the Landau parameters there is a direct relation their derivation from an effective interaction is of great interest. The parameter F 0 determines the incompressibility K of the system. The parameter F 1 determines the effective mass (which controls the level density at the Fermi level). In addition, F 0 ' determines the symmetry energy, G 0 the magnetic susceptibility, and G 0 ' the pion condensation threshold in nuclear matter. This paper is devoted to a general derivation of Landau parameters for an interaction with density dependent finite range terms. Particular carefulness is devoted to the inclusion of rearrangement terms. This report is part of a larger project which aims at defining a new nuclear interaction improving the well-known D1 force of Gogny et al. for describing the average nuclear properties and exotic nuclei and satisfying, in addition, the sum rules

Variational and PDE-Based Methods for Big Data Analysis, Classification and Image Processing Using Graphs

Science.gov (United States)

2015-01-01

Assistant for Calculus (winter 2011) xii CHAPTER 1 Introduction We present several methods, outlined in Chapters 3-5, for image processing and data...local calculus formulation [103] to generalize the continuous formulation to a (non-local) discrete setting, while other non-local versions for...graph-based model based on the Ginzburg-Landau functional in their work [9]. To define the functional on a graph, the spatial gradient is replaced by a

Probing Free-Energy Surfaces with Differential Scanning Calorimetry

Science.gov (United States)

Sanchez-Ruiz, Jose M.

2011-05-01

Many aspects of protein folding can be understood in terms of projections of the highly dimensional energy landscape onto a few (or even only one) particularly relevant coordinates. These free-energy surfaces can be probed conveniently from experimental differential scanning calorimetry (DSC) thermograms, as DSC provides a direct relation with the protein partition function. Free-energy surfaces thus obtained are consistent with two fundamental scenarios predicted by the energy-landscape perspective: (a) well-defined macrostates separated by significant free-energy barriers, in some cases, and, in many other cases, (b) marginal or even vanishingly small barriers, which furthermore show a good correlation with kinetics for fast- and ultrafast-folding proteins. Overall, the potential of DSC to assess free-energy surfaces for a wide variety of proteins makes it possible to address fundamental issues, such as the molecular basis of the barrier modulations produced by natural selection in response to functional requirements or to ensure kinetic stability.

Explosions in Landau Vlasov dynamics

International Nuclear Information System (INIS)

Suraud, E.; Cussol, D.; Gregoire, C.; Boilley, D.; Pi, M.; Schuck, P.; Remaud, B.; Sebille, F.

1988-01-01

A microscopic study of the quasi-fusion/explosion transition is presented in the framework of Landau-Vlasov simulations of intermediate energy heavy-ion collisions (bombarding energies between 10 and 100 MeV/A). A detailed analysis in terms of the Equation of State of the system is performed. In agreement with schematic models we find that the composite nuclear system formed in the collision does explode when it stays long enough in the mechanically unstable region (spinodal region). Quantitative estimates of the explosion threshold are given for central symmetric reactions (Ca+Ca and Ar+Ti). The effect of the nuclear matter compressibility modulus is discussed

Forces and energy dissipation in inhomogeneous non-equilibrium superconductors

International Nuclear Information System (INIS)

Poluehktov, Yu.M.; Slezov, V.V.

1987-01-01

The phenomenological theory of volume forces and dissipation processes in inhomogeneous non-equilibrium superconductors near temperature transition from the normal to superconducting state is constructed. The approach is based on application of dynamic equations of superconductivity formulated on the basis of the Lagrangian formalism. These equations are generalized the Ginzburg-Landau theory in the nonstationary non-equilibrium case for ''foul'' superconductors. The value estimations of volume forces arising in inhomogeneities during relaxation of an order parameter and when the electrical field is penetrated into the superconductor, are given

Two healing lengths in a two-band GL-model with quadratic terms: Numerical results

Science.gov (United States)

Macias-Medri, A. E.; Rodríguez-Núñez, J. J.

2018-05-01

A two-band and quartic interaction order Ginzburg-Landau model in the presence of a single vortex is studied in this work. Interactions of second (quadratic, with coupling parameter γ) and fourth (quartic, with coupling parameter γ˜) order between the two superconducting order parameters (fi with i = 1,2) are incorporated in a functional. Terms beyond quadratic gradient contributions are neglected in the corresponding minimized free energy. The solution of the system of coupled equations is solved by numerical methods to obtain the fi-profiles, where our starting point was the calculation of the superconducting critical temperature Tc. With this at hand, we evaluate fi and the magnetic field along the z-axis, B0, as function of γ, γ˜, the radial distance r/λ1(0) and the temperature T, for T ≈ Tc. The self-consistent equations allow us to compute λ (penetration depth) and the healing lengths of fi (Lhi with i = 1,2) as functions of T, γ and γ˜. At the end, relevant discussions about type-1.5 superconductivity in the compounds we have studied are presented.

Solvent density inhomogeneities and solvation free energies in supercritical diatomic fluids: a density functional approach.

Science.gov (United States)

Husowitz, B; Talanquer, V

2007-02-07

Density functional theory is used to explore the solvation properties of a spherical solute immersed in a supercritical diatomic fluid. The solute is modeled as a hard core Yukawa particle surrounded by a diatomic Lennard-Jones fluid represented by two fused tangent spheres using an interaction site approximation. The authors' approach is particularly suitable for thoroughly exploring the effect of different interaction parameters, such as solute-solvent interaction strength and range, solvent-solvent long-range interactions, and particle size, on the local solvent structure and the solvation free energy under supercritical conditions. Their results indicate that the behavior of the local coordination number in homonuclear diatomic fluids follows trends similar to those reported in previous studies for monatomic fluids. The local density augmentation is particularly sensitive to changes in solute size and is affected to a lesser degree by variations in the solute-solvent interaction strength and range. The associated solvation free energies exhibit a nonmonotonous behavior as a function of density for systems with weak solute-solvent interactions. The authors' results suggest that solute-solvent interaction anisotropies have a major influence on the nature and extent of local solvent density inhomogeneities and on the value of the solvation free energies in supercritical solutions of heteronuclear molecules.

Landau Damping Revisited

International Nuclear Information System (INIS)

Rees, John; Chao, Alexander

2008-01-01

Landau damping, as the term is used in accelerator science, is a physical process in which an ensemble of harmonic oscillators--an accelerator beam, for example--that would otherwise be unstable is stabilized by a spread in the natural frequencies of the oscillators. This is a study of the most basic aspects of that process. It has two main goals: to gain a deeper insight into the mechanism of Landau damping and to find the coherent motion of the ensemble and thus the dependence of the total damping rate on the frequency spread

Free energy profiles from single-molecule pulling experiments.

Science.gov (United States)

Hummer, Gerhard; Szabo, Attila

2010-12-14

Nonequilibrium pulling experiments provide detailed information about the thermodynamic and kinetic properties of molecules. We show that unperturbed free energy profiles as a function of molecular extension can be obtained rigorously from such experiments without using work-weighted position histograms. An inverse Weierstrass transform is used to relate the system free energy obtained from the Jarzynski equality directly to the underlying molecular free energy surface. An accurate approximation for the free energy surface is obtained by using the method of steepest descent to evaluate the inverse transform. The formalism is applied to simulated data obtained from a kinetic model of RNA folding, in which the dynamics consists of jumping between linker-dominated folded and unfolded free energy surfaces.

Landau damping in trapped Bose condensed gases

Energy Technology Data Exchange (ETDEWEB)

Jackson, B; Zaremba, E [Department of Physics, Queen' s University, Kingston, ON K7L 3N6 (Canada)

2003-07-01

We study Landau damping in dilute Bose-Einstein condensed gases in both spherical and prolate ellipsoidal harmonic traps. We solve the Bogoliubov equations for the mode spectrum in both of these cases, and calculate the damping by summing over transitions between excited quasiparticle states. The results for the spherical case are compared to those obtained in the Hartree-Fock (HF) approximation, where the excitations take on a single-particle character, and excellent agreement between the two approaches is found. We have also taken the semiclassical limit of the HF approximation and obtain a novel expression for the Landau damping rate involving the time-dependent self-diffusion function of the thermal cloud. As a final approach, we study the decay of a condensate mode by making use of dynamical simulations in which both the condensate and thermal cloud are evolved explicitly as a function of time. A detailed comparison of all these methods over a wide range of sample sizes and trap geometries is presented.

Landau retardation on the occurrence scattering time in quantum electron–hole plasmas

International Nuclear Information System (INIS)

Hong, Woo-Pyo; Jung, Young-Dae

2016-01-01

The Landau damping effects on the occurrence scattering time in electron collisions are investigated in a quantum plasma composed of electrons and holes. The Shukla–Stenflo–Bingham effective potential model is employed to obtain the occurrence scattering time in a quantum electron–hole plasma. The result shows that the influence of Landau damping produces the imaginary term in the scattering amplitude. It is then found that the Landau damping generates the retardation effect on the occurrence scattering time. It is found that the occurrence scattering time increases in forward scattering domains and decreases in backward scattering domains with an increase of the Landau parameter. It is also found that the occurrence scattering time decreases with increasing collision energy. In addition, it is found that the quantum shielding effect enhances the occurrence scattering time in the forward scattering and, however, suppresses the occurrence scattering time in the backward scattering. - Highlights: • The Landau damping effects on the occurrence scattering time are investigated in a quantum electron–hole plasma. • The Shukla–Stenflo–Bingham potential model is employed to obtain the occurrence scattering time in quantum plasmas. • The influence of quantum shielding on the occurrence scattering time is discussed.

Tunable Landau-Zener transitions using continuous- and chirped-pulse-laser couplings

Science.gov (United States)

Sarreshtedari, Farrokh; Hosseini, Mehdi

2017-03-01

The laser coupled Landau-Zener avoided crossing has been investigated with an aim towards obtaining the laser source parameters for precise controlling of the state dynamics in a two-level quantum system. The conventional Landau-Zener equation is modified for including the interaction of the system with a laser field during a bias energy sweep and the obtained Hamiltonian is numerically solved for the investigation of the two-state occupation probabilities. We have shown that in the Landau-Zener process, using an additional laser source with controlled amplitude, frequency, and phase, the system dynamics could be arbitrarily engineered. This is while, by synchronous frequency sweeping of a chirped-pulse laser, the system could be guided into a resonance condition, which again gives the remarkable possibility for precise tuning and controlling of the quantum system dynamics.

QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins.

Science.gov (United States)

Hayashi, Shigehiko; Uchida, Yoshihiro; Hasegawa, Taisuke; Higashi, Masahiro; Kosugi, Takahiro; Kamiya, Motoshi

2017-05-05

Many remarkable molecular functions of proteins use their characteristic global and slow conformational dynamics through coupling of local chemical states in reaction centers with global conformational changes of proteins. To theoretically examine the functional processes of proteins in atomic detail, a methodology of quantum mechanical/molecular mechanical (QM/MM) free-energy geometry optimization is introduced. In the methodology, a geometry optimization of a local reaction center is performed with a quantum mechanical calculation on a free-energy surface constructed with conformational samples of the surrounding protein environment obtained by a molecular dynamics simulation with a molecular mechanics force field. Geometry optimizations on extensive free-energy surfaces by a QM/MM reweighting free-energy self-consistent field method designed to be variationally consistent and computationally efficient have enabled examinations of the multiscale molecular coupling of local chemical states with global protein conformational changes in functional processes and analysis and design of protein mutants with novel functional properties.

On the quantum Landau collision operator and electron collisions in dense plasmas

Energy Technology Data Exchange (ETDEWEB)

Daligault, Jérôme, E-mail: daligaul@lanl.gov [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

2016-03-15

The quantum Landau collision operator, which extends the widely used Landau/Fokker-Planck collision operator to include quantum statistical effects, is discussed. The quantum extension can serve as a reference model for including electron collisions in non-equilibrium dense plasmas, in which the quantum nature of electrons cannot be neglected. In this paper, the properties of the Landau collision operator that have been useful in traditional plasma kinetic theory and plasma transport theory are extended to the quantum case. We outline basic properties in connection with the conservation laws, the H-theorem, and the global and local equilibrium distributions. We discuss the Fokker-Planck form of the operator in terms of three potentials that extend the usual two Rosenbluth potentials. We establish practical closed-form expressions for these potentials under local thermal equilibrium conditions in terms of Fermi-Dirac and Bose-Einstein integrals. We study the properties of linearized quantum Landau operator, and extend two popular approximations used in plasma physics to include collisions in kinetic simulations. We apply the quantum Landau operator to the classic test-particle problem to illustrate the physical effects embodied in the quantum extension. We present useful closed-form expressions for the electron-ion momentum and energy transfer rates. Throughout the paper, similarities and differences between the quantum and classical Landau collision operators are emphasized.

On the quantum Landau collision operator and electron collisions in dense plasmas

Science.gov (United States)

Daligault, Jérôme

2016-03-01

The quantum Landau collision operator, which extends the widely used Landau/Fokker-Planck collision operator to include quantum statistical effects, is discussed. The quantum extension can serve as a reference model for including electron collisions in non-equilibrium dense plasmas, in which the quantum nature of electrons cannot be neglected. In this paper, the properties of the Landau collision operator that have been useful in traditional plasma kinetic theory and plasma transport theory are extended to the quantum case. We outline basic properties in connection with the conservation laws, the H-theorem, and the global and local equilibrium distributions. We discuss the Fokker-Planck form of the operator in terms of three potentials that extend the usual two Rosenbluth potentials. We establish practical closed-form expressions for these potentials under local thermal equilibrium conditions in terms of Fermi-Dirac and Bose-Einstein integrals. We study the properties of linearized quantum Landau operator, and extend two popular approximations used in plasma physics to include collisions in kinetic simulations. We apply the quantum Landau operator to the classic test-particle problem to illustrate the physical effects embodied in the quantum extension. We present useful closed-form expressions for the electron-ion momentum and energy transfer rates. Throughout the paper, similarities and differences between the quantum and classical Landau collision operators are emphasized.

MD 1407 - Landau Damping: Beam Transfer Functions and diffusion mechanisms

CERN Document Server

Tambasco, Claudia; Boccardi, Andrea; Buffat, Xavier; Gasior, Marek; Lefevre, Thibaut; Levens, Tom; Pojer, Mirko; Salvachua Ferrando, Belen Maria; Solfaroli Camillocci, Matteo; Pieloni, Tatiana; Crouch, Matthew Paul; CERN. Geneva. ATS Department

2017-01-01

In the 2012, 2015 and 2016 run several instabilities were developing at flat-top, during and at the end of the betatron squeeze where beam-beam interactions are present. The tune spread in the beams is therefore modified by the beam-beam long-range interactions and by other sources of spread. Studies of the stability area computed by evaluating the dispersion integral for different tune spreads couldn’t explain the observed instabilities during the squeeze and stable beams. The size of the stability area given by the computed dispersion integral depends on the transverse tune spread but its shape is defined by the particle distribution in the beams. Therefore any change of the particle distribution can lead to a deterioration of the Landau stability area. The Beam Transfer Functions (BTF) are direct measurements of the Stability Diagrams (SD). They are sensitive to particle distributions and contain information about the transverse tune spread in the beams. In this note are summarized the results of the BTF...

QCD with two colors at finite baryon density at next-to-leading order

International Nuclear Information System (INIS)

Splittorff, K.; Toublan, D.; Verbaarschot, J.J.M.

2002-01-01

We study QCD with two colors and quarks in the fundamental representation at finite baryon density in the limit of light-quark masses. In this limit the free energy of this theory reduces to the free energy of a chiral Lagrangian which is based on the symmetries of the microscopic theory. In earlier work this Lagrangian was analyzed at the mean-field level and a phase transition to a phase of condensed diquarks was found at a chemical potential of half the diquark mass (which is equal to the pion mass). In this article we analyze this theory at next-to-leading order in chiral perturbation theory. We show that the theory is renormalizable and calculate the next-to-leading order free energy in both phases of the theory. By deriving a Landau-Ginzburg theory for the order parameter we show that the finite one-loop contribution and the next-to-leading order terms in the chiral Lagrangian do not qualitatively change the phase transition. In particular, the critical chemical potential is equal to half the next-to-leading order pion mass, and the phase transition is of second order

Multiple parton scattering in nuclei: heavy quark energy loss and modified fragmentation functions

International Nuclear Information System (INIS)

Zhang Benwei; Wang, Enke; Wang Xinnian

2005-01-01

Multiple scattering, induced radiative energy loss and modified fragmentation functions of a heavy quark in nuclear matter are studied within the framework of generalized factorization in perturbative QCD. Modified heavy quark fragmentation functions and energy loss are derived in detail with illustration of the mass dependencies of the Landau-Pomeranchuk-Migdal interference effects and heavy quark energy loss. Due to the quark mass dependence of the gluon formation time, the nuclear size dependencies of nuclear modification of the heavy quark fragmentation function and heavy quark energy loss are found to change from a linear to a quadratic form when the initial energy and momentum scale are increased relative to the quark mass. The radiative energy loss of the heavy quark is also significantly suppressed due to limited cone of gluon radiation imposed by the mass. Medium modification of the heavy quark fragmentation functions is found to be limited to the large z region due to the form of heavy quark fragmentation functions in vacuum

Simulations of skin barrier function: free energies of hydrophobic and hydrophilic transmembrane pores in ceramide bilayers.

Science.gov (United States)

Notman, Rebecca; Anwar, Jamshed; Briels, W J; Noro, Massimo G; den Otter, Wouter K

2008-11-15

Transmembrane pore formation is central to many biological processes such as ion transport, cell fusion, and viral infection. Furthermore, pore formation in the ceramide bilayers of the stratum corneum may be an important mechanism by which penetration enhancers such as dimethylsulfoxide (DMSO) weaken the barrier function of the skin. We have used the potential of mean constraint force (PMCF) method to calculate the free energy of pore formation in ceramide bilayers in both the innate gel phase and in the DMSO-induced fluidized state. Our simulations show that the fluid phase bilayers form archetypal water-filled hydrophilic pores similar to those observed in phospholipid bilayers. In contrast, the rigid gel-phase bilayers develop hydrophobic pores. At the relatively small pore diameters studied here, the hydrophobic pores are empty rather than filled with bulk water, suggesting that they do not compromise the barrier function of ceramide membranes. A phenomenological analysis suggests that these vapor pores are stable, below a critical radius, because the penalty of creating water-vapor and tail-vapor interfaces is lower than that of directly exposing the strongly hydrophobic tails to water. The PMCF free energy profile of the vapor pore supports this analysis. The simulations indicate that high DMSO concentrations drastically impair the barrier function of the skin by strongly reducing the free energy required for pore opening.

On Pseudorapidity Distribution and Speed of Sound in High Energy Heavy Ion Collisions Based on a New Revised Landau Hydrodynamic Model

Directory of Open Access Journals (Sweden)

Li-Na Gao

2015-01-01

Full Text Available We propose a new revised Landau hydrodynamic model to study systematically the pseudorapidity distributions of charged particles produced in heavy ion collisions over an energy range from a few GeV to a few TeV per nucleon pair. The interacting system is divided into three sources, namely, the central, target, and projectile sources, respectively. The large central source is described by the Landau hydrodynamic model and further revised by the contributions of the small target/projectile sources. The modeling results are in agreement with the available experimental data at relativistic heavy ion collider, large hadron collider, and other energies for different centralities. The value of square speed of sound parameter in different collisions has been extracted by us from the widths of rapidity distributions. Our results show that, in heavy ion collisions at energies of the two colliders, the central source undergoes a phase transition from hadronic gas to quark-gluon plasma liquid phase; meanwhile, the target/projectile sources remain in the state of hadronic gas. The present work confirms that the quark-gluon plasma is of liquid type rather than being of a gas type.

Landau-Zener-Stückelberg Interferometry of a Single Electronic Spin in a Noisy Environment

Directory of Open Access Journals (Sweden)

Pu Huang

2011-08-01

Full Text Available We demonstrate quantum coherent control of single electronic spins in a nitron-vacancy center in diamond by exploiting and implementing the general concept of Landau-Zener-Stückelberg interferometry at room temperature. The interferometry manipulates an effective two-level system of electronic spins which are coupled to the nearby ^{14}N nuclear spin in the nitron-vacancy center as well as the nuclear spin bath in the diamond. With a microwave field to control the energy gap between the two levels and an AC field as the time-dependent driving field in Landau-Zener-Stückelberg interferometry, the interference pattern can be generated and controlled by controlling a number of parameters in the fields, corresponding to coherent control of the state of the electronic spins. In particular, the interference pattern is observed oscillating as a function of the frequency of the microwave field. Decays in the visibility of the interference pattern are also observed and well explained by numerical simulation which takes into account the thermal fluctuations arising from the nuclear bath. Therefore, our work also demonstrates that Landau-Zener-Stückelberg interferometry can be used for probing decoherence processes of electronic spins.

A Simple PB/LIE Free Energy Function Accurately Predicts the Peptide Binding Specificity of the Tiam1 PDZ Domain.

Science.gov (United States)

Panel, Nicolas; Sun, Young Joo; Fuentes, Ernesto J; Simonson, Thomas

2017-01-01

PDZ domains generally bind short amino acid sequences at the C-terminus of target proteins, and short peptides can be used as inhibitors or model ligands. Here, we used experimental binding assays and molecular dynamics simulations to characterize 51 complexes involving the Tiam1 PDZ domain and to test the performance of a semi-empirical free energy function. The free energy function combined a Poisson-Boltzmann (PB) continuum electrostatic term, a van der Waals interaction energy, and a surface area term. Each term was empirically weighted, giving a Linear Interaction Energy or "PB/LIE" free energy. The model yielded a mean unsigned deviation of 0.43 kcal/mol and a Pearson correlation of 0.64 between experimental and computed free energies, which was superior to a Null model that assumes all complexes have the same affinity. Analyses of the models support several experimental observations that indicate the orientation of the α 2 helix is a critical determinant for peptide specificity. The models were also used to predict binding free energies for nine new variants, corresponding to point mutants of the Syndecan1 and Caspr4 peptides. The predictions did not reveal improved binding; however, they suggest that an unnatural amino acid could be used to increase protease resistance and peptide lifetimes in vivo . The overall performance of the model should allow its use in the design of new PDZ ligands in the future.

A Simple PB/LIE Free Energy Function Accurately Predicts the Peptide Binding Specificity of the Tiam1 PDZ Domain

Directory of Open Access Journals (Sweden)

Nicolas Panel

2017-09-01

Full Text Available PDZ domains generally bind short amino acid sequences at the C-terminus of target proteins, and short peptides can be used as inhibitors or model ligands. Here, we used experimental binding assays and molecular dynamics simulations to characterize 51 complexes involving the Tiam1 PDZ domain and to test the performance of a semi-empirical free energy function. The free energy function combined a Poisson-Boltzmann (PB continuum electrostatic term, a van der Waals interaction energy, and a surface area term. Each term was empirically weighted, giving a Linear Interaction Energy or “PB/LIE” free energy. The model yielded a mean unsigned deviation of 0.43 kcal/mol and a Pearson correlation of 0.64 between experimental and computed free energies, which was superior to a Null model that assumes all complexes have the same affinity. Analyses of the models support several experimental observations that indicate the orientation of the α2 helix is a critical determinant for peptide specificity. The models were also used to predict binding free energies for nine new variants, corresponding to point mutants of the Syndecan1 and Caspr4 peptides. The predictions did not reveal improved binding; however, they suggest that an unnatural amino acid could be used to increase protease resistance and peptide lifetimes in vivo. The overall performance of the model should allow its use in the design of new PDZ ligands in the future.

Landau levels on a torus

OpenAIRE

Enrico OnofriDipartimento di Fisica, Universita` di Parma, and INFN, Gruppo Collegato di Parma, Parma, Italy

2015-01-01

Landau levels have represented a very rich field of research, which has gained widespread attention after their application to quantum Hall effect. In a particular gauge, the holomorphic gauge, they give a physical implementation of Bargmann's Hilbert space of entire functions. They have also been recognized as a natural bridge between Feynman's path integral and Geometric Quantization. We discuss here some mathematical subtleties involved in the formulation of the problem when one tries to s...

Gyrokinetic linearized Landau collision operator

DEFF Research Database (Denmark)

Madsen, Jens

2013-01-01

, which is important in multiple ion-species plasmas. Second, the equilibrium operator describes drag and diffusion of the magnetic field aligned component of the vorticity associated with the E×B drift. Therefore, a correct description of collisional effects in turbulent plasmas requires the equilibrium......The full gyrokinetic electrostatic linearized Landau collision operator is calculated including the equilibrium operator, which represents the effect of collisions between gyrokinetic Maxwellian particles. First, the equilibrium operator describes energy exchange between different plasma species...... operator, even for like-particle collisions....

Mechanism of active transport: free energy dissipation and free energy transduction.

OpenAIRE

Tanford, C

1982-01-01

The thermodynamic pathway for "chemiosmotic" free energy transduction in active transport is discussed with an ATP-driven Ca2+ pump as an illustrative example. Two innovations are made in the analysis. (i) Free energy dissipated as heat is rigorously excluded from overall free energy bookkeeping by focusing on the dynamic equilibrium state of the chemiosmotic process. (ii) Separate chemical potential terms for free energy donor and transported ions are used to keep track of the thermodynamic ...

Virtual substitution scan via single-step free energy perturbation.

Science.gov (United States)

Chiang, Ying-Chih; Wang, Yi

2016-02-05

With the rapid expansion of our computing power, molecular dynamics (MD) simulations ranging from hundreds of nanoseconds to microseconds or even milliseconds have become increasingly common. The majority of these long trajectories are obtained from plain (vanilla) MD simulations, where no enhanced sampling or free energy calculation method is employed. To promote the 'recycling' of these trajectories, we developed the Virtual Substitution Scan (VSS) toolkit as a plugin of the open-source visualization and analysis software VMD. Based on the single-step free energy perturbation (sFEP) method, VSS enables the user to post-process a vanilla MD trajectory for a fast free energy scan of substituting aryl hydrogens by small functional groups. Dihedrals of the functional groups are sampled explicitly in VSS, which improves the performance of the calculation and is found particularly important for certain groups. As a proof-of-concept demonstration, we employ VSS to compute the solvation free energy change upon substituting the hydrogen of a benzene molecule by 12 small functional groups frequently considered in lead optimization. Additionally, VSS is used to compute the relative binding free energy of four selected ligands of the T4 lysozyme. Overall, the computational cost of VSS is only a fraction of the corresponding multi-step FEP (mFEP) calculation, while its results agree reasonably well with those of mFEP, indicating that VSS offers a promising tool for rapid free energy scan of small functional group substitutions. This article is protected by copyright. All rights reserved. © 2016 Wiley Periodicals, Inc.

Finite-temperature effects in helical quantum turbulence

Science.gov (United States)

Clark Di Leoni, Patricio; Mininni, Pablo D.; Brachet, Marc E.

2018-04-01

We perform a study of the evolution of helical quantum turbulence at different temperatures by solving numerically the Gross-Pitaevskii and the stochastic Ginzburg-Landau equations, using up to 40963 grid points with a pseudospectral method. We show that for temperatures close to the critical one, the fluid described by these equations can act as a classical viscous flow, with the decay of the incompressible kinetic energy and the helicity becoming exponential. The transition from this behavior to the one observed at zero temperature is smooth as a function of temperature. Moreover, the presence of strong thermal effects can inhibit the development of a proper turbulent cascade. We provide Ansätze for the effective viscosity and friction as a function of the temperature.

Origin of the incommensurate phase of quartz. Pt. 2

International Nuclear Information System (INIS)

Vallade, M.; Berge, B.; Dolino, G.

1992-01-01

The results of an inelastic neutron scattering investigation of the low-frequency modes of β quartz, described in the preceding paper [1], are interpreted using two different approaches: i) a phenomenological model directly derived from a Landau-Ginzburg type expansion of the free energy; this model is only relevant for the long-wavelength part of the phonon spectrum but it allows an easy connection with thermodynamical data; ii) a microscopic lattice dynamical model, which is an extension of the Grimm-Dorner model; it is shown that the main properties of the low-frequency phonon spectrum and, in particular, the softening of a Σ 2 mode at an incommensurate wave vector close to the zone-center, can be understood by analysing the motions of nearly rigid SiO 4 tetrahedra. (orig.)

Free energy of activation. Definition, properties, and dependent variables with special reference to linear free energy relations

International Nuclear Information System (INIS)

Levine, R.D.

1979-01-01

The reaction rate constant is expressed as Z exp(-G/sub a//RT). Z is the binary collision frequency. G/sub a/, the free energy of activation, is shown to be the difference between the free energy of the reactive reactants and the free energy of all reactants. The results are derived from both a statistical mechanical and a collision theoretic point of view. While the later is more suitable for an ab-initio computation of the reaction rate, it is the former that lends itself to the search of systematics and of correlations and to compaction of data. Different thermodynamic-like routes to the characterization of G/sub a/ are thus explored. The two most promising ones appear to be the use of thermodynamic type cycles and the changes of dependent variables using the Legendre transform technique. The dependence of G/sub a/ on ΔG 0 , the standard free energy change in the reaction, is examined from the later point of view. It is shown that one can rigorously express this dependence as G/sub a/ = αΔG 0 + G/sub a/ 0 M(α). Here α is the Bronsted slope, α = -par. delta ln k(T)/par. delta(ΔG 0 /RT), G/sub a/ 0 is independent of ΔG 0 and M(α), the Legendre transform of G/sub a/, is a function only of α. For small changes in ΔG 0 , the general result reduces to the familiar ''linear'' free energy relation delta G/sub a/ = α delta ΔG 0 . It is concluded from general considerations that M(α) is a symmetric, convex function of α and hence that α is a monotonically increasing function of ΔG 0 . Experimental data appear to conform well to the form α = 1/[1 + exp(-ΔG 0 /G/sub s/ 0 )]. A simple interpretation of the ΔG 0 dependence of G/sub a/, based on an interpolation of the free energy from that of the reagents to that of the products, is offered. 4 figures, 69 references

Landau levels and shallow donor states in GaAs/AlGaAs multiple quantum wells at mega-gauss magnetic fields

Energy Technology Data Exchange (ETDEWEB)

Zybert, M. [Univ. of Rzeszow, Pigonia (Poland); Marchweka, M. [Univ. of Rzeszow, Pigonia (Poland); Sheregii, E. M. [Center for Microelectronics and Nanotechnology, University of Rzeszow; Rickel, Dwight Gene [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Betts, Jonathan Bobby [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Balakirev, Fedor Fedorovich [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Gordon, Michael Joseph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Stier, Andreas V. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Mielke, Charles H. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pfeffer, P. [Polish Academy of Sciences (PAS), Warsaw (Poland); Zawadski, W. [Polish Academy of Sciences (PAS), Warsaw (Poland)

2017-03-06

Landau levels and shallow donor states in multiple GaAs/AlGaAs quantum wells (MQWs) are investigated by means of the cyclotron resonance at mega-gauss magnetic fields. Measurements of magneto-optical transitions were performed in pulsed fields up to 140 T and temperatures from 6 to 300 K. The 14 x 14 P.p band model for GaAs is used to interpret free-electron transitions in a magnetic field. Temperature behavior of the observed resonant structure indicates, in addition to the free-electron Landau states, contributions of magneto-donor states in the GaAs wells and possibly in the AlGaAs barriers. The magneto-donor energies are calculated using a variational procedure suitable for high magnetic fields and accounting for conduction band nonparabolicity in GaAs. It is shown that the above states, including their spin splitting, allow one to interpret the observed mengeto-optical transitions in MQWs in the middle infrared region. Our experimental and theoretical results at very high magnetic fields are consistent with the picture used previously for GaAs/AlGaAs MQWs at lower magnetic fields.

Free energy from molecular dynamics with multiple constraints

NARCIS (Netherlands)

den Otter, Wouter K.; Briels, Willem J.

2000-01-01

In molecular dynamics simulations of reacting systems, the key step to determining the equilibrium constant and the reaction rate is the calculation of the free energy as a function of the reaction coordinate. Intuitively the derivative of the free energy is equal to the average force needed to

A Study of the Nonlinear Landau Damping in the Fourier Transformed VelocitySpace

Czech Academy of Sciences Publication Activity Database

Sedláček, Zdeněk

2002-01-01

Roč. 34, 1-2 (2002), s. 63-87 ISSN 0041-1450 Institutional research plan: CEZ:AV0Z2043910 Keywords : Landau damping * Van Kampen-Case eigenmodes * BGK modes * free streaming Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 0.453, year: 2002

Calabi-Yau structures on categories of matrix factorizations

Science.gov (United States)

Shklyarov, Dmytro

2017-09-01

Using tools of complex geometry, we construct explicit proper Calabi-Yau structures, that is, non-degenerate cyclic cocycles on differential graded categories of matrix factorizations of regular functions with isolated critical points. The formulas involve the Kapustin-Li trace and its higher corrections. From the physics perspective, our result yields explicit 'off-shell' models for categories of topological D-branes in B-twisted Landau-Ginzburg models.

Superconductivity in domains with corners

DEFF Research Database (Denmark)

Bonnaillie-Noel, Virginie; Fournais, Søren

2007-01-01

We study the two-dimensional Ginzburg-Landau functional in a domain with corners for exterior magnetic field strengths near the critical field where the transition from the superconducting to the normal state occurs. We discuss and clarify the definition of this field and obtain a complete...... asymptotic expansion for it in the large $\\kappa$ regime. Furthermore, we discuss nucleation of superconductivity at the boundary....

The Concentration Dependence of the (Delta)s Term in the Gibbs Free Energy Function: Application to Reversible Reactions in Biochemistry

Science.gov (United States)

Gary, Ronald K.

2004-01-01

The concentration dependence of (delta)S term in the Gibbs free energy function is described in relation to its application to reversible reactions in biochemistry. An intuitive and non-mathematical argument for the concentration dependence of the (delta)S term in the Gibbs free energy equation is derived and the applicability of the equation to…

Multiparticle phenomena and Landau damping

International Nuclear Information System (INIS)

Talman, R.

1987-01-01

The purpose of this paper is to survey various methods of studying multiparticle phenomena in accelerators. Both experimental and theoretical methods are described. An effort has been made to emphasize the intuitive and qualitative aspects rather than the detailed mathematics. Some of the terms or concepts to be explained are coherent and incoherent tunes, normal modes, Landau damping, beam-transfer functions, and feedback. These are all of daily importance in the interpretation of colliding-beam observations and the control of performance

Grain-boundary free energy in an assembly of elastic disks.

Science.gov (United States)

Lusk, Mark T; Beale, Paul D

2004-02-01

Grain-boundary free energy is estimated as a function of misoriention for symmetric tilt boundaries in an assembly of nearly hard disks. Fluctuating cell theory is used to accomplish this since the most common techniques for calculating interfacial free energy cannot be applied to such assemblies. The results are analogous to those obtained using a Leonard-Jones potential, but in this case the interfacial energy is dominated by an entropic contribution. Disk assemblies colorized with free and specific volume elucidate differences between these two characteristics of boundary structure. Profiles are also provided of the Helmholtz and Gibbs free energies as a function of distance from the grain boundaries. Low angle grain boundaries are shown to follow the classical relationship between dislocation orientation/spacing and misorientation angle.

The Weakly Nonlinear Magnetorotational Instability in a Local Geometry

Science.gov (United States)

Clark, S. E.; Oishi, Jeffrey S.

2017-05-01

The magnetorotational instability (MRI) is a fundamental process of accretion disk physics, but its saturation mechanism remains poorly understood despite considerable theoretical and computational effort. We present a multiple-scales analysis of the non-ideal MRI in the weakly nonlinear regime—that is, when the most unstable MRI mode has a growth rate asymptotically approaching zero from above. Here, we develop our theory in a local, Cartesian channel. Our results confirm the finding by Umurhan et al. that the perturbation amplitude follows a Ginzburg-Landau equation. We further find that the Ginzburg-Landau equation will arise for the local MRI system with shear-periodic boundary conditions, when the effects of ambipolar diffusion are considered. A detailed force balance for the saturated azimuthal velocity and vertical magnetic field demonstrates that, even when diffusive effects are important, the bulk flow saturates via the combined processes of reducing the background shear and rearranging and strengthening the background vertical magnetic field. We directly simulate the Ginzburg-Landau amplitude evolution for our system, and demonstrate the pattern formation our model predicts on long scales of length- and timescales. We compare the weakly nonlinear theory results to a direct numerical simulation of the MRI in a thin-gap Taylor Couette flow.

A self-interaction-free local hybrid functional: Accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues

International Nuclear Information System (INIS)

Schmidt, Tobias; Kümmel, Stephan; Kraisler, Eli; Makmal, Adi; Kronik, Leeor

2014-01-01

We present and test a new approximation for the exchange-correlation (xc) energy of Kohn-Sham density functional theory. It combines exact exchange with a compatible non-local correlation functional. The functional is by construction free of one-electron self-interaction, respects constraints derived from uniform coordinate scaling, and has the correct asymptotic behavior of the xc energy density. It contains one parameter that is not determined ab initio. We investigate whether it is possible to construct a functional that yields accurate binding energies and affords other advantages, specifically Kohn-Sham eigenvalues that reliably reflect ionization potentials. Tests for a set of atoms and small molecules show that within our local-hybrid form accurate binding energies can be achieved by proper optimization of the free parameter in our functional, along with an improvement in dissociation energy curves and in Kohn-Sham eigenvalues. However, the correspondence of the latter to experimental ionization potentials is not yet satisfactory, and if we choose to optimize their prediction, a rather different value of the functional's parameter is obtained. We put this finding in a larger context by discussing similar observations for other functionals and possible directions for further functional development that our findings suggest

Exploring the ab initio/classical free energy perturbation method: The hydration free energy of water

International Nuclear Information System (INIS)

Sakane, Shinichi; Yezdimer, Eric M.; Liu, Wenbin; Barriocanal, Jose A.; Doren, Douglas J.; Wood, Robert H.

2000-01-01

The ab initio/classical free energy perturbation (ABC-FEP) method proposed previously by Wood et al. [J. Chem. Phys. 110, 1329 (1999)] uses classical simulations to calculate solvation free energies within an empirical potential model, then applies free energy perturbation theory to determine the effect of changing the empirical solute-solvent interactions to corresponding interactions calculated from ab initio methods. This approach allows accurate calculation of solvation free energies using an atomistic description of the solvent and solute, with interactions calculated from first principles. Results can be obtained at a feasible computational cost without making use of approximations such as a continuum solvent or an empirical cavity formation energy. As such, the method can be used far from ambient conditions, where the empirical parameters needed for approximate theories of solvation may not be available. The sources of error in the ABC-FEP method are the approximations in the ab initio method, the finite sample of configurations, and the classical solvent model. This article explores the accuracy of various approximations used in the ABC-FEP method by comparing to the experimentally well-known free energy of hydration of water at two state points (ambient conditions, and 973.15 K and 600 kg/m3). The TIP4P-FQ model [J. Chem. Phys. 101, 6141 (1994)] is found to be a reliable solvent model for use with this method, even at supercritical conditions. Results depend strongly on the ab initio method used: a gradient-corrected density functional theory is not adequate, but a localized MP2 method yields excellent agreement with experiment. Computational costs are reduced by using a cluster approximation, in which ab initio pair interaction energies are calculated between the solute and up to 60 solvent molecules, while multi-body interactions are calculated with only a small cluster (5 to 12 solvent molecules). Sampling errors for the ab initio contribution to

Analysis of generalized negative binomial distributions attached to hyperbolic Landau levels

International Nuclear Information System (INIS)

Chhaiba, Hassan; Demni, Nizar; Mouayn, Zouhair

2016-01-01

To each hyperbolic Landau level of the Poincaré disc is attached a generalized negative binomial distribution. In this paper, we compute the moment generating function of this distribution and supply its atomic decomposition as a perturbation of the negative binomial distribution by a finitely supported measure. Using the Mandel parameter, we also discuss the nonclassical nature of the associated coherent states. Next, we derive a Lévy-Khintchine-type representation of its characteristic function when the latter does not vanish and deduce that it is quasi-infinitely divisible except for the lowest hyperbolic Landau level corresponding to the negative binomial distribution. By considering the total variation of the obtained quasi-Lévy measure, we introduce a new infinitely divisible distribution for which we derive the characteristic function.

Analysis of generalized negative binomial distributions attached to hyperbolic Landau levels

Energy Technology Data Exchange (ETDEWEB)

Chhaiba, Hassan, E-mail: chhaiba.hassan@gmail.com [Department of Mathematics, Faculty of Sciences, Ibn Tofail University, P.O. Box 133, Kénitra (Morocco); Demni, Nizar, E-mail: nizar.demni@univ-rennes1.fr [IRMAR, Université de Rennes 1, Campus de Beaulieu, 35042 Rennes Cedex (France); Mouayn, Zouhair, E-mail: mouayn@fstbm.ac.ma [Department of Mathematics, Faculty of Sciences and Technics (M’Ghila), Sultan Moulay Slimane, P.O. Box 523, Béni Mellal (Morocco)

2016-07-15

To each hyperbolic Landau level of the Poincaré disc is attached a generalized negative binomial distribution. In this paper, we compute the moment generating function of this distribution and supply its atomic decomposition as a perturbation of the negative binomial distribution by a finitely supported measure. Using the Mandel parameter, we also discuss the nonclassical nature of the associated coherent states. Next, we derive a Lévy-Khintchine-type representation of its characteristic function when the latter does not vanish and deduce that it is quasi-infinitely divisible except for the lowest hyperbolic Landau level corresponding to the negative binomial distribution. By considering the total variation of the obtained quasi-Lévy measure, we introduce a new infinitely divisible distribution for which we derive the characteristic function.

A Landau fluid model for dissipative trapped electron modes

International Nuclear Information System (INIS)

Hedrick, C.L.; Leboeuf, J.N.; Sidikman, K.L.

1995-09-01

A Landau fluid model for dissipative trapped electron modes is developed which focuses on an improved description of the ion dynamics. The model is simple enough to allow nonlinear calculations with many harmonics for the times necessary to reach saturation. The model is motivated by a discussion that starts with the gyro-kinetic equation and emphasizes the importance of simultaneously including particular features of magnetic drift resonance, shear, and Landau effects. To ensure that these features are simultaneously incorporated in a Landau fluid model with only two evolution equations, a new approach to determining the closure coefficients is employed. The effect of this technique is to reduce the matching of fluid and kinetic responses to a single variable, rather than two, and to allow focusing on essential features of the fluctuations in question, rather than features that are only important for other types of fluctuations. Radially resolved nonlinear calculations of this model, advanced in time to reach saturation, are presented to partially illustrate its intended use. These calculations have a large number of poloidal and toroidal harmonics to represent the nonlinear dynamics in a converged steady state which includes cascading of energy to both short and long wavelengths

Nonphonon mechanism of superconductivity in compounds of transition metals

International Nuclear Information System (INIS)

Ivanov, V.A.; Zaitsev, R.O.

1989-01-01

The kinematical mechanism of superconductivity is applied to the Emery-Hirsch model for the CuO 2 and BiO 3 layers. A superconducting region due to strong kinematic interaction of p- and s, d-electrons are determined as a function of n p and n s,d -degrees of non-filling of 2p 6 ,6s 2 ,3d 10 shells of O 2 - ,Bi 3 + ,Cu + . The T c is calculated taking into account the spin flip relaxation time. Magnetostatic properties of a superconducting state in a weak magnetic field are investigated. Coefficients of the Ginzburg-Landau equation are calculated. The ground state energy of the Emery-Hirsch model is also calculated

Standard free energy of formation of iron iodide

Science.gov (United States)

Khandkar, A.; Tare, V. B.; Wagner, J. B., Jr.

1983-01-01

An experiment is reported where silver iodide is used to determine the standard free energy of formation of iron iodide. By using silver iodide as a solid electrolyte, a galvanic cell, Ag/AgI/Fe-FeI2, is formulated. The standard free energy of formation of AgI is known, and hence it is possible to estimate the standard free energy of formation of FeI2 by measuring the open-circuit emf of the above cell as a function of temperature. The free standard energy of formation of FeI2 determined by this method is -38784 + 24.165T cal/mol. It is estimated that the maximum error associated with this method is plus or minus 2500 cal/mol.

Landau-Zener transitions and Dykhne formula in a simple continuum model

Science.gov (United States)

Dunham, Yujin; Garmon, Savannah

The Landau-Zener model describing the interaction between two linearly driven discrete levels is useful in describing many simple dynamical systems; however, no system is completely isolated from the surrounding environment. Here we examine a generalizations of the original Landau-Zener model to study simple environmental influences. We consider a model in which one of the discrete levels is replaced with a energy continuum, in which we find that the survival probability for the initially occupied diabatic level is unaffected by the presence of the continuum. This result can be predicted by assuming that each step in the evolution for the diabatic state evolves independently according to the Landau-Zener formula, even in the continuum limit. We also show that, at least for the simplest model, this result can also be predicted with the natural generalization of the Dykhne formula for open systems. We also observe dissipation as the non-escape probability from the discrete levels is no longer equal to one.

Two-dimensional quantisation of the quasi-Landau hydrogenic spectrum

International Nuclear Information System (INIS)

Gallas, J.A.C.; O'Connell, R.F.

1982-01-01

Based on the two-dimensional WKB model, an equation is derived from which the non-relativistic quasi-Landau energy spectrum of hydrogen-like atoms may be easily obtained. In addition, the solution of radial equations in the WKB approximation and its relation with models recently used to fit experimental data are discussed. (author)

Tracing symmetries and their breakdown through phases of heterotic (2,2) compactifications

Energy Technology Data Exchange (ETDEWEB)

Blaszczyk, Michael [Johannes-Gutenberg-Universität,Staudingerweg 7, 55099 Mainz (Germany); Oehlmann, Paul-Konstantin [Bethe Center for Theoretical Physics, Physikalisches Institut der Universität Bonn,Nussallee 12, 53115 Bonn (Germany)

2016-04-12

We are considering the class of heterotic N=(2,2) Landau-Ginzburg orbifolds with 9 fields corresponding to A{sub 1}{sup 9} Gepner models. We classify all of its Abelian discrete quotients and obtain 152 inequivalent models closed under mirror symmetry with N=1,2 and 4 supersymmetry in 4D. We compute the full massless matter spectrum at the Fermat locus and find a universal relation satisfied by all models. In addition we give prescriptions of how to compute all quantum numbers of the 4D states including their discrete R-symmetries. Using mirror symmetry of rigid geometries we describe orbifold and smooth Calabi-Yau phases as deformations away from the Landau-Ginzburg Fermat locus in two explicit examples. We match the non-Fermat deformations to the 4D Higgs mechanism and study the conservation of R-symmetries. The first example is a ℤ{sub 3} orbifold on an E{sub 6} lattice where the R-symmetry is preserved. Due to a permutation symmetry of blow-up and torus Kähler parameters the R-symmetry stays conserved also in the smooth Calabi-Yau phase. In the second example the R-symmetry gets broken once we deform to the geometric ℤ{sub 3}×ℤ{sub 3,free} orbifold regime.

Tracing symmetries and their breakdown through phases of heterotic (2,2) compactifications

International Nuclear Information System (INIS)

Blaszczyk, Michael; Oehlmann, Paul-Konstantin

2016-01-01

We are considering the class of heterotic N=(2,2) Landau-Ginzburg orbifolds with 9 fields corresponding to A 1 9 Gepner models. We classify all of its Abelian discrete quotients and obtain 152 inequivalent models closed under mirror symmetry with N=1,2 and 4 supersymmetry in 4D. We compute the full massless matter spectrum at the Fermat locus and find a universal relation satisfied by all models. In addition we give prescriptions of how to compute all quantum numbers of the 4D states including their discrete R-symmetries. Using mirror symmetry of rigid geometries we describe orbifold and smooth Calabi-Yau phases as deformations away from the Landau-Ginzburg Fermat locus in two explicit examples. We match the non-Fermat deformations to the 4D Higgs mechanism and study the conservation of R-symmetries. The first example is a ℤ 3 orbifold on an E 6 lattice where the R-symmetry is preserved. Due to a permutation symmetry of blow-up and torus Kähler parameters the R-symmetry stays conserved also in the smooth Calabi-Yau phase. In the second example the R-symmetry gets broken once we deform to the geometric ℤ 3 ×ℤ 3,free orbifold regime.

Tracing symmetries and their breakdown through phases of heterotic (2,2) compactifications

Science.gov (United States)

Blaszczyk, Michael; Oehlmann, Paul-Konstantin

2016-04-01

We are considering the class of heterotic N=(2,2) Landau-Ginzburg orbifolds with 9 fields corresponding to A 1 9 Gepner models. We classify all of its Abelian discrete quotients and obtain 152 inequivalent models closed under mirror symmetry with N=1 , 2 and 4 supersymmetry in 4D. We compute the full massless matter spectrum at the Fermat locus and find a universal relation satisfied by all models. In addition we give prescriptions of how to compute all quantum numbers of the 4D states including their discrete R-symmetries. Using mirror symmetry of rigid geometries we describe orbifold and smooth Calabi-Yau phases as deformations away from the Landau-Ginzburg Fermat locus in two explicit examples. We match the non-Fermat deformations to the 4D Higgs mechanism and study the conservation of R-symmetries. The first example is a Z_3 orbifold on an E6 lattice where the R-symmetry is preserved. Due to a permutation symmetry of blow-up and torus Kähler parameters the R-symmetry stays conserved also in the smooth Calabi-Yau phase. In the second example the R-symmetry gets broken once we deform to the geometric Z_3× Z_{3,free} orbifold regime.

Aperiodic superconducting phase boundary of periodic micronetworks in a magnetic field

International Nuclear Information System (INIS)

Nori, F.; Niu, Q.

1988-01-01

We study flux quantization in periodic arrays with two elementary cells having an irrational ratio of areas. In particular, we calculate the superconducting-normal phase boundary T/sub c/(H) and we analyze the origin of its overall and fine structure as a function of the network size. We discuss our theoretical results, exploiting the electronic tight-binding analogy to the Ginzburg-Landau equations, and compare them with the experimental ones

Magnon specific heat and free energy of Heisenberg ferromagnetic single-walled nanotubes: Green's function approach

Energy Technology Data Exchange (ETDEWEB)

Mi, Bin-Zhou, E-mail: mbzfjerry2008@126.com [Department of Basic Curriculum, North China Institute of Science and Technology, Beijing 101601 (China); Department of Physics, School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083 (China); Zhai, Liang-Jun [The School of Mathematics and Physics, Jiangsu University of Technology, Changzhou 213001 (China); Hua, Ling-Ling [Department of Basic Curriculum, North China Institute of Science and Technology, Beijing 101601 (China)

2016-01-15

The effect of magnetic spin correlation on the thermodynamic properties of Heisenberg ferromagnetic single-walled nanotubes are comprehensively investigated by use of the double-time Green's function method. The influence of temperature, spin quantum number, diameter of the tube, anisotropy strength and external magnetic field to internal energy, free energy, and magnon specific heat are carefully calculated. Compared to the mean field approximation, the consideration of the magnetic correlation effect significantly improves the internal energy values at finite temperature, while it does not so near zero temperature, and this effect is related to the diameter of the tube, anisotropy strength, and spin quantum number. The magnetic correlation effect lowers the internal energy at finite temperature. As a natural consequence of the reduction of the internal energy, the specific heat is reduced, and the free energy is elevated. - Highlights: • Magnon specific heat and free energy of Heisenberg ferromagnetic single-walled nanotubes (HFM-SWNTs) are investigated. • The magnetic correlations effect has a considerable contribution to the thermodynamics properties of HFM-SWNTs. • Magnetic correlation effects are always to lower the internal energy at finite temperature. • At Curie point, magnetic correlation energy is much less than zero. • The peak values of magnon specific heat curves rise and shift right towards higher temperatures with the diameter of tubes, the anisotropy strength, and the spin quantum number rising.

Introduction to superconductivity

CERN Document Server

Tinkham, Michael

1975-01-01

Introductory survey ; the BCS theory ; magnetic properties of type I superconductors ; Ginzburg-Landau theory ; magnetic properties of type II superconductors ; Josephson effect and macroscopic quantum phenomena ; fluctuation effects ; concluding topics.

Quantum field kinetics of QCD quark-gluon transport theory for light-cone dominated processes

CERN Document Server

Kinder-Geiger, Klaus

1996-01-01

A quantum kinetic formalism is developed to study the dynamical interplay of quantum and statistical-kinetic properties of non-equilibrium multi-parton systems produced in high-energy QCD processes. The approach provides the means to follow the quantum dynamics in both space-time and energy-momentum, starting from an arbitrary initial configuration of high-momentum quarks and gluons. Using a generalized functional integral representation and adopting the `closed-time-path' Green function techniques, a self-consistent set of equations of motions is obtained: a Ginzburg-Landau equation for a possible color background field, and Dyson-Schwinger equations for the 2-point functions of the gluon and quark fields. By exploiting the `two-scale nature' of light-cone dominated QCD processes, i.e. the separation between the quantum scale that specifies the range of short-distance quantum fluctuations, and the kinetic scale that characterizes the range of statistical binary inter- actions, the quantum-field equations of ...

Unconventional superconductors. Anisotropy and multiband effects

Energy Technology Data Exchange (ETDEWEB)

Askerzade, Iman [Ankara Univ. (Turkey). Center of Excellence of Superconductivity Research of Turkey; Azerbaijan National Academy of Sciences (Azerbaijan). Inst. of Physics

2012-07-01

This book deals with the new class of materials unconventional superconductors, cuprate compounds, borocarbides, magnesium-diboride and oxypnictides. It gives a systematical review of physical properties of novel superconductors. There is an increasing number of fundamental properties of these compounds which are relevant to future applications, opening new possibilities. The theoretical explanation is presented as generalization of Ginzburg-Landau phenomenology and microscopical Eliashberg theory for multiband and anisotropic superconductors. Various applications of this approaches and time dependent version of two-band Ginzburg-Landau theory are considered. An important topic are fluctuations in two-band and anisotropic superconductors. Significant new results on current problems are presented to stimulate further research. Numerous illustrations, diagrams and tables make this book useful as a reference for students and researchers. (orig.)

Unconventional superconductors anisotropy and multiband effects

CERN Document Server

Askerzade, Iman

2012-01-01

This book deals with the new class of materials unconventional superconductors, cuprate compounds, borocarbides, magnesium-diboride and oxypnictides. It gives a systematical review of physical properties of novel  superconductors. There is an increasing number of fundamental properties of these compounds which are relevant to future applications, opening new possibilities. The theoretical explanation is presented as generalization of Ginzburg-Landau phenomenology and microscopical Eliashberg theory for multiband and anisotropic superconductors. Various applications of this approachs and time dependent version of two-band Ginzburg-Landau theory are considered. An important topic are fluctuations in two-band and anisotropic superconductors. Significant  new results on current problems are presented to stimulate further research. Numerous illustrations, diagrams and tables make this book useful as a reference for students and researchers.

Free energy of the Lennard-Jones solid

NARCIS (Netherlands)

Hoef, van der M.A.

2000-01-01

We have determined a simple expression for the absolute Helmholtz free energy of the fcc Lennard-Jones solid from molecular dynamics simulations. The pressure and energy data from these simulations have been fitted to a simple functional form (18 parameters) for densities ranging from around

Free energy surfaces in the superconducting mixed state

Science.gov (United States)

Finnemore, D. K.; Fang, M. M.; Bansal, N. P.; Farrell, D. E.

1989-01-01

The free energy surface for Tl2Ba2Ca2Cu3O1O has been measured as a function of temperature and magnetic field to determine the fundamental thermodynamic properties of the mixed state. The change in free energy, G(H)-G(O), is found to be linear in temperature over a wide range indicating that the specific heat is independent of field.

Scalability of Direct Solver for Non-stationary Cahn-Hilliard Simulations with Linearized time Integration Scheme

KAUST Repository

Woźniak, M.

2016-06-02

We study the features of a new mixed integration scheme dedicated to solving the non-stationary variational problems. The scheme is composed of the FEM approximation with respect to the space variable coupled with a 3-leveled time integration scheme with a linearized right-hand side operator. It was applied in solving the Cahn-Hilliard parabolic equation with a nonlinear, fourth-order elliptic part. The second order of the approximation along the time variable was proven. Moreover, the good scalability of the software based on this scheme was confirmed during simulations. We verify the proposed time integration scheme by monitoring the Ginzburg-Landau free energy. The numerical simulations are performed by using a parallel multi-frontal direct solver executed over STAMPEDE Linux cluster. Its scalability was compared to the results of the three direct solvers, including MUMPS, SuperLU and PaSTiX.

Electrically pumped graphene-based Landau-level laser

Science.gov (United States)

Brem, Samuel; Wendler, Florian; Winnerl, Stephan; Malic, Ermin

2018-03-01

Graphene exhibits a nonequidistant Landau quantization with tunable Landau-level (LL) transitions in the technologically desired terahertz spectral range. Here, we present a strategy for an electrically driven terahertz laser based on Landau-quantized graphene as the gain medium. Performing microscopic modeling of the coupled electron, phonon, and photon dynamics in such a laser, we reveal that an inter-LL population inversion can be achieved resulting in the emission of coherent terahertz radiation. The presented paper provides a concrete recipe for the experimental realization of tunable graphene-based terahertz laser systems.

Polarization waves in dielectric films with spatial dispersion

International Nuclear Information System (INIS)

Jardin, Jean-Pierre; Moch, Philippe; Dvorak, Vladimir

2002-01-01

The polarization waves propagating in a slab-shaped or in a semi-infinite dielectric medium with spatial dispersion characterized by a volume free-energy density and by a boundary-surface energy density are studied, taking into account Maxwell's equations, in the framework of the Landau-Ginzburg formalism. It is shown that two independent extrapolation lengths providing for the required additional boundary conditions need to be specified at each surface limiting the medium. Complete calculations are performed in the electrostatic approximation: they provide evidence of the differences between the transverse in-plane polarized modes (s modes) and the sagittal plane polarized modes (p modes). True surface modes exist only in the case of negative extrapolation lengths. A detailed analysis of the symmetry properties of the surface and of the guided bulk modes in a slab is developed. Finally, our results are compared with those from previous models describing the boundary conditions in media where spatial dispersion is present. (author)

Strongly enhanced flow effect from Landau-Vlasov versus Vlasov-Uehling-Uhlenbeck approach

International Nuclear Information System (INIS)

Gregoire, C.; Remaud, B.; Sebille, F.; Schuck, P.

1988-01-01

The simulation of the collision integral in the Landau-Vlasov approach for heavy ion collisions is examined. It turns out that quantities like the nucleon mean free path can be compared with parallel ensemble models. Convergency of results with time step and sampling is clearly established. Quadratic quantities, like the internal pressure, are found to be strongly underestimated in parallel ensemble models

Dynamical symmetry breaking as an alternative for Higg's mechanics

International Nuclear Information System (INIS)

Shellard, R.C.

1979-01-01

The effective action of a theory where dynamical symmetry breaking occurs is expanded in terms of loops, producing a Ginzburg-Landau-like Lagrangian reproducing fenomenologically the Higg's potencial. (L.C.) [pt

In memory of Vitaly Lazarevich Ginzburg(4 October 1916 - 8 November 2009)

Science.gov (United States)

2009-12-01

The Editorial Board of the journal "Uspekhi Fizicheskikh Nauk" ["Physics-Uspekhi"] deeply regrets to announce that VITALY LAZAREVICH GINZBURG, a hugely important scientist and outstanding Russian citizen, a teacher and educator, Editor-in-Chief of our journal, passed away on 8 November 2009.

Infrared spectroscopy of Landau levels of graphene.

Science.gov (United States)

Jiang, Z; Henriksen, E A; Tung, L C; Wang, Y-J; Schwartz, M E; Han, M Y; Kim, P; Stormer, H L

2007-05-11

We report infrared studies of the Landau level (LL) transitions in single layer graphene. Our specimens are density tunable and show in situ half-integer quantum Hall plateaus. Infrared transmission is measured in magnetic fields up to B=18 T at selected LL fillings. Resonances between hole LLs and electron LLs, as well as resonances between hole and electron LLs, are resolved. Their transition energies are proportional to sqrt[B], and the deduced band velocity is (-)c approximately equal to 1.1 x 10(6) m/s. The lack of precise scaling between different LL transitions indicates considerable contributions of many-particle effects to the infrared transition energies.

Lev Landau and the concept of neutron stars

International Nuclear Information System (INIS)

Yakovlev, Dmitrii G; Haensel, Pawel; Baym, Gordon; Pethick, Christopher

2013-01-01

We review Lev Landau's role in the history of neutron star physics in the 1930s. According to the recollections of Rosenfeld (Proc. 16th Solvay Conference on Physics, 1974, p. 174), Landau improvised the concept of neutron stars in a discussion with Bohr and Rosenfeld just after the news of the discovery of the neutron reached Copenhagen in February 1932. We present arguments that the discussion must have taken place in March 1931, before the discovery of the neutron, and that they, in fact, discussed the paper written by Landau in Zurich in February 1931 but not published until February 1932 (Phys. Z. Sowjetunion 1, 285). In this paper, Landau mentioned the possible existence of dense stars that look like one giant nucleus; this could be regarded as an early theoretical prediction or anticipation of neutron stars, albeit prior to the discovery of the neutron. The coincidence of the dates of the neutron discovery and the publication of the paper has led to an erroneous association of Landau's paper with the discovery of the neutron. In passing, we outline Landau's contribution to the theory of white dwarfs and to the hypothesis of stars with neutron cores. (from the history of physics)

1/J2 corrections to BMN energies from the quantum long range Landau-Lifshitz model

International Nuclear Information System (INIS)

Minahan, Joseph A.; Tirziu, Alin; Tseytlin, Arkady A.

2005-01-01

In a previous paper [hep-th/0509071], it was shown that quantum 1/J corrections to the BMN spectrum in an effective Landau-Lifshitz (LL) model match with the results from the one-loop gauge theory, provided one chooses an appropriate regularization. In this paper we continue this study for the conjectured Bethe ansatz for the long range spin chain representing perturbative large-N N = 4 Super Yang-Mills in the SU(2) sector, and the 'quantum string' Bethe ansatz for its string dual. The comparison is carried out for corrections to BMN energies up to order λ-tilde 3 in the effective expansion parameter λ-tilde = λ/J 2 . After determining the 'gauge-theory' LL action to order λ-tilde 3 , which is accomplished indirectly by fixing the coefficients in the LL action so that the energies of circular strings match with the energies found using the Bethe ansatz, we find perfect agreement. We interpret this as further support for an underlying integrability of the system. We then consider the 'string-theory' LL action which is a limit of the classical string action representing fast string motion on an S 3 subspace of S 5 and compare the resulting λ-tilde 3 /J 2 corrections to the prediction of the 'string' Bethe ansatz. As in the gauge case, we find precise matching. This indicates that the LL hamiltonian supplemented with a normal ordering prescription and ζ-function regularization reproduces the full superstring result for the 1/J 2 corrections, and also signifies that the string Bethe ansatz does describe the quantum BMN string spectrum to order 1/J 2 . We also comment on using the quantum LL approach to determine the non-analytic contributions in λ that are behind the strong to weak coupling interpolation between the string and gauge results

Variational Approach to Enhanced Sampling and Free Energy Calculations

Science.gov (United States)

Valsson, Omar; Parrinello, Michele

2014-08-01

The ability of widely used sampling methods, such as molecular dynamics or Monte Carlo simulations, to explore complex free energy landscapes is severely hampered by the presence of kinetic bottlenecks. A large number of solutions have been proposed to alleviate this problem. Many are based on the introduction of a bias potential which is a function of a small number of collective variables. However constructing such a bias is not simple. Here we introduce a functional of the bias potential and an associated variational principle. The bias that minimizes the functional relates in a simple way to the free energy surface. This variational principle can be turned into a practical, efficient, and flexible sampling method. A number of numerical examples are presented which include the determination of a three-dimensional free energy surface. We argue that, beside being numerically advantageous, our variational approach provides a convenient and novel standpoint for looking at the sampling problem.

Verifying the Kugo-Ojima Confinement Criterion in Landau Gauge Yang-Mills Theory

International Nuclear Information System (INIS)

Watson, Peter; Alkofer, Reinhard

2001-01-01

Expanding the Landau gauge gluon and ghost two-point functions in a power series we investigate their infrared behavior. The corresponding powers are constrained through the ghost Dyson-Schwinger equation by exploiting multiplicative renormalizability. Without recourse to any specific truncation we demonstrate that the infrared powers of the gluon and ghost propagators are uniquely related to each other. Constraints for these powers are derived, and the resulting infrared enhancement of the ghost propagator signals that the Kugo-Ojima confinement criterion is fulfilled in Landau gauge Yang-Mills theory

A simple free energy for the isotropic-nematic phase transition of rods

NARCIS (Netherlands)

Tuinier, R.

2016-01-01

A free energy expression is proposed that describes the isotropic-nematic binodal concentrations of hard rods. A simple analytical form for this free energy was yet only available using a Gaussian trial function for the orientation distribution function (ODF), leading, however, to a significant

On the effects on a Landau-type system for an atom with no permanent electric dipole moment due to a Coulomb-type potential

Energy Technology Data Exchange (ETDEWEB)

Oliveira, Abinael B.; Bakke, Knut, E-mail: kbakke@fisica.ufpb.br

2016-02-15

We analyse the bound states for a Landau-type system for an atom with no permanent electric dipole moment subject to a Coulomb-type potential. By comparing the energy levels for bound states of the system with the Landau quantization for an atom with no permanent electric dipole moment (Furtado et al., 2006), we show that the energy levels of the Landau-type system are modified, where the degeneracy of the energy levels is broken. Another quantum effect investigated is a dependence of the angular frequency of the system on the quantum numbers associated with the radial modes and the angular momentum. As examples, we obtain the angular frequency and the energy levels associated with the ground state and the first excited state of the system.

On the effects on a Landau-type system for an atom with no permanent electric dipole moment due to a Coulomb-type potential

International Nuclear Information System (INIS)

Oliveira, Abinael B.; Bakke, Knut

2016-01-01

We analyse the bound states for a Landau-type system for an atom with no permanent electric dipole moment subject to a Coulomb-type potential. By comparing the energy levels for bound states of the system with the Landau quantization for an atom with no permanent electric dipole moment (Furtado et al., 2006), we show that the energy levels of the Landau-type system are modified, where the degeneracy of the energy levels is broken. Another quantum effect investigated is a dependence of the angular frequency of the system on the quantum numbers associated with the radial modes and the angular momentum. As examples, we obtain the angular frequency and the energy levels associated with the ground state and the first excited state of the system.

Nonlinear theory of deformable superconductors: Ginzburg-Landau description

Czech Academy of Sciences Publication Activity Database

Lipavský, Pavel; Morawetz, K.; Koláček, Jan; Brandt, E. H.

2008-01-01

Roč. 78, č. 17 (2008), 174516/1-174516/7 ISSN 1098-0121 R&D Projects: GA ČR GA202/08/0326; GA AV ČR IAA100100712; GA ČR(CZ) GA202/06/0040; GA AV ČR IAA1010404 Institutional research plan: CEZ:AV0Z10100521 Keywords : superconductivity * magneto-elastic effect * inhomogeneous superconductor Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.322, year: 2008

Guidelines for the analysis of free energy calculations.

Science.gov (United States)

Klimovich, Pavel V; Shirts, Michael R; Mobley, David L

2015-05-01

Free energy calculations based on molecular dynamics simulations show considerable promise for applications ranging from drug discovery to prediction of physical properties and structure-function studies. But these calculations are still difficult and tedious to analyze, and best practices for analysis are not well defined or propagated. Essentially, each group analyzing these calculations needs to decide how to conduct the analysis and, usually, develop its own analysis tools. Here, we review and recommend best practices for analysis yielding reliable free energies from molecular simulations. Additionally, we provide a Python tool, alchemical-analysis.py, freely available on GitHub as part of the pymbar package (located at http://github.com/choderalab/pymbar), that implements the analysis practices reviewed here for several reference simulation packages, which can be adapted to handle data from other packages. Both this review and the tool covers analysis of alchemical calculations generally, including free energy estimates via both thermodynamic integration and free energy perturbation-based estimators. Our Python tool also handles output from multiple types of free energy calculations, including expanded ensemble and Hamiltonian replica exchange, as well as standard fixed ensemble calculations. We also survey a range of statistical and graphical ways of assessing the quality of the data and free energy estimates, and provide prototypes of these in our tool. We hope this tool and discussion will serve as a foundation for more standardization of and agreement on best practices for analysis of free energy calculations.

Time-dependent occupation numbers in reduced-density-matrix-functional theory: Application to an interacting Landau-Zener model

International Nuclear Information System (INIS)

Requist, Ryan; Pankratov, Oleg

2011-01-01

We prove that if the two-body terms in the equation of motion for the one-body reduced density matrix are approximated by ground-state functionals, the eigenvalues of the one-body reduced density matrix (occupation numbers) remain constant in time. This deficiency is related to the inability of such an approximation to account for relative phases in the two-body reduced density matrix. We derive an exact differential equation giving the functional dependence of these phases in an interacting Landau-Zener model and study their behavior in short- and long-time regimes. The phases undergo resonances whenever the occupation numbers approach the boundaries of the interval [0,1]. In the long-time regime, the occupation numbers display correlation-induced oscillations and the memory dependence of the functionals assumes a simple form.

Remarks on the three-level topological string theories

International Nuclear Information System (INIS)

Budzynski, R.J.

1997-01-01

A few observations concerning topological string theories at the string-tree level are presented: (1) The tree-level, large phase space solution of an arbitrary model is expressed in terms of a variational problem, with an ''action'' equal, at the solution, to the one-point function of the puncture operator, and found by solving equations of Gauss-Manin type; (2) For A k Landau-Ginzburg models, an extension to large phase space of the usual residue formula for three-point functions is given. (author)

Anisotropic type-I superconductivity and anomalous superfluid density in OsB2

Science.gov (United States)

Bekaert, J.; Vercauteren, S.; Aperis, A.; Komendová, L.; Prozorov, R.; Partoens, B.; Milošević, M. V.

2016-10-01

We present a microscopic study of superconductivity in OsB2, and discuss the origin and characteristic length scales of the superconducting state. From first-principles we show that OsB2 is characterized by three different Fermi sheets, and we prove that this fermiology complies with recent quantum-oscillation experiments. Using the found microscopic properties, and experimental data from the literature, we employ Ginzburg-Landau relations to reveal that OsB2 is a distinctly type-I superconductor with a very low Ginzburg-Landau parameter κ —a rare property among compound materials. We show that the found coherence length and penetration depth corroborate the measured thermodynamic critical field. Moreover, our calculation of the superconducting gap structure using anisotropic Eliashberg theory and ab initio calculated electron-phonon interaction as input reveals a single but anisotropic gap. The calculated gap spectrum is shown to give an excellent account for the unconventional behavior of the superfluid density of OsB2 measured in experiments as a function of temperature. This reveals that gap anisotropy can explain such behavior, observed in several compounds, which was previously attributed solely to a two-gap nature of superconductivity.

Inhomogeneous ordered states and translational nature of the gauge group in the Landau continuum theory: II. Applications of the general theory

International Nuclear Information System (INIS)

Braginsky, A. Ya.

2007-01-01

A group theory approach to description of phase transitions to an inhomogeneous ordered state, proposed in the preceding paper, is applied to two problems. First, a theory of the state of a liquid-crystalline smectic type-A phase under the action of uniaxial pressure is developed. Second, a model of strengthening in quasicrystals is constructed. According to the proposed approach, the so-called elastic dislocations always appear during the phase transitions in an inhomogeneous deformed state in addition to static dislocations, which are caused by peculiarities of the crystal growth or by other features in the prehistory of a sample. The density of static dislocations weakly depends on the external factors, whereas the density of elastic dislocations depends on the state. An analogy between the proposed theory of the inhomogeneous ordered state and the quantum-field theory of interaction between material fields is considered. On this basis, the phenomenological Ginzburg-Landau equation for the superconducting state is derived using the principle of locality of the transformation properties of the superconducting order parameter with respect to temporal translations

Generalized Landau-Pollak uncertainty relation

International Nuclear Information System (INIS)

Miyadera, Takayuki; Imai, Hideki

2007-01-01

The Landau-Pollak uncertainty relation treats a pair of rank one projection valued measures and imposes a restriction on their probability distributions. It gives a nontrivial bound for summation of their maximum values. We give a generalization of this bound (weak version of the Landau-Pollak uncertainty relation). Our generalization covers a pair of positive operator valued measures. A nontrivial but slightly weak inequality that can treat an arbitrary number of positive operator valued measures is also presented. A possible application to the problem of separability criterion is also suggested

Raise and collapse of pseudo Landau levels in graphene

Science.gov (United States)

Castro, Eduardo V.; Cazalilla, Miguel A.; Vozmediano, María A. H.

2017-12-01

Lattice deformations couple to the low-energy electronic excitations of graphene as vector fields similar to the electromagnetic potential. The observation of strain-induced pseudo Landau levels with scanning tunnel microscopy experiments has been one of the most exciting events in the history of graphene. Nevertheless, the experimental observation presents some ambiguities. Similar strain patterns show different images that are sometimes difficult to interpret. In this Rapid Communication, we show that, for some strain configurations, the deformation potential acts as a parallel electric field able to destabilize the Landau level structure via a mechanism identical to that occurring for real electromagnetic fields. This effect also alters the estimations of the value of the pseudomagnetic field, which can be significantly bigger. The mechanism applies equally if the electric field has an external origin, which opens the door to an electric control of giant pseudomagnetic fields in graphene.

The effect of exchange interaction on quasiparticle Landau levels in narrow-gap quantum well heterostructures.

Science.gov (United States)

Krishtopenko, S S; Gavrilenko, V I; Goiran, M

2012-04-04

Using the 'screened' Hartree-Fock approximation based on the eight-band k·p Hamiltonian, we have extended our previous work (Krishtopenko et al 2011 J. Phys.: Condens. Matter 23 385601) on exchange enhancement of the g-factor in narrow-gap quantum well heterostructures by calculating the exchange renormalization of quasiparticle energies, the density of states at the Fermi level and the quasiparticle g-factor for different Landau levels overlapping. We demonstrate that exchange interaction yields more pronounced Zeeman splitting of the density of states at the Fermi level and leads to the appearance of peak-shaped features in the dependence of the Landau level energies on the magnetic field at integer filling factors. We also find that the quasiparticle g-factor does not reach the maximum value at odd filling factors in the presence of large overlapping of spin-split Landau levels. We advance an argument that the behavior of the quasiparticle g-factor in weak magnetic fields is defined by a random potential of impurities in narrow-gap heterostructures. © 2012 IOP Publishing Ltd

Nonequilibrium lattice-driven dynamics of stripes in nickelates using time-resolved x-ray scattering

Energy Technology Data Exchange (ETDEWEB)

Lee, W.S.; Kung, Y.F.; Moritz, B.; Coslovich, G.; Kaindl, R.A.; Chuang, Y.D.; Moore, R.G.; Lu, D.H.; Kirchmann, P.S.; Robinson, J.S.; Minitti, M.P.; Dakovski, G.; Schlotter, W.F.; Turner, J.J.; Gerber, S.; Sasagawa, T.; Hussain, Z.; Shen, Z.X.; Devereaux, T.P.

2017-03-13

We investigate the lattice coupling to the spin and charge orders in the striped nickelate, La 1.75 Sr 0.25 NiO 4 , using time-resolved resonant x-ray scattering. Lattice-driven dynamics of both spin and charge orders are observed when the pump photon energy is tuned to that of an E u bond- stretching phonon. We present a likely scenario for the behavior of the spin and charge order parameters and its implications using a Ginzburg-Landau theory.

Inertia and ion Landau damping of low-frequency magnetohydrodynamical modes in tokamaks

International Nuclear Information System (INIS)

Bondeson, A.; Chu, M.S.

1996-01-01

The inertia and Landau damping of low-frequency magnetohydrodynamical modes are investigated using the drift-kinetic energy principle for the motion along the magnetic field. Toroidal trapping of the ions decreases the Landau damping and increases the inertia for frequencies below (r/R) 1/2 v thi /qR. The theory is applied to toroidicity-induced Alfvacute en eigenmodes and to resistive wall modes in rotating plasmas. An explanation of the beta-induced Alfvacute en eigenmode is given in terms of the Pfirsch endash Schlueter-like enhancement of inertia at low frequency. The toroidal inertia enhancement also increases the effects of plasma rotation on resistive wall modes. copyright 1996 American Institute of Physics

Towards a generalized Landau theory of quasi-particles for hot dense matter

International Nuclear Information System (INIS)

Leermakers, R.

1985-01-01

In this thesis it is tried to construct a Landau quasi-particle theory for relativistic systems, using field-theoretical methods. It includes a perturbative calculation of the pressure of a quark-gluon plasma. It reports the existence of a hitherto unnoticed plasmon contribution of the order g 3 due to transverse quasi-gluons. A new and Lorentz covariant formulation of the Landau theory is being developed, for a general relativistic system. A detailed calculation is presented of the observables of a quantum electrodynamical (QED) plasma, in lowest orders of perturbation theory. A transverse plasmon effect is discovered, both analytically and numerically. In addition, the analysis shows quasi-electrons and positrons to be stable excitations at any temperature. This is proven in all orders of perturbation theory. Along with a Landau theory for quark-gluon matter, a linearized kinetic equation is derived for the singlet quark distribution function, with a collision term for soft encounters between quasi-quarks. (Auth.)

Breaking the polar-nonpolar division in solvation free energy prediction.

Science.gov (United States)

Wang, Bao; Wang, Chengzhang; Wu, Kedi; Wei, Guo-Wei

2018-02-05

Implicit solvent models divide solvation free energies into polar and nonpolar additive contributions, whereas polar and nonpolar interactions are inseparable and nonadditive. We present a feature functional theory (FFT) framework to break this ad hoc division. The essential ideas of FFT are as follows: (i) representability assumption: there exists a microscopic feature vector that can uniquely characterize and distinguish one molecule from another; (ii) feature-function relationship assumption: the macroscopic features, including solvation free energy, of a molecule is a functional of microscopic feature vectors; and (iii) similarity assumption: molecules with similar microscopic features have similar macroscopic properties, such as solvation free energies. Based on these assumptions, solvation free energy prediction is carried out in the following protocol. First, we construct a molecular microscopic feature vector that is efficient in characterizing the solvation process using quantum mechanics and Poisson-Boltzmann theory. Microscopic feature vectors are combined with macroscopic features, that is, physical observable, to form extended feature vectors. Additionally, we partition a solvation dataset into queries according to molecular compositions. Moreover, for each target molecule, we adopt a machine learning algorithm for its nearest neighbor search, based on the selected microscopic feature vectors. Finally, from the extended feature vectors of obtained nearest neighbors, we construct a functional of solvation free energy, which is employed to predict the solvation free energy of the target molecule. The proposed FFT model has been extensively validated via a large dataset of 668 molecules. The leave-one-out test gives an optimal root-mean-square error (RMSE) of 1.05 kcal/mol. FFT predictions of SAMPL0, SAMPL1, SAMPL2, SAMPL3, and SAMPL4 challenge sets deliver the RMSEs of 0.61, 1.86, 1.64, 0.86, and 1.14 kcal/mol, respectively. Using a test set of 94

Pairing States of Spin-3/2 Fermions: Symmetry-Enforced Topological Gap Functions

Science.gov (United States)

Venderbos, Jörn W. F.; Savary, Lucile; Ruhman, Jonathan; Lee, Patrick A.; Fu, Liang

2018-01-01

We study the topological properties of superconductors with paired j =3/2 quasiparticles. Higher spin Fermi surfaces can arise, for instance, in strongly spin-orbit coupled band-inverted semimetals. Examples include the Bi-based half-Heusler materials, which have recently been established as low-temperature and low-carrier density superconductors. Motivated by this experimental observation, we obtain a comprehensive symmetry-based classification of topological pairing states in systems with higher angular momentum Cooper pairing. Our study consists of two main parts. First, we develop the phenomenological theory of multicomponent (i.e., higher angular momentum) pairing by classifying the stationary points of the free energy within a Ginzburg-Landau framework. Based on the symmetry classification of stationary pairing states, we then derive the symmetry-imposed constraints on their gap structures. We find that, depending on the symmetry quantum numbers of the Cooper pairs, different types of topological pairing states can occur: fully gapped topological superconductors in class DIII, Dirac superconductors, and superconductors hosting Majorana fermions. Notably, we find a series of nematic fully gapped topological superconductors, as well as double- and triple-Dirac superconductors, with quadratic and cubic dispersion, respectively. Our approach, applied here to the case of j =3/2 Cooper pairing, is rooted in the symmetry properties of pairing states, and can therefore also be applied to other systems with higher angular momentum and high-spin pairing. We conclude by relating our results to experimentally accessible signatures in thermodynamic and dynamic probes.

Amplitude equations for a sub-diffusive reaction-diffusion system

International Nuclear Information System (INIS)

Nec, Y; Nepomnyashchy, A A

2008-01-01

A sub-diffusive reaction-diffusion system with a positive definite memory operator and a nonlinear reaction term is analysed. Amplitude equations (Ginzburg-Landau type) are derived for short wave (Turing) and long wave (Hopf) bifurcation points

Phase Diagram of the ν=5/2 Fractional Quantum Hall Effect: Effects of Landau-Level Mixing and Nonzero Width

Directory of Open Access Journals (Sweden)

Kiryl Pakrouski

2015-04-01

Full Text Available Interesting non-Abelian states, e.g., the Moore-Read Pfaffian and the anti-Pfaffian, offer candidate descriptions of the ν=5/2 fractional quantum Hall state. But, the significant controversy surrounding the nature of the ν=5/2 state has been hampered by the fact that the competition between these and other states is affected by small parameter changes. To study the phase diagram of the ν=5/2 state, we numerically diagonalize a comprehensive effective Hamiltonian describing the fractional quantum Hall effect of electrons under realistic conditions in GaAs semiconductors. The effective Hamiltonian takes Landau-level mixing into account to lowest order perturbatively in κ, the ratio of the Coulomb energy scale to the cyclotron gap. We also incorporate the nonzero width w of the quantum-well and subband mixing. We find the ground state in both the torus and spherical geometries as a function of κ and w. To sort out the nontrivial competition between candidate ground states, we analyze the following four criteria: its overlap with trial wave functions, the magnitude of energy gaps, the sign of the expectation value of an order parameter for particle-hole symmetry breaking, and the entanglement spectrum. We conclude that the ground state is in the universality class of the Moore-Read Pfaffian state, rather than the anti-Pfaffian, for κ<κ_{c}(w, where κ_{c}(w is a w-dependent critical value 0.6≲κ_{c}(w≲1. We observe that both Landau-level mixing and nonzero width suppress the excitation gap, but Landau-level mixing has a larger effect in this regard. Our findings have important implications for the identification of non-Abelian fractional quantum Hall states.

Carlo Ginzburg and the Historian’s Craft: Questions and Remarks

Directory of Open Access Journals (Sweden)

Giovanni Tarantino

2014-03-01

Full Text Available Selected paper from the first edition of IinteR-La+b (the International Interdisciplinary Research Laboratory of the Accademia Nazionale dei Lincei, the Swiss Academies of Arts and Sciences and the Balzan Foundation held in Rome, at the Accademia Nazionale dei Lincei, 12–13 November 2012. Published in Giovanni Tarantino (ed., “Our words, and theirs:” A conversation with Carlo Ginzburg on the historian’s craft, Cromohs 18 (2013.

Spatially correlated disorder in striped precursor magnetic modulations

International Nuclear Information System (INIS)

Porta, Marcel; Castan, Teresa; LLoveras, Pol; Planes, Antoni; Saxena, Avadh

2007-01-01

We use a Ginzburg-Landau model that includes long-range dipolar interactions and spatially correlated quenched-in disorder coupled to the local magnetization to study the properties of the precursor magnetic modulations as a function of the characteristics of the disorder. We find that although the modulation pattern is very robust and does not depend on details of the pair correlation function G(r), the scaling behaviour of the characteristic length of the striped magnetic modulations depends on the behaviour of G(r) for small values of r

QM/MM free energy simulations: recent progress and challenges

Science.gov (United States)

Lu, Xiya; Fang, Dong; Ito, Shingo; Okamoto, Yuko; Ovchinnikov, Victor

2016-01-01

Due to the higher computational cost relative to pure molecular mechanical (MM) simulations, hybrid quantum mechanical/molecular mechanical (QM/MM) free energy simulations particularly require a careful consideration of balancing computational cost and accuracy. Here we review several recent developments in free energy methods most relevant to QM/MM simulations and discuss several topics motivated by these developments using simple but informative examples that involve processes in water. For chemical reactions, we highlight the value of invoking enhanced sampling technique (e.g., replica-exchange) in umbrella sampling calculations and the value of including collective environmental variables (e.g., hydration level) in metadynamics simulations; we also illustrate the sensitivity of string calculations, especially free energy along the path, to various parameters in the computation. Alchemical free energy simulations with a specific thermodynamic cycle are used to probe the effect of including the first solvation shell into the QM region when computing solvation free energies. For cases where high-level QM/MM potential functions are needed, we analyze two different approaches: the QM/MM-MFEP method of Yang and co-workers and perturbative correction to low-level QM/MM free energy results. For the examples analyzed here, both approaches seem productive although care needs to be exercised when analyzing the perturbative corrections. PMID:27563170

Interaction of langmuir and ion acoustic waves

International Nuclear Information System (INIS)

Lee, Hee Jae

1991-01-01

Interaction of Langmuir and ion acoustic waves in a plasma is described by Landau-Ginzburg type of equation when the group velocity of the Langmuir wave is equal to the wave velocity of ion acoustic wave. (Author)

Orbitally limited pair-density-wave phase of multilayer superconductors

Science.gov (United States)

Möckli, David; Yanase, Youichi; Sigrist, Manfred

2018-04-01

We investigate the magnetic field dependence of an ideal superconducting vortex lattice in the parity-mixed pair-density-wave phase of multilayer superconductors within a circular cell Ginzburg-Landau approach. In multilayer systems, due to local inversion symmetry breaking, a Rashba spin-orbit coupling is induced at the outer layers. This combined with a perpendicular paramagnetic (Pauli) limiting magnetic field stabilizes a staggered layer dependent pair-density-wave phase in the superconducting singlet channel. The high-field pair-density-wave phase is separated from the low-field BCS phase by a first-order phase transition. The motivating guiding question in this paper is: What is the minimal necessary Maki parameter αM for the appearance of the pair-density-wave phase of a superconducting trilayer system? To address this problem we generalize the circular cell method for the regular flux-line lattice of a type-II superconductor to include paramagnetic depairing effects. Then, we apply the model to the trilayer system, where each of the layers are characterized by Ginzburg-Landau parameter κ0 and a Maki parameter αM. We find that when the spin-orbit Rashba interaction compares to the superconducting condensation energy, the orbitally limited pair-density-wave phase stabilizes for Maki parameters αM>10 .

Calculating Free Energies Using Average Force

Science.gov (United States)

Darve, Eric; Pohorille, Andrew; DeVincenzi, Donald L. (Technical Monitor)

2001-01-01

A new, general formula that connects the derivatives of the free energy along the selected, generalized coordinates of the system with the instantaneous force acting on these coordinates is derived. The instantaneous force is defined as the force acting on the coordinate of interest so that when it is subtracted from the equations of motion the acceleration along this coordinate is zero. The formula applies to simulations in which the selected coordinates are either unconstrained or constrained to fixed values. It is shown that in the latter case the formula reduces to the expression previously derived by den Otter and Briels. If simulations are carried out without constraining the coordinates of interest, the formula leads to a new method for calculating the free energy changes along these coordinates. This method is tested in two examples - rotation around the C-C bond of 1,2-dichloroethane immersed in water and transfer of fluoromethane across the water-hexane interface. The calculated free energies are compared with those obtained by two commonly used methods. One of them relies on determining the probability density function of finding the system at different values of the selected coordinate and the other requires calculating the average force at discrete locations along this coordinate in a series of constrained simulations. The free energies calculated by these three methods are in excellent agreement. The relative advantages of each method are discussed.

A fast non-Fourier method for Landau-fluid operators

Energy Technology Data Exchange (ETDEWEB)

Dimits, A. M., E-mail: dimits1@llnl.gov; Joseph, I.; Umansky, M. V. [Lawrence Livermore National Laboratory, L-637, P.O. Box 808, Livermore, California 94511-0808 (United States)

2014-05-15

An efficient and versatile non-Fourier method for the computation of Landau-fluid (LF) closure operators [Hammett and Perkins, Phys. Rev. Lett. 64, 3019 (1990)] is presented, based on an approximation by a sum of modified-Helmholtz-equation solves (SMHS) in configuration space. This method can yield fast-Fourier-like scaling of the computational time requirements and also provides a very compact data representation of these operators, even for plasmas with large spatial nonuniformity. As a result, the method can give significant savings compared with direct application of “delocalization kernels” [e.g., Schurtz et al., Phys. Plasmas 7, 4238 (2000)], both in terms of computational cost and memory requirements. The method is of interest for the implementation of Landau-fluid models in situations where the spatial nonuniformity, particular geometry, or boundary conditions render a Fourier implementation difficult or impossible. Systematic procedures have been developed to optimize the resulting operators for accuracy and computational cost. The four-moment Landau-fluid model of Hammett and Perkins has been implemented in the BOUT++ code using the SMHS method for LF closure. Excellent agreement has been obtained for the one-dimensional plasma density response function between driven initial-value calculations using this BOUT++ implementation and matrix eigenvalue calculations using both Fourier and SMHS non-Fourier implementations of the LF closures. The SMHS method also forms the basis for the implementation, which has been carried out in the BOUT++ code, of the parallel and toroidal drift-resonance LF closures. The method is a key enabling tool for the extension of gyro-Landau-fluid models [e.g., Beer and Hammett, Phys. Plasmas 3, 4046 (1996)] to codes that treat regions with strong profile variation, such as the tokamak edge and scrapeoff-layer.

Shift of the superconducting critical parameters due to correlated disorder

International Nuclear Information System (INIS)

Gitterman, M.; Shapiro, I.; Shapiro, B.Ya.

2012-01-01

Shift of the critical temperature and second critical magnetic field are calculated for a superconductor with Gaussian correlated disorder. All calculations have been performed in the framework of the stochastic Ginzburg-Landau equation. For uncorrelated disorder the macroscopic critical temperature is determined by the average of the local critical temperature across the sample, while for correlated disorder both the critical temperature and the upper critical magnetic field depend on disorder correlation length. In a nonuniform superconductor with randomly distributed local critical temperature both the macroscopic critical temperature and the upper critical magnetic field strongly depend on the characteristic correlation length ρ 0 of correlated disorder. The shift of the macroscopic critical parameters from those for non-correlated disorder, which does not exist for white noise, is obtained for small ρ 0 in the framework of the Ginzburg-Landau theory.

Landau fluid equations for electromagnetic and electrostatic fluctuations

International Nuclear Information System (INIS)

Hedrick, C.L.; Leboeuf, J.

1992-01-01

Closure relations are developed to allow approximate treatment of Landau damping and growth using fluid equations for both electrostatic and electromagnetic modes. The coefficients in these closure relations are related to approximations of the plasma dispersion function by ratios of polynomials. Thirteen different numerical sets of coefficients are given and explicitly related to previous fits to the plasma dispersion function. The application of the techniques presented in this paper is illustrated with the specific example of resistive g modes. Comparisons of full kinetic and approximate results are made for the solutions to the dispersion relation, radially resolved modes in sheared magnetic geometry, and the plasma dispersion function itself

Landau damping of dust acoustic solitary waves in nonthermal plasmas

Science.gov (United States)

Ghai, Yashika; Saini, N. S.; Eliasson, B.

2018-01-01

Dust acoustic (DA) solitary and shock structures have been investigated under the influence of Landau damping in a dusty plasma containing two temperature nonthermal ions. Motivated by the observations of Geotail spacecraft that reported two-temperature ion population in the Earth's magnetosphere, we have investigated the effect of resonant wave-particle interactions on DA nonlinear structures. The Korteweg-de Vries (KdV) equation with an additional Landau damping term is derived and its analytical solution is presented. The solution has the form of a soliton whose amplitude decreases with time. Further, we have illustrated the influence of Landau damping and nonthermality of the ions on DA shock structures by a numerical solution of the Landau damping modified KdV equation. The study of the time evolution of shock waves suggests that an initial shock-like pulse forms an oscillatory shock at later times due to the balance of nonlinearity, dispersion, and dissipation due to Landau damping. The findings of the present investigation may be useful in understanding the properties of nonlinear structures in the presence of Landau damping in dusty plasmas containing two temperature ions obeying nonthermal distribution such as in the Earth's magnetotail.

Stability of zero-mode Landau levels in bilayer graphene against disorder in the presence of the trigonal warping

International Nuclear Information System (INIS)

Kawarabayashi, Tohru; Hasugai, Yasuhiro; Aoki, Hideo

2013-01-01

The stability of the zero-energy Landau levels in bilayer graphene against the chiral symmetric disorder is examined in the presence of the trigonal warping. Based on the tight-binding lattice model with a bond disorder correlated over several lattice constants, it is shown that among the four Landau levels per spin and per valley, two Landau levels exhibit the anomalous sharpness as in the absence of the trigonal warping, while the other two are broadened, yielding split peaks in the density of states. This can be attributed to the fact that the total chirality in each valley is ±2, which is protected topologically even in the presence of an intra-valley scattering due to disorder

MD 2722: Investigation of Landau damping by means of BTF measurements

CERN Document Server

Tambasco, Claudia; Barranco Garcia, Javier; Boccardi, Andrea; Buffat, Xavier; Bruce, Roderik; Gasior, Marek; Hostettler, Michi; Lefevre, Thibaut; Levens, Tom; Louro Alves, Diogo Miguel; Metral, Elias; Pieloni, Tatiana; Pojer, Mirko; Salvachua Ferrando, Belen Maria; Solfaroli Camillocci, Matteo; CERN. Geneva. ATS Department

2018-01-01

Stability diagrams quantify the LHC stability thresholds due to the beam coupling impedance. Beam Transfer Function (BTF) measurements are a direct measurements of the stability diagram and therefore of the Landau damping of proton beams. Some coherent instabilities at the LHC are still not fully understood, especially when in the presence of beam-beam long range interactions at the end of the betatron squeeze. The beam-beam excited resonances can cause diffusive mechanisms and particle distribution changes that can lead to a different stability w.r.t. expectations for a Gaussian particle distribution. To investigate limitations of the models, a BTF system has been installed in the LHC in the 2015 in order to measure the Landau damping. During past MDs several configurations have been investigated: tune shifts and tune spread of the beams have been measured as a function of the octupole currents, tunes and beam-beam long range interactions. Some measurements artifacts were observed and mitigated, however the...

Sum rules for nuclear excitations with the Skyrme-Landau interaction

International Nuclear Information System (INIS)

Liu Kehfei; Luo Hongde; Ma Zhongyu; Feng Man; Shen Qingbiao

1991-01-01

The energy-weighted sum rules for electric, magnetic, Fermi and Gamow-Teller transitions with the Skyrme-Landau interaction are derived from the double commutators and numerically calculated in a HF + RPA formalism. As a numerical check of the Thouless theorem, our self-consistent calculations show that the calculated RPA strengths exhaust more than 85% of the sum rules in most cases. The well known non-energy-weighted sum rules for Fermi and Gamow-Teller transitions are also checked numerically. The sum rules are exhausted by more than 94% in these cases. (orig.)

Computation of free energy

NARCIS (Netherlands)

van Gunsteren, WF; Daura, [No Value; Mark, AE

2002-01-01

Many quantities that are standardly used to characterize a chemical system are related to free-energy differences between particular states of the system. By statistical mechanics, free-energy differences may be expressed in terms of averages over ensembles of atomic configurations for the molecular

Free neutron-proton analyzing power at medium energies

International Nuclear Information System (INIS)

Newsom, C.R.

1980-01-01

In recent years, increasing efforts have been made to measure the nucleon-nucleon polarization parameters. To date, no free neutron-proton spin correlated parameters have been published in the energy range 500 to 800 MeV. Existing analyzing power data is of low precision and in most cases was obtained by quasi-free proton scattering. As a first step in determining the neutron-proton scattering matrix, the free neutron-proton analyzing power has been measured at the Los Alamos Physics Facility as a function of energy and angle. The experiment was performed by scattering a neutron beam from a polarized proton target. The neutron beam was generated by scattering 800 MeV protons from a Beryllium target and using the neutrons produced at 0 degrees. The incident energy ranged from 300 MeV to 800 MeV. The energy spread of the neutron beam made it possible to measure the analyzing power at different energies simultaneously. Angular distributions were taken from 60 to 170 degrees in the center of mass system (c.m.)

Gibbs free energy of reactions involving SiC, Si3N4, H2, and H2O as a function of temperature and pressure

Science.gov (United States)

Isham, M. A.

1992-01-01

Silicon carbide and silicon nitride are considered for application as structural materials and coating in advanced propulsion systems including nuclear thermal. Three-dimensional Gibbs free energy were constructed for reactions involving these materials in H2 and H2/H2O. Free energy plots are functions of temperature and pressure. Calculations used the definition of Gibbs free energy where the spontaneity of reactions is calculated as a function of temperature and pressure. Silicon carbide decomposes to Si and CH4 in pure H2 and forms a SiO2 scale in a wet atmosphere. Silicon nitride remains stable under all conditions. There was no apparent difference in reaction thermodynamics between ideal and Van der Waals treatment of gaseous species.

Unsupervised Calculation of Free Energy Barriers in Large Crystalline Systems

Science.gov (United States)

Swinburne, Thomas D.; Marinica, Mihai-Cosmin

2018-03-01

The calculation of free energy differences for thermally activated mechanisms in the solid state are routinely hindered by the inability to define a set of collective variable functions that accurately describe the mechanism under study. Even when possible, the requirement of descriptors for each mechanism under study prevents implementation of free energy calculations in the growing range of automated material simulation schemes. We provide a solution, deriving a path-based, exact expression for free energy differences in the solid state which does not require a converged reaction pathway, collective variable functions, Gram matrix evaluations, or probability flux-based estimators. The generality and efficiency of our method is demonstrated on a complex transformation of C 15 interstitial defects in iron and double kink nucleation on a screw dislocation in tungsten, the latter system consisting of more than 120 000 atoms. Both cases exhibit significant anharmonicity under experimentally relevant temperatures.

[The physics of cellular automata and coherence and chaos in classical many-body systems

International Nuclear Information System (INIS)

1992-01-01

This report contains short discussions on the following topics: non-variational effects in a Ginzburg-Landau equation; algebraic correlations in conserved chaotic systems; chaotic interface models of turbulence; algebraic correlations in coupled order parameter systems; and dynamics of Josephson Junction arrays

Effect of dislocations on superconductivity. O vliyanii dislokatsiy na sverkhrpovodimost'

Energy Technology Data Exchange (ETDEWEB)

Agap' ev, B D; Bytsenko, A A; Sukhanov, S A

1976-01-01

Electron-dislocation interaction is analyzed here. The effect of dislocations on the superconductor characteristics is determined according to the Ginzburg-Landau method. Appreciable changes in the stability of the superconductive state are found to occur in the vicinity of dislocations.

Polarization field gradient effects in inhomogeneous metal-ferroelectric bilayers: Optical response and band gap tunability

Energy Technology Data Exchange (ETDEWEB)

Vivas C, H., E-mail: hvivasc@unal.edu.co [Grupo de las Propiedades Opticas de los Materiales (POM), Departamento de Fisica, Universidad Nacional de Colombia, Sede Manizales, A.A. 127 (Colombia); Vargas-Hernandez, C. [Grupo de las Propiedades Opticas de los Materiales (POM), Departamento de Fisica, Universidad Nacional de Colombia, Sede Manizales, A.A. 127 (Colombia)

2012-06-15

Optical constants, reflectivity response and direct band gap energy (E{sub g}{sup d}) were calculated and simulated by developing an electrodynamic-based model for a three medium system, namely vacuum/ferroelectric film/metallic substrate. Depolarization effects due to the contact between the metallic substrate and the FE film, as well as the spatially dependent profile of the dielectric susceptibility {epsilon}(z) enter into the formalism by adapting the phenomenological Landau-Ginzburg-Devonshire theory (LGD). Absorption coefficient is obtained from the Lambert-Beer-Bouguer (LBB) approximation and the direct band gap energy as a function of the characteristic length is calculated by using the general Tauc power law. Numerical simulations lead to range of values for tunable E{sub g}{sup d} from 2.6 to 2.8 eV for characteristic lengths up to 30% the thickness of the film, in concordance with recent reports.

The rubber band revisited: Wang–Landau simulation

International Nuclear Information System (INIS)

Ferreira, Lucas S; Caparica, Álvaro A; Neto, Minos A; Galiceanu, Mircea D

2012-01-01

In this work we apply Wang–Landau simulations to a simple model which has exact solutions both in the microcanonical and canonical formalisms. The simulations were carried out by using an updated version of the Wang–Landau sampling. We consider a homopolymer chain consisting of N monomers units which may assume any configuration on the two-dimensional lattice. By imposing constraints to the moves of the polymers we obtain three different models. Our results show that updating the density of states only after every N monomer moves leads to a better precision. We obtain the specific heat and the end-to-end distance per monomer and test the precision of our simulations by comparing the location of the maximum of the specific heat with the exact results and conventional Wang–Landau simulations for the three types of walk. (paper)

Maneiras criativas de não gostar de Bakhtin: Lydia Ginzburg e Mikhail Gasparov

Directory of Open Access Journals (Sweden)

Caryl Emerson

2015-11-01

Full Text Available Este artigo contribui para nossa compreensão de como os russos receberam os conceitos de Bakhtin, principalmente dois influentes estudiosos russos, críticos de Bakhtin, cada um a partir de uma perspectiva diferente. O estudo de tais críticas é valioso, uma vez que nos incentiva a reexaminar nossas próprias percepções, por vezes complacentes, das teorias de Bakhtin. Mikhail Gasparov (1937-2005, um importante classicista e preeminente erudito do verso, publicou críticas virulentas contra Bakhtin entre 1979 e 2004. Seu problema com Bakhtin era essencialmente metodológico. Lydia Ginzburg (1902-1990, conhecida por suas Notes of a Blockade Person, e por estudos sobre os gêneros do diário, das memórias, da carta pessoal e do caderno do escritor, questionou os pressupostos psicológicos por trás das teorias bakhtinianas de simpatia e amor. Ginzburg também tinha sérias dúvidas quanto à ideia bakhtiniana do romance polifônico e a respeito do uso que Bakhtin fazia da oposição entre o monológico e o dialógico para caracterizar os romances de Tolstoi e Dostoiévski. Um exame atento das posições de Bakhtin e Ginzburg sobre o amor revela paralelos e diferenças interessantes. O artigo termina com sugestões sobre como as críticas de Ginsburg e de Gasparov podem nos ajudar a ler Bakhtin de maneiras criativas.

Pulsar kicks with modified Urca and electrons in Landau levels

International Nuclear Information System (INIS)

Henley, Ernest M.; Johnson, Mikkel B.; Kisslinger, Leonard S.

2007-01-01

We derive the energy asymmetry given the protoneutron star during the time when the neutrino sphere is near the surface of the protoneutron star, using the modified Urca process. The electrons produced with the antineutrinos are in Landau levels due to the strong magnetic field, and this leads to asymmetry in the neutrino momentum, and a pulsar kick. The magnetic field must be strong enough for a large fraction of the electrons to be in the lowest Landau level; however, there is no direct dependence of our pulsar velocity on the strength of the magnetic field. Our main prediction is that the large pulsar kicks start at about 10 s and last for about 10 s, with the corresponding neutrinos correlated with the direction of the magnetic field. We predict a pulsar velocity of 1.03x10 -4 (T/10 10 K) 7 km/s, which reaches 1000 km/s if T≅10 11 K

Topological approach to quantum Hall effects and its important applications: higher Landau levels, graphene and its bilayer

Science.gov (United States)

Jacak, Janusz; Łydżba, Patrycja; Jacak, Lucjan

2017-05-01

In this paper the topological approach to quantum Hall effects is carefully described. Commensurability conditions together with proposed generators of a system braid group are employed to establish the fractional quantum Hall effect hierarchies of conventional semiconductors, monolayer and bilayer graphene structures. Obtained filling factors are compared with experimental data and a very good agreement is achieved. Preliminary constructions of ground-state wave functions in the lowest Landau level are put forward. Furthermore, this work explains why pyramids of fillings from higher bands are not counterparts of the well-known composite-fermion hierarchy - it provides with the cause for an intriguing robustness of ν = 7/3 , 8/3 and 5/2 states (also in graphene). The argumentation why paired states can be developed in two-subband systems (wide quantum wells) only when the Fermi energy lies in the first Landau level is specified. Finally, the paper also clarifies how an additional surface in bilayer systems contributes to an observation of the fractional quantum Hall effect near half-filling, ν = 1/2 .

Resistive transition of superconducting-wire networks. Influence of pinning and fluctuations

International Nuclear Information System (INIS)

Giroud, M.; Buisson, O.; Wang, Y.Y.; Pannetier, B.; Mailly, D.

1992-01-01

The authors studied the resistive transition of several 2-D superconducting-wire networks of various coupling strengths, which they characterize in terms of the Kosterlitz-Thouless transition temperature and the ratio ξ/a of the coherence length to the array period. In the extreme strong-coupling limit where the mesh size is of the order of the zero-temperature coherence length, the superconducting behavior is well described by the mean-field properties of the superconducting wave function. Extending to 2-D array, the 1-D phase-slippage model explains the dissipative regime observed above the Ginzburg-Landau depairing critical current. On the other hand, when the coupling is weak, phase fluctuations below the Ginzburg-Landau transition and vortex depinning dominate the resistive behavior. An activated dissipation is observed even below the depairing critical current. Results obtained in this regime for critical temperature, magnetoresistance, or critical current versus temperature, and magnetic field are shown; their periodic oscillations are discussed in terms of depinning of vortices on the array. A simple periodic pinning potential for a vortex in a wire network is calculated, and compared with the case of pinning in Josephson junction arrays. It is shown that this model explains qualitatively the experimental results observed for small ξ/a

Free energy minimization to predict RNA secondary structures and computational RNA design.

Science.gov (United States)

Churkin, Alexander; Weinbrand, Lina; Barash, Danny

2015-01-01

Determining the RNA secondary structure from sequence data by computational predictions is a long-standing problem. Its solution has been approached in two distinctive ways. If a multiple sequence alignment of a collection of homologous sequences is available, the comparative method uses phylogeny to determine conserved base pairs that are more likely to form as a result of billions of years of evolution than by chance. In the case of single sequences, recursive algorithms that compute free energy structures by using empirically derived energy parameters have been developed. This latter approach of RNA folding prediction by energy minimization is widely used to predict RNA secondary structure from sequence. For a significant number of RNA molecules, the secondary structure of the RNA molecule is indicative of its function and its computational prediction by minimizing its free energy is important for its functional analysis. A general method for free energy minimization to predict RNA secondary structures is dynamic programming, although other optimization methods have been developed as well along with empirically derived energy parameters. In this chapter, we introduce and illustrate by examples the approach of free energy minimization to predict RNA secondary structures.

Pairing in the cosmic neutrino background

International Nuclear Information System (INIS)

Alonso, V.; Paredes, R.

1981-07-01

We extend the discussion of the possible superfluidity of the cosmic background of neutrinos beyond the arguments based on the gap equation, originally given by Ginzburg and Zharkov. We show how to develop a simple Ginzburg-Landau liquid model, in analogy with superconductivity. We use it to show how an analysis of the energy spectrum of the universe can be formulated to include general relativistic effects on the superfluid neutrinos. Finally, in view of the Hawking and Collins careful discussion on the rotation and distortion of a spatially homogeneous and isotropic universe, we discuss the vortex dynamics that might be generated on the superfluid by rotations (allowed by the almost isotropy of the microwave background of photons) of up to 2 x 10 -14 second of arc/century, but conclude that rotations of this order of magnitude would be sufficiently strong to deter the existence of the superfluid state. (author)

A Variational Approach to Enhanced Sampling and Free Energy Calculations

Science.gov (United States)

Parrinello, Michele

2015-03-01

The presence of kinetic bottlenecks severely hampers the ability of widely used sampling methods like molecular dynamics or Monte Carlo to explore complex free energy landscapes. One of the most popular methods for addressing this problem is umbrella sampling which is based on the addition of an external bias which helps overcoming the kinetic barriers. The bias potential is usually taken to be a function of a restricted number of collective variables. However constructing the bias is not simple, especially when the number of collective variables increases. Here we introduce a functional of the bias which, when minimized, allows us to recover the free energy. We demonstrate the usefulness and the flexibility of this approach on a number of examples which include the determination of a six dimensional free energy surface. Besides the practical advantages, the existence of such a variational principle allows us to look at the enhanced sampling problem from a rather convenient vantage point.

Bounce-harmonic Landau Damping of Plasma Waves

Science.gov (United States)

Anderegg, Francois

2015-11-01

We present measurement of plasma wave damping, spanning the temperature regimes of direct Landau damping, bounce-harmonic Landau damping, inter-species drag damping, and viscous damping. Direct Landau damping is dominant at high temperatures, but becomes negligible as v vph / 5 . The measurements are conducted in trapped pure ion plasmas contained in Penning-Malmberg trap, with wave-coherent LIF diagnostics of particle velocities. Our focus is on bounce harmonics damping, controlled by an applied ``squeeze'' potential, which generates harmonics in the wave potential and in the particle dynamics. A particle moving in z experiences a non-sinusoidal mode potential caused by the squeeze, producing high spatial harmonics with lower phase velocity. These harmonics are Landau damped even when the mode phase velocity vph is large compared to the thermal velocity v , since the nth harmonic is resonant with a particle bouncing at velocity vb =vph / n . Here we increase the bounce harmonics through applied squeeze potential; but some harmonics are always present in finite length systems. For our centered squeeze geometry, theory shows that only odd harmonics are generated, and predicts the Landau damping rate from vph / n . Experimentally, the squeeze potential increases the wave damping and reduces its frequency. The frequency shift occurs because the squeeze potential reduces the number of particle where the mode velocity is the largest, therefore reducing the mode frequency. We observe an increase in the damping proportional to Vs2,and a frequency reduction proportional to Vs , in quantitative agreement with theory. Wave-coherent laser induced fluorescence allows direct observation of bounce resonances on the particle distribution, here predominantly at vph / 3 . A clear increase of the bounce harmonics is visible on the particle distribution when the squeeze potential is applied. Supported by NSF Grant PHY-1414570, and DOE Grants DE-SC0002451 and DE-SC0008693.

Construction of an exact solution of time-dependent Ginzburg ...

Indian Academy of Sciences (India)

time-dependent Ginzburg–Landau (TDGL) equations we have calculated the ... The prototype of such equations is the parabolic reaction diffusion equation [7,8] ..... It may be possible to compare the above results with suitable experiments, ...

Controlling spatio-temporal extreme events by decreasing the localized energy

International Nuclear Information System (INIS)

Du Lin; Xu Wei; Li Zhanguo; Zhou Bingchang

2011-01-01

The problem of controlling extreme events in spatially extended dynamical systems is investigated in this Letter. Based on observations of the system state, the control technique we proposed locally decreases the spatial energy of the amplitude in the vicinity of the highest burst, without needs of any knowledge or prediction of the system model. Considering the specific Complex Ginzburg-Landau equation, we provide theoretical analysis for designing the localized state feedback controller. More exactly, a simple control law by varying a damping parameter at control region is chose to achieve the control. Numerical simulations and statistic analysis demonstrate that extreme events can be efficiently suppressed by our strategy. In particular, the cost of the control and the tolerant time delay in applying the control is considered in detail. - Highlights: → We propose a local control scheme to suppress spatio-temporal extreme events. → The control is address by decreasing the spatial energy of the system locally. → The detail control law is to apply localized state feedback based on observations. → The cost of the control increases with the size of the control region exponentially. → The tolerant delay of the control is about 5-6 times of lifetime of extreme events.

Defects and boundary RG flows in ℂ/ℤ{sub d}

Energy Technology Data Exchange (ETDEWEB)

Becker, Melanie; Cabrera, Yaniel [George and Cynthia Mitchell Institute for Fundamental Physics and Astronomy,Texas A& M University,College Station, TX 77843-4242 (United States); Robbins, Daniel [Department of Physics, University at Albany,1400 Washington Ave., Albany, NY 12222 (United States)

2017-02-01

We show that topological defects in the language of Landau-Ginzburg models carry information about the RG flow between the non-compact orbifolds ℂ/ℤ{sub d}. We show that such defects correctly implement the bulk-induced RG flow on the boundary.

Theory of phase-slip processes in thin and dirty current-carrying superconducting wires: Deviations from local equilibrium

International Nuclear Information System (INIS)

Kraehenbuehl, Y.

1983-01-01

Oscillatory phase-slip solution of a set of integrodifferential equations describing time-dependent processes in dirty superconductors in the Ginzburg-Landau regime are found numerically very near Tsub(c). Deviations from local equilibrium improve the agreement with observed V-I curves. (orig.)

Simulations of Skin Barrier Function: Free Energies of Hydrophobic and Hydrophilic Transmembrane Pores in Ceramide Bilayers

OpenAIRE

Notman, Rebecca; Anwar, Jamshed; Briels, W. J.; Noro, Massimo G.; den Otter, Wouter K.

2008-01-01

Transmembrane pore formation is central to many biological processes such as ion transport, cell fusion, and viral infection. Furthermore, pore formation in the ceramide bilayers of the stratum corneum may be an important mechanism by which penetration enhancers such as dimethylsulfoxide (DMSO) weaken the barrier function of the skin. We have used the potential of mean constraint force (PMCF) method to calculate the free energy of pore formation in ceramide bilayers in both the innate gel pha...

Strong-coupling effects in superfluid 3He in aerogel

International Nuclear Information System (INIS)

Aoyama, Kazushi; Ikeda, Ryusuke

2007-01-01

Effects of impurity scatterings on the strong-coupling (SC) contribution, stabilizing the ABM (axial) pairing state, to the quartic term of the Ginzburg-Landau free energy of superfluid 3 He are theoretically studied to examine recent observations suggestive of an anomalously small SC effect in superfluid 3 He in aerogels. To study the SC corrections, two approaches are used. One is based on a perturbation in the short-range repulsive interaction, and the other is a phenomenological approach used previously for the bulk liquid by Sauls and Serene [Phys. Rev. B 24, 183 (1981)]. It is found that the impurity scattering favors the BW pairing state and shrinks the region of the ABM pairing state in the T-P phase diagram. In the phenomenological approach, the resulting shrinkage of the ABM region is especially substantial and, if assuming an anisotropy over a large scale in aerogel, leads to justifying the phase diagrams determined experimentally

Crystalline phases by an improved gradient expansion technique

Science.gov (United States)

Carignano, S.; Mannarelli, M.; Anzuini, F.; Benhar, O.

2018-02-01

We develop an innovative technique for studying inhomogeneous phases with a spontaneous broken symmetry. The method relies on the knowledge of the exact form of the free energy in the homogeneous phase and on a specific gradient expansion of the order parameter. We apply this method to quark matter at vanishing temperature and large chemical potential, which is expected to be relevant for astrophysical considerations. The method is remarkably reliable and fast as compared to performing the full numerical diagonalization of the quark Hamiltonian in momentum space and is designed to improve the standard Ginzburg-Landau expansion close to the phase transition points. For definiteness, we focus on inhomogeneous chiral symmetry breaking, accurately reproducing known results for one-dimensional and two-dimensional modulations and examining novel crystalline structures, as well. Consistently with previous results, we find that the energetically favored modulation is the so-called one-dimensional real-kink crystal. We propose a qualitative description of the pairing mechanism to motivate this result.

Nonlinear dynamics near the stability margin in rotating pipe flow

Science.gov (United States)

Yang, Z.; Leibovich, S.

1991-01-01

The nonlinear evolution of marginally unstable wave packets in rotating pipe flow is studied. These flows depend on two control parameters, which may be taken to be the axial Reynolds number R and a Rossby number, q. Marginal stability is realized on a curve in the (R, q)-plane, and the entire marginal stability boundary is explored. As the flow passes through any point on the marginal stability curve, it undergoes a supercritical Hopf bifurcation and the steady base flow is replaced by a traveling wave. The envelope of the wave system is governed by a complex Ginzburg-Landau equation. The Ginzburg-Landau equation admits Stokes waves, which correspond to standing modulations of the linear traveling wavetrain, as well as traveling wave modulations of the linear wavetrain. Bands of wavenumbers are identified in which the nonlinear modulated waves are subject to a sideband instability.

Connectivity and superconductivity

CERN Document Server

Rubinstein, Jacob

2000-01-01

The motto of connectivity and superconductivity is that the solutions of the Ginzburg--Landau equations are qualitatively influenced by the topology of the boundaries, as in multiply-connected samples. Special attention is paid to the "zero set", the set of the positions (also known as "quantum vortices") where the order parameter vanishes. The effects considered here usually become important in the regime where the coherence length is of the order of the dimensions of the sample. It takes the intuition of physicists and the awareness of mathematicians to find these new effects. In connectivity and superconductivity, theoretical and experimental physicists are brought together with pure and applied mathematicians to review these surprising results. This volume is intended to serve as a reference book for graduate students and researchers in physics or mathematics interested in superconductivity, or in the Schrödinger equation as a limiting case of the Ginzburg--Landau equations.

van der Waals criticality in AdS black holes: A phenomenological study

Science.gov (United States)

Bhattacharya, Krishnakanta; Majhi, Bibhas Ranjan; Samanta, Saurav

2017-10-01

Anti-de Sitter black holes exhibit van der Waals-type phase transition. In the extended phase-space formalism, the critical exponents for any spacetime metric are identical to the standard ones. Motivated by this fact, we give a general expression for the Helmholtz free energy near the critical point, which correctly reproduces these exponents. The idea is similar to the Landau model, which gives a phenomenological description of the usual second-order phase transition. Here, two main inputs are taken into account for the analysis: (a) black holes should have van der Waals-like isotherms, and (b) free energy can be expressed solely as a function of thermodynamic volume and horizon temperature. Resulting analysis shows that the form of Helmholtz free energy correctly encapsulates the features of the Landau function. We also discuss the isolated critical point accompanied by nonstandard values of critical exponents. The whole formalism is then extended to two other criticalities, namely, Y -X and T -S (based on the standard; i.e., nonextended phase space), where X and Y are generalized force and displacement, whereas T and S are the horizon temperature and entropy. We observe that in the former case Gibbs free energy plays the role of Landau function, whereas in the later case, that role is played by the internal energy (here, it is the black hole mass). Our analysis shows that, although the existence of a van der Waals phase transition depends on the explicit form of the black hole metric, the values of the critical exponents are universal in nature.

The Rubber Band Revisited: Wang-Landau Simulation

OpenAIRE

Ferreira, Lucas S.; Caparica, Alvaro A.; Neto, Minos A.; Galiceanu, Mircea D.

2012-01-01

In this work we apply Wang-Landau simulations to a simple model which has exact solutions both in the microcanonical and canonical formalisms. The simulations were carried out by using an updated version of the Wang-Landau sampling. We consider a homopolymer chain consisting of $N$ monomers units which may assume any configuration on the two-dimensional lattice. By imposing constraints to the moves of the polymers we obtain three different models. Our results show that updating the density of...

Temperature dependence of the experimental penetration depth of superconducting thin films

International Nuclear Information System (INIS)

Fink, H.J.; Gruenfeld, V.; Pastawski, H.

1982-01-01

Experimental magnetic field penetration depths delta(t,d,H) of the stable and superheated Meissner state were calculated as a function of temperature for various applied magnetic fields and various film thicknesses for two cases: (1) lambda(t)/d<< kappa→infinity and (2) kappa< or approx. =2lambda(t)/d (lambda is the Ginzburg-Landau penetration depth, d is the film thickness, kappa is the GL parameter). The results of the first case should be a useful tool for obtaining lambda(0) of amorphous superconducting thin films

Free-Free Transitions in the Presence of Laser Fields at Very Low Incident Electron Energy

Science.gov (United States)

Bhatia, A. K.; Sinha, Chandana

2010-01-01

We study the free-free transition in electron-hydrogenic systems in ground state in presence of an external laser field at very loud incident energies. The laser field is treated classically while the collision dynamics is treated quantum mechanically. The laser field is chosen to be monochromatic, linearly polarized and homogeneous. The incident electron is considered to be dressed by the laser in a nonperturbative manner by choosing a Volkov wave function for it. The scattering weave function for the electron is solved numerically by taking into account the effect of the electron exchange, short-range as well as of the long-range interactions to get the S and P wave phase shifts while for the higher angular momentum phase shifts the exchange approximation has only been considered. We calculate the laser assisted differential cross sections (LADCS) for the aforesaid free-free transition process for single photon absorption/emission. The laser intensity is chosen to be much less than the atomic field intensity. A strong suppression is noted in the LADCS as compared to the field free (FF) cross sections. Unlike the FF ones, the LADCS exhibit some oscillations having a distinct maximum at a low value of the scattering angle depending on the laser parameters as well as on the incident energies.

Effective-field-theory model for the fractional quantum Hall effect

International Nuclear Information System (INIS)

Zhang, S.C.; Hansson, T.H.; Kivelson, S.

1989-01-01

Starting directly from the microscopic Hamiltonian, we derive a field-theory model for the fractional quantum hall effect. By considering an approximate coarse-grained version of the same model, we construct a Landau-Ginzburg theory similar to that of Girvin. The partition function of the model exhibits cusps as a function of density and the Hall conductance is quantized at filling factors ν = (2k-1)/sup -1/ with k an arbitrary integer. At these fractions the ground state is incompressible, and the quasiparticles and quasiholes have fractional charge and obey fractional statistics. Finally, we show that the collective density fluctuations are massive

Possibility of Landau damping of gravitational waves

International Nuclear Information System (INIS)

Gayer, S.; Kennel, C.F.

1979-01-01

There is considerable uncertainty in the literature concerning whether or not transverse traceless gravitational waves can Landau damp. Physically, the issue is whether particles of nonzero mass can comove with surfaces of constant wave phase, and therefore, loosely, whether gravitational waves can have phase speeds less than that of light. We approach the question of Landau damping in various ways. We consider first the propagation of small-amplitude gravitational waves in an ideal fluid-filled Robertson-Walker universe of zero spatial curvature. We argue that the principle of equivalence requires those modes to be lightlike. We show that a freely moving particle interacting only with the collective fields cannot comove with such waves if it has nonzero mass. The equation for gravitational waves in collisionless kinetic gases differs from that for fluid media only by terms so small that deviations from lightlike propagation are unmeasurable. Thus, we conclude that Landau damping of small-amplitude, transverse traceless gravitational waves is not possible

Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level.

Science.gov (United States)

Olsson, Martin A; Söderhjelm, Pär; Ryde, Ulf

2016-06-30

In this article, the convergence of quantum mechanical (QM) free-energy simulations based on molecular dynamics simulations at the molecular mechanics (MM) level has been investigated. We have estimated relative free energies for the binding of nine cyclic carboxylate ligands to the octa-acid deep-cavity host, including the host, the ligand, and all water molecules within 4.5 Å of the ligand in the QM calculations (158-224 atoms). We use single-step exponential averaging (ssEA) and the non-Boltzmann Bennett acceptance ratio (NBB) methods to estimate QM/MM free energy with the semi-empirical PM6-DH2X method, both based on interaction energies. We show that ssEA with cumulant expansion gives a better convergence and uses half as many QM calculations as NBB, although the two methods give consistent results. With 720,000 QM calculations per transformation, QM/MM free-energy estimates with a precision of 1 kJ/mol can be obtained for all eight relative energies with ssEA, showing that this approach can be used to calculate converged QM/MM binding free energies for realistic systems and large QM partitions. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.

On superconductivity and superfluidity. A scientific autobiography

International Nuclear Information System (INIS)

Ginzburg, Vitaly L.

2009-01-01

This book presents the Nobel Laureate Vitaly Ginzburg's views on the development in the field of superconductivity. It contains a selection of Ginzburg's key writings, including his amended version of the Nobel lecture in Physics 2003. Also included are an expanded autobiography, which was written for the Nobel Committee, an article entitled ''A Scientific Autobiography: An Attempt,'' a fundamental article co-written with L.D. Landau entitled ''To the theory of superconductivity,'' an expanded review article ''Superconductivity and superfluidity (what was done and what was not done),'' and some newly written short articles about superconductivity and related subjects. So, in toto, presented here are the personal contributions of Ginzburg, that resulted in the Nobel Prize, in the context of his scientific biography. (orig.)

On superconductivity and superfluidity a scientific autobiography

CERN Document Server

Ginzburg, Vitalii Lazarevich

2009-01-01

This book presents the Nobel Laureate Vitaly Ginzburg's views on the development in the field of superconductivity. It contains a selection of Ginzburg's key writings, including his amended version of the Nobel lecture in Physics 2003. Also included are an expanded autobiography, which was written for the Nobel Committee, an article entitled "A Scientific Autobiography: An Attempt," a fundamental article co-written with L.D. Landau entitled "To the theory of superconductivity," an expanded review article "Superconductivity and superfluidity (what was done and what was not done)," and some newly written short articles about superconductivity and related subjects. So, in toto, presented here are the personal contributions of Ginzburg, that resulted in the Nobel Prize, in the context of his scientific biography.

The lowest Landau level in QCD

Directory of Open Access Journals (Sweden)

Bruckmann Falk

2017-01-01

Full Text Available The thermodynamics of Quantum Chromodynamics (QCD in external (electro-magnetic fields shows some unexpected features like inverse magnetic catalysis, which have been revealed mainly through lattice studies. Many effective descriptions, on the other hand, use Landau levels or approximate the system by just the lowest Landau level (LLL. Analyzing lattice configurations we ask whether such a picture is justified. We find the LLL to be separated from the rest by a spectral gap in the two-dimensional Dirac operator and analyze the corresponding LLL signature in four dimensions. We determine to what extent the quark condensate is LLL dominated at strong magnetic fields.

Pinning and creep in superconductors

International Nuclear Information System (INIS)

Ovchinnikov, Yu.N.

1994-01-01

All superconductors can be separated into two large groups: type I and type II. The behaviour of these two groups in a magnetic field is quite different. The superconductors of type I, in a strong magnetic field, enter the intermediate state. Phenomenological picture of this state was given by Landau. The type II superconductors, in strong magnetic fields, form the mixed state (or Shubnikov phase). The microscopic picture of the mixed state was given by Abrikosov on the basis of Ginzburg-Landau equations. In ideal homogeneous superconductors the free energy is not changed if all the vortex structure is shifted on some distance u. The transport current will be proportional, therefore, to the electric field E. All the real superconductors, however, are inhomogeneous. Inhomogeneities interact with vortex lattice and pin it. In this new state the transport current below some critical value does not lead to the motion of the flux lattice and to the energy dissipation. The value of critical current strongly depends on the type of inhomogeneities, on the value of magnetic field and on temperature. In new layered superconductors, the critical current depends also on the orientation of the magnetic field B with respect to the layer planes. Temperature and quantum fluctuations lead to the transition between different metastable states in superconductors with current. As a result, the vortex lattice slowly moves (creep phenomenon). Below we will briefly discuss all these phenomena. (orig.)

Modulated Langmuir waves and nonlinear Landau damping

International Nuclear Information System (INIS)

Yajima, Nobuo; Oikawa, Masayuki; Satsuma, Junkichi; Namba, Chusei.

1975-01-01

The nonlinear Schroedinger euqation with an integral term, iusub(t)+P/2.usub(xx)+Q/u/ 2 u+RP∫sub(-infinity)sup(infinity)[/u(x',t)/ 2 /(x-x')]dx'u=0, which describes modulated Langmuir waves with the nonlinear Landau damping effect, is solved by numerical calculations. Especially, the effects of nonlinear Landau damping on solitary wave solutions are studied. For both cases, PQ>0 and PQ<0, the results show that the solitary waves deform in an asymmetric way changing its velocity. (auth.)

Models of high-Tc superconductivity and applications to electric generators and motors

DEFF Research Database (Denmark)

Sørensen, Mads Peter

We present the Ginzburg Landau model for mesoscopic high-Tc superconductors of complex geometry. It is shown that giant vortices can form at boundary defects. The relation between total magnetic flux penetration through the superconductor and the externally applied field is established. This is i...

Emotional valence and the free-energy principle.

Science.gov (United States)

Joffily, Mateus; Coricelli, Giorgio

2013-01-01

The free-energy principle has recently been proposed as a unified Bayesian account of perception, learning and action. Despite the inextricable link between emotion and cognition, emotion has not yet been formulated under this framework. A core concept that permeates many perspectives on emotion is valence, which broadly refers to the positive and negative character of emotion or some of its aspects. In the present paper, we propose a definition of emotional valence in terms of the negative rate of change of free-energy over time. If the second time-derivative of free-energy is taken into account, the dynamics of basic forms of emotion such as happiness, unhappiness, hope, fear, disappointment and relief can be explained. In this formulation, an important function of emotional valence turns out to regulate the learning rate of the causes of sensory inputs. When sensations increasingly violate the agent's expectations, valence is negative and increases the learning rate. Conversely, when sensations increasingly fulfil the agent's expectations, valence is positive and decreases the learning rate. This dynamic interaction between emotional valence and learning rate highlights the crucial role played by emotions in biological agents' adaptation to unexpected changes in their world.

Emotional valence and the free-energy principle.

Directory of Open Access Journals (Sweden)

Mateus Joffily

Full Text Available The free-energy principle has recently been proposed as a unified Bayesian account of perception, learning and action. Despite the inextricable link between emotion and cognition, emotion has not yet been formulated under this framework. A core concept that permeates many perspectives on emotion is valence, which broadly refers to the positive and negative character of emotion or some of its aspects. In the present paper, we propose a definition of emotional valence in terms of the negative rate of change of free-energy over time. If the second time-derivative of free-energy is taken into account, the dynamics of basic forms of emotion such as happiness, unhappiness, hope, fear, disappointment and relief can be explained. In this formulation, an important function of emotional valence turns out to regulate the learning rate of the causes of sensory inputs. When sensations increasingly violate the agent's expectations, valence is negative and increases the learning rate. Conversely, when sensations increasingly fulfil the agent's expectations, valence is positive and decreases the learning rate. This dynamic interaction between emotional valence and learning rate highlights the crucial role played by emotions in biological agents' adaptation to unexpected changes in their world.

Phase structure and critical properties of an abelian gauge theory

Energy Technology Data Exchange (ETDEWEB)

Mo, Sjur

2001-12-01

The main new results are presented in the form of three papers at the end of this thesis. The main topic is Monte-Carlo studies of the phase structure and critical properties of the phenomenological Ginzburg-Landau model, i.e. an abelian gauge theory. However, the first paper is totally different and deals with microscopic theory for lattice-fermions in a magnetic field. Paper I is about ''Fermion-pairing on a square lattice in extreme magnetic fields''. We consider the Cooper-problem on a two-dimensional, square lattice with a uniform, perpendicular magnetic field. Only rational flux fractions are considered. An extended (real-space) Hubbard model including nearest and next nearest neighbor interactions is transformed to ''k-space'', or more precisely, to the space of eigenfunctions of Harper's equation, which constitute basis functions of the magnetic translation group for the lattice. A BCS-like truncation of the interaction term is performed. Expanding the interactions in the basis functions of the irreducible representations of the point group C{sub 4{nu}} of the square lattice simplify calculations. The numerical results indicate enhanced binding compared to zero magnetic field, and thus re-entrant superconducting pairing at extreme magnetic fields, well beyond the point where the usual semi-classical treatment of the magnetic field breaks down. Paper II is about the ''Hausdorff dimension of critical fluctuations in abelian gauge theories''. Here we analyze the geometric properties of the line-like critical fluctuations (vortex loops) in the Ginzburg-Landau model in zero magnetic background field. By using a dual description, we obtain scaling relations between exponents of geometric arid thermodynamic nature. In particular we connect the anomalous scaling dimension {eta} of the dual matter field to the Hausdorff or fractal dimension D{sub H} of the critical fluctuations, in the original model

An ab initio approach to free-energy reconstruction using logarithmic mean force dynamics

International Nuclear Information System (INIS)

Nakamura, Makoto; Obata, Masao; Morishita, Tetsuya; Oda, Tatsuki

2014-01-01

We present an ab initio approach for evaluating a free energy profile along a reaction coordinate by combining logarithmic mean force dynamics (LogMFD) and first-principles molecular dynamics. The mean force, which is the derivative of the free energy with respect to the reaction coordinate, is estimated using density functional theory (DFT) in the present approach, which is expected to provide an accurate free energy profile along the reaction coordinate. We apply this new method, first-principles LogMFD (FP-LogMFD), to a glycine dipeptide molecule and reconstruct one- and two-dimensional free energy profiles in the framework of DFT. The resultant free energy profile is compared with that obtained by the thermodynamic integration method and by the previous LogMFD calculation using an empirical force-field, showing that FP-LogMFD is a promising method to calculate free energy without empirical force-fields

A fast tomographic method for searching the minimum free energy path

International Nuclear Information System (INIS)

Chen, Changjun; Huang, Yanzhao; Xiao, Yi; Jiang, Xuewei

2014-01-01

Minimum Free Energy Path (MFEP) provides a lot of important information about the chemical reactions, like the free energy barrier, the location of the transition state, and the relative stability between reactant and product. With MFEP, one can study the mechanisms of the reaction in an efficient way. Due to a large number of degrees of freedom, searching the MFEP is a very time-consuming process. Here, we present a fast tomographic method to perform the search. Our approach first calculates the free energy surfaces in a sequence of hyperplanes perpendicular to a transition path. Based on an objective function and the free energy gradient, the transition path is optimized in the collective variable space iteratively. Applications of the present method to model systems show that our method is practical. It can be an alternative approach for finding the state-to-state MFEP

Stability analysis of cavity solitons governed by the cubic-quintic Ginzburg-Landau equation

International Nuclear Information System (INIS)

Ding, Edwin; Kutz, J Nathan; Luh, Kyle

2011-01-01

A theoretical model is proposed to describe the formation of two-dimensional solitons in a laser cavity, extending the concept of the mode locking of temporal solitons in fibre lasers to spatial mode locking in nonlinear crystals. A linear stability analysis of the governing model based upon radial symmetry is performed to characterize the multi-pulsing instability of the laser as a function of gain. It is found that a stable n-pulse solution of the system bifurcates into a (n + 1)-pulse solution through the development of a periodic solution (Hopf bifurcation), and the results are consistent with simulations of the full model.

Vitaly Ginzburg and high temperature superconductivity: Personal reminiscences

International Nuclear Information System (INIS)

Mazin, Igor I.

2008-01-01

This article is an attempt to give Western readers, as well as young researchers in Russia, a glance at the atmosphere in one of the leading physics institutions in the USSR from 1977-1988, through the eye of a graduate student and later a posdoc in the theory group led by Vitaly Ginzburg, arguably the most enthusiatic proponent of high-temperature superconductivity before the discovery of Bednorz and Muller. This is a very personal narration, wherein the events of my own life and career are inevitably intertwined with scientific events and with my reminiscences of great Russian physicists whom I had the pleasure to meet with while working in the 'High-Temperature Superconductivity Section' at the Lebedev Institute within the aforementioned 12 years

Composite Fermi surface in the half-filled Landau level with anisotropic electron mass

Science.gov (United States)

Ippoliti, Matteo; Geraedts, Scott; Bhatt, Ravindra

We study the problem of interacting electrons in the lowest Landau level at half filling in the quantum Hall regime, when the electron dispersion is given by an anisotropic mass tensor. Based on experimental observations and theoretical arguments, the ground state of the system is expected to consist of composite Fermions filling an elliptical Fermi sea, with the anisotropy of the ellipse determined by the competing effects of the isotropic Coulomb interaction and anisotropic electron mass tensor. We test this idea quantitatively by using a numerical density matrix renormalization group method for quantum Hall systems on an infinitely long cylinder. Singularities in the structure factor allow us to map the Fermi surface of the composite Fermions. We compute the composite Fermi surface anisotropy for several values of the electron mass anisotropy which allow us to deduce the functional dependence of the former on the latter. This research was supported by Department of Energy Office of Basic Energy Sciences through Grant No. DE-SC0002140.

Evolutionary algorithms applied to Landau-gauge fixing

International Nuclear Information System (INIS)

Markham, J.F.

1998-01-01

Current algorithms used to put a lattice gauge configuration into Landau gauge either suffer from the problem of critical slowing-down or involve an additions computational expense to overcome it. Evolutionary Algorithms (EAs), which have been widely applied to other global optimisation problems, may be of use in gauge fixing. Also, being global, they should not suffer from critical slowing-down as do local gradient based algorithms. We apply EA'S and also a Steepest Descent (SD) based method to the problem of Landau Gauge Fixing and compare their performance. (authors)

Tuning of graphene nanoribbon Landau levels by a nanotube

International Nuclear Information System (INIS)

Li, T S; Chang, S C; Lin, M F

2009-01-01

We investigate theoretically the effects of a nanotube on the graphene nanoribbon Landau level spectrum utilizing the tight-binding model. The addition of a nanotube changes the original dispersionless Landau subbands into distorted parabolic ones, creates additional band-edge states, and modifies the subband spacings. Moreover, the dispersion relations rely sensitively on the nanotube location. The nanotube-ribbon couplings disrupt the Landau wavefunctions and lift their spatial symmetry, which will change the selection rule of optical transitions. The numbers, frequencies and heights of the density of states (DOS) peaks are found to be strongly dependent on the magnetic flux density and the nanotube location. The evolution of the DOS peak with the magnetic flux density is explored. The graphene nanoribbon Landau levels are shown to be modified in an unexpected fashion by the nanotube-ribbon interactions. These predictions can be validated by measuring the spectra of scanning tunneling experiments or magneto-optical experiments, and they are most observable by placing the nanotube at the electron wavefunction localization sites.

The Magnetic Free Energy in Active Regions

Science.gov (United States)

Metcalf, Thomas R.; Mickey, Donald L.; LaBonte, Barry J.

2001-01-01

The magnetic field permeating the solar atmosphere governs much of the structure, morphology, brightness, and dynamics observed on the Sun. The magnetic field, especially in active regions, is thought to provide the power for energetic events in the solar corona, such as solar flares and Coronal Mass Ejections (CME) and is believed to energize the hot coronal plasma seen in extreme ultraviolet or X-rays. The question remains what specific aspect of the magnetic flux governs the observed variability. To directly understand the role of the magnetic field in energizing the solar corona, it is necessary to measure the free magnetic energy available in active regions. The grant now expiring has demonstrated a new and valuable technique for observing the magnetic free energy in active regions as a function of time.

Landau levels and magneto-transport property of monolayer phosphorene

Science.gov (United States)

Zhou, X. Y.; Zhang, R.; Sun, J. P.; Zou, Y. L.; Zhang, D.; Lou, W. K.; Cheng, F.; Zhou, G. H.; Zhai, F.; Chang, Kai

2015-01-01

We investigate theoretically the Landau levels (LLs) and magneto-transport properties of phosphorene under a perpendicular magnetic field within the framework of the effective k·p Hamiltonian and tight-binding (TB) model. At low field regime, we find that the LLs linearly depend both on the LL index n and magnetic field B, which is similar with that of conventional semiconductor two-dimensional electron gas. The Landau splittings of conduction and valence band are different and the wavefunctions corresponding to the LLs are strongly anisotropic due to the different anisotropic effective masses. An analytical expression for the LLs in low energy regime is obtained via solving the decoupled Hamiltonian, which agrees well with the numerical calculations. At high magnetic regime, a self-similar Hofstadter butterfly (HB) spectrum is obtained by using the TB model. The HB spectrum is consistent with the LL fan calculated from the effective k·p theory in a wide regime of magnetic fields. We find the LLs of phosphorene nanoribbon depend strongly on the ribbon orientation due to the anisotropic hopping parameters. The Hall and the longitudinal conductances (resistances) clearly reveal the structure of LLs. PMID:26159856

Symmetric Double Quantum Dot Energy States in a High Magnetic Field

International Nuclear Information System (INIS)

Morgenstern Horing, Norman J; Sawamura, Makoto

2011-01-01

The dynamical Green's function and energy spectrum of a 2D symmetric quantum double-dot system on a planar host in a normal magnetic field are analyzed here, representing the two dots by Dirac delta function potentials. The proliferation of energy levels due to Landau quantization is examined in detail.

Ten themes of viscous liquid dynamics

DEFF Research Database (Denmark)

Dyre, J. C.

2007-01-01

Ten ‘themes' of viscous liquid physics are discussed with a focus on how they point to a general description of equilibrium viscous liquid dynamics (i.e., fluctuations) at a given temperature. This description is based on standard time-dependent Ginzburg-Landau equations for the density fields...

Mass and free energy of Lovelock black holes

International Nuclear Information System (INIS)

Kastor, David; Traschen, Jennie; Ray, Sourya

2011-01-01

An explicit formula for the ADM mass of an asymptotically AdS black hole in a generic Lovelock gravity theory is presented, identical in form to that in Einstein gravity, but multiplied by a function of the Lovelock coupling constants and the AdS curvature radius. A Gauss' law-type formula relates the mass, which is an integral at infinity, to an expression depending instead on the horizon radius. This and other thermodynamic quantities, such as the free energy, are then analyzed in the limits of small and large horizon radius, yielding results that are independent of the detailed choice of Lovelock couplings. In even dimensions, the temperature diverges in both limits, implying the existence of a minimum temperature for black holes. The negative free energy of sufficiently large black holes implies the existence of a Hawking-Page transition. In odd dimensions, the temperature still diverges for large black holes, which again have negative free energy. However, the temperature vanishes as the horizon radius tends to zero and sufficiently small black holes have positive specific heat.

Alteration of the ground state by external magnetic fields. [External field, coupling constant ratio, static tree level approximation

Energy Technology Data Exchange (ETDEWEB)

Harrington, B J; Shepard, H K [New Hampshire Univ., Durham (USA). Dept. of Physics

1976-03-22

By fully exploiting the mathematical and physical analogy to the Ginzburg-Landau theory of superconductivity, a complete discussion of the ground state behavior of the four-dimensional Abelian Higgs model in the static tree level approximation is presented. It is shown that a sufficiently strong external magnetic field can alter the ground state of the theory by restoring a spontaneously broken symmetry, or by creating a qualitatively different 'vortex' state. The energetically favored ground state is explicitly determined as a function of the external field and the ratio between coupling constants of the theory.

Emergence of superconductivity in topological insulator Bi{sub 2}Se{sub 3} by Sr intercalation

Energy Technology Data Exchange (ETDEWEB)

Shruti,; Maurya, V. K.; Srivastava, P.; Patnaik, S., E-mail: spatnaik@mail.jnu.ac.in [School of Physical Sciences, Jawaharlal Nehru University, New Delhi-110067 (India)

2016-05-23

Recently superconductivity wasreported by Sr intercalation in topological insulator Bi{sub 2}Se{sub 3}. In this report we extensively study anisotropic superconducting properties of Sr{sub 0.1}Bi{sub 2}Se{sub 3} with transition at ~2.9 through resistivity and DC magnetization measurement. We also discuss synthesis methodology for growth of single crystal Sr-Bi{sub 2}Se{sub 3}. The anisotropic properties of Sr{sub 0.1}Bi{sub 2}Se{sub 3} single crystals were studied using transport measurements. Using Ginzburg Landau formulas the upper critical field H{sub c2}(0) comes out to be 2.1 T and 1.4 T for magnetic field applied along the ab-plane and c-axis of the single crystalsand corresponding Ginzburg - Landau coherence lengths are ξ{sub ab} = 15.3 nm and ξ{sub c} = 10.2 nm. The sample shows weak electronic anisotropy Γ = 1.5. Hall resistivity is linear with field at 10 K.

Mixing of charged and neutral Bose condensates at nonzero temperature and magnetic field

Directory of Open Access Journals (Sweden)

Haber Alexander

2017-01-01

Full Text Available It is expected that in the interior of compact stars a proton superconductor coexists with and couples to a neutron superfluid. Starting from a field-theoretical model for two complex scalar fields – one of which is electrically charged – we derive a Ginzburg-Landau potential which includes entrainment between the two fluids and temperature effects from thermal excitations of the two scalar fields and the gauge field. The Ginzburg-Landau description is then used for an analysis of the phase structure in the presence of an external magnetic field. In particular, we study the effect of the superfluid on the flux tube phase by computing the various critical magnetic fields and deriving an approximation for the flux tube interaction. As a result, we point out differences to the naive expectations from an isolated superconductor, for instance the existence of a first-order flux tube onset, resulting in a more complicated phase structure in the region between type-I and type-II superconductivity.

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

Science.gov (United States)

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.

Discretisation errors in Landau gauge on the lattice

International Nuclear Information System (INIS)

Bonnet DR, Frederic; Bowman O, Patrick; Leinweber B, Derek; Williams G, Anthony; Richards G, David G.

1999-01-01

Lattice discretization errors in the Landau gauge condition are examined. An improved gauge fixing algorithm in which O(a 2 ) errors are removed is presented. O(a 2 ) improvement of the gauge fixing condition improves comparison with continuum Landau gauge in two ways: (1) through the elimination of O(a 2 ) errors and (2) through a secondary effect of reducing the size of higher-order errors. These results emphasize the importance of implementing an improved gauge fixing condition

Landau-de Gennes theory of surface-enhanced ordering in smectic films.

Science.gov (United States)

Shalaginov, A N; Sullivan, D E

2001-03-01

A Landau theory for surface-enhanced ordering in smectic-A free-standing films is described, based on a generalization of de Gennes' model for a "presmectic" fluid confined between two walls. According to the theory, smectic ordering in free-standing films heated above the bulk smectic melting temperature is due to an intrinsic surface contribution rather than an external field. The theory yields a persistent finite-size effect, in that the film melting temperatures do not tend to the bulk transition temperature in the limit of infinite film thickness. It also predicts that a continuous transition from (N+1)- to N-layer films is impossible without an external field. The theory closely fits existing experimental data on layer-thinning transitions in compounds which exhibit a bulk smectic-A to nematic phase transition. Possible origins of the intrinsic surface contribution are discussed.

Stresses in non-equilibrium fluids: Exact formulation and coarse-grained theory

Science.gov (United States)

Krüger, Matthias; Solon, Alexandre; Démery, Vincent; Rohwer, Christian M.; Dean, David S.

2018-02-01

Starting from the stochastic equation for the density operator, we formulate the exact (instantaneous) stress tensor for interacting Brownian particles and show that its average value agrees with expressions derived previously. We analyze the relation between the stress tensor and forces due to external potentials and observe that, out of equilibrium, particle currents give rise to extra forces. Next, we derive the stress tensor for a Landau-Ginzburg theory in generic, non-equilibrium situations, finding an expression analogous to that of the exact microscopic stress tensor, and discuss the computation of out-of-equilibrium (classical) Casimir forces. Subsequently, we give a general form for the stress tensor which is valid for a large variety of energy functionals and which reproduces the two mentioned cases. We then use these relations to study the spatio-temporal correlations of the stress tensor in a Brownian fluid, which we compute to leading order in the interaction potential strength. We observe that, after integration over time, the spatial correlations generally decay as power laws in space. These are expected to be of importance for driven confined systems. We also show that divergence-free parts of the stress tensor do not contribute to the Green-Kubo relation for the viscosity.

Dynamics of superfluid helium-3 in flow channels with restricted geometries

International Nuclear Information System (INIS)

Kopnin, N.B.

1986-01-01

The dynamics of superfluid helium-3 in flow channels with transverse sizes smaller than the mean free path of quasiparticles with respect to collisions with each other is considered, taking into account the diffusive reflection of quasiparticles from the walls. For quasiclassical Green functions the boundary conditions obtained by Ovchinnikov for the similar problem in superconductors have been used. Equations are derived defining the behavior of the difference between chemical potentials of normal and superfluid components of helium-3. These equations describe a phenomenon similar to the branch imbalance (or charge imbalance) in superconductors, and determine the relaxation depth of the pressure gradient in superfluid helium-3. The time-dependent GinzburgLandau equations are also obtained for the order parameter in the case when the transverse size of the channel is close to the critical value when the superfluid transition temperature goes to zero. The approach makes it possible to study theoretically effects related to the overcritical flows of superfluid helium-3 through narrow channels under pressure

Relativistic electron beam acceleration by cascading nonlinear Landau damping of electromagnetic waves in a plasma

International Nuclear Information System (INIS)

Sugaya, R.; Ue, A.; Maehara, T.; Sugawa, M.

1996-01-01

Acceleration and heating of a relativistic electron beam by cascading nonlinear Landau damping involving three or four intense electromagnetic waves in a plasma are studied theoretically based on kinetic wave equations and transport equations derived from relativistic Vlasov endash Maxwell equations. Three or four electromagnetic waves excite successively two or three nonresonant beat-wave-driven relativistic electron plasma waves with a phase velocity near the speed of light [v p =c(1-γ -2 p ) 1/2 , γ p =ω/ω pe ]. Three beat waves interact nonlinearly with the electron beam and accelerate it to a highly relativistic energy γ p m e c 2 more effectively than by the usual nonlinear Landau damping of two electromagnetic waves. It is proved that the electron beam can be accelerated to more highly relativistic energy in the plasma whose electron density decreases temporally with an appropriate rate because of the temporal increase of γ p . copyright 1996 American Institute of Physics

Quantum corrections to nonlinear ion acoustic wave with Landau damping

Energy Technology Data Exchange (ETDEWEB)

Mukherjee, Abhik; Janaki, M. S. [Saha Institute of Nuclear Physics, Calcutta (India); Bose, Anirban [Serampore College, West Bengal (India)

2014-07-15

Quantum corrections to nonlinear ion acoustic wave with Landau damping have been computed using Wigner equation approach. The dynamical equation governing the time development of nonlinear ion acoustic wave with semiclassical quantum corrections is shown to have the form of higher KdV equation which has higher order nonlinear terms coming from quantum corrections, with the usual classical and quantum corrected Landau damping integral terms. The conservation of total number of ions is shown from the evolution equation. The decay rate of KdV solitary wave amplitude due to the presence of Landau damping terms has been calculated assuming the Landau damping parameter α{sub 1}=√(m{sub e}/m{sub i}) to be of the same order of the quantum parameter Q=ℏ{sup 2}/(24m{sup 2}c{sub s}{sup 2}L{sup 2}). The amplitude is shown to decay very slowly with time as determined by the quantum factor Q.

Landau quantization of Dirac fermions in graphene and its multilayers

Science.gov (United States)

Yin, Long-Jing; Bai, Ke-Ke; Wang, Wen-Xiao; Li, Si-Yu; Zhang, Yu; He, Lin

2017-08-01

When electrons are confined in a two-dimensional (2D) system, typical quantum-mechanical phenomena such as Landau quantization can be detected. Graphene systems, including the single atomic layer and few-layer stacked crystals, are ideal 2D materials for studying a variety of quantum-mechanical problems. In this article, we review the experimental progress in the unusual Landau quantized behaviors of Dirac fermions in monolayer and multilayer graphene by using scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS). Through STS measurement of the strong magnetic fields, distinct Landau-level spectra and rich level-splitting phenomena are observed in different graphene layers. These unique properties provide an effective method for identifying the number of layers, as well as the stacking orders, and investigating the fundamentally physical phenomena of graphene. Moreover, in the presence of a strain and charged defects, the Landau quantization of graphene can be significantly modified, leading to unusual spectroscopic and electronic properties.

Coexistence of synchrony and incoherence in oscillatory media under nonlinear global coupling

Energy Technology Data Exchange (ETDEWEB)

Schmidt, Lennart; García-Morales, Vladimir [Physik-Department, Nonequilibrium Chemical Physics, Technische Universität München, James-Franck-Str. 1, D-85748 Garching (Germany); Institute for Advanced Study, Technische Universität München, Lichtenbergstr. 2a, D-85748 Garching (Germany); Schönleber, Konrad; Krischer, Katharina, E-mail: krischer@tum.de [Physik-Department, Nonequilibrium Chemical Physics, Technische Universität München, James-Franck-Str. 1, D-85748 Garching (Germany)

2014-03-15

We report a novel mechanism for the formation of chimera states, a peculiar spatiotemporal pattern with coexisting synchronized and incoherent domains found in ensembles of identical oscillators. Considering Stuart-Landau oscillators, we demonstrate that a nonlinear global coupling can induce this symmetry breaking. We find chimera states also in a spatially extended system, a modified complex Ginzburg-Landau equation. This theoretical prediction is validated with an oscillatory electrochemical system, the electro-oxidation of silicon, where the spontaneous formation of chimeras is observed without any external feedback control.

Diabat Interpolation for Polymorph Free-Energy Differences.

Science.gov (United States)

Kamat, Kartik; Peters, Baron

2017-02-02

Existing methods to compute free-energy differences between polymorphs use harmonic approximations, advanced non-Boltzmann bias sampling techniques, and/or multistage free-energy perturbations. This work demonstrates how Bennett's diabat interpolation method ( J. Comput. Phys. 1976, 22, 245 ) can be combined with energy gaps from lattice-switch Monte Carlo techniques ( Phys. Rev. E 2000, 61, 906 ) to swiftly estimate polymorph free-energy differences. The new method requires only two unbiased molecular dynamics simulations, one for each polymorph. To illustrate the new method, we compute the free-energy difference between face-centered cubic and body-centered cubic polymorphs for a Gaussian core solid. We discuss the justification for parabolic models of the free-energy diabats and similarities to methods that have been used in studies of electron transfer.

Stochastic resonance based on modulation instability in spatiotemporal chaos.

Science.gov (United States)

Han, Jing; Liu, Hongjun; Huang, Nan; Wang, Zhaolu

2017-04-03

A novel dynamic of stochastic resonance in spatiotemporal chaos is presented, which is based on modulation instability of perturbed partially coherent wave. The noise immunity of chaos can be reinforced through this effect and used to restore the coherent signal information buried in chaotic perturbation. A theoretical model with fluctuations term is derived from the complex Ginzburg-Landau equation via Wigner transform. It shows that through weakening the nonlinear threshold and triggering energy redistribution, the coherent component dominates the instability damped by incoherent component. The spatiotemporal output showing the properties of stochastic resonance may provide a potential application of signal encryption and restoration.

Calculation of free-energy differences from computer simulations of initial and final states

International Nuclear Information System (INIS)

Hummer, G.; Szabo, A.

1996-01-01

A class of simple expressions of increasing accuracy for the free-energy difference between two states is derived based on numerical thermodynamic integration. The implementation of these formulas requires simulations of the initial and final (and possibly a few intermediate) states. They involve higher free-energy derivatives at these states which are related to the moments of the probability distribution of the perturbation. Given a specified number of such derivatives, these integration formulas are optimal in the sense that they are exact to the highest possible order of free-energy perturbation theory. The utility of this approach is illustrated for the hydration free energy of water. This problem provides a quite stringent test because the free energy is a highly nonlinear function of the charge so that even fourth order perturbation theory gives a very poor estimate of the free-energy change. Our results should prove most useful for complex, computationally demanding problems where free-energy differences arise primarily from changes in the electrostatic interactions (e.g., electron transfer, charging of ions, protonation of amino acids in proteins). copyright 1996 American Institute of Physics

Landau levels from neutral Bogoliubov particles in two-dimensional nodal superconductors under strain and doping gradients

Science.gov (United States)

Nica, Emilian M.; Franz, Marcel

2018-02-01

Motivated by recent work on strain-induced pseudomagnetic fields in Dirac and Weyl semimetals, we analyze the possibility of analogous fields in two-dimensional nodal superconductors. We consider the prototypical case of a d -wave superconductor, a representative of the cuprate family, and find that the presence of weak, spatially varying strain leads to pseudomagnetic fields and Landau quantization of Bogoliubov quasiparticles in the low-energy sector. A similar effect is induced by the presence of generic, weak doping gradients. In contrast to genuine magnetic fields in superconductors, the strain- and doping-gradient-induced pseudomagnetic fields couple in a way that preserves time-reversal symmetry and is not subject to the screening associated with the Meissner effect. These effects can be probed by tuning weak applied supercurrents which lead to shifts in the energies of the Landau levels and hence to quantum oscillations in thermodynamic and transport quantities.

On superconductivity and superfluidity. A scientific autobiography

Energy Technology Data Exchange (ETDEWEB)

Ginzburg, Vitaly L. [Russian Academy of Sciences, Moscow (Russian Federation). P.N. Lebedev Physical Inst.

2009-07-01

This book presents the Nobel Laureate Vitaly Ginzburg's views on the development in the field of superconductivity. It contains a selection of Ginzburg's key writings, including his amended version of the Nobel lecture in Physics 2003. Also included are an expanded autobiography, which was written for the Nobel Committee, an article entitled 'A Scientific Autobiography: An Attempt,' a fundamental article co-written with L.D. Landau entitled 'To the theory of superconductivity,' an expanded review article 'Superconductivity and superfluidity (what was done and what was not done),' and some newly written short articles about superconductivity and related subjects. So, in toto, presented here are the personal contributions of Ginzburg, that resulted in the Nobel Prize, in the context of his scientific biography. (orig.)

Free energy analysis of cell spreading.

Science.gov (United States)

McEvoy, Eóin; Deshpande, Vikram S; McGarry, Patrick

2017-10-01

In this study we present a steady-state adaptation of the thermodynamically motivated stress fiber (SF) model of Vigliotti et al. (2015). We implement this steady-state formulation in a non-local finite element setting where we also consider global conservation of the total number of cytoskeletal proteins within the cell, global conservation of the number of binding integrins on the cell membrane, and adhesion limiting ligand density on the substrate surface. We present a number of simulations of cell spreading in which we consider a limited subset of the possible deformed spread-states assumed by the cell in order to examine the hypothesis that free energy minimization drives the process of cell spreading. Simulations suggest that cell spreading can be viewed as a competition between (i) decreasing cytoskeletal free energy due to strain induced assembly of cytoskeletal proteins into contractile SFs, and (ii) increasing elastic free energy due to stretching of the mechanically passive components of the cell. The computed minimum free energy spread area is shown to be lower for a cell on a compliant substrate than on a rigid substrate. Furthermore, a low substrate ligand density is found to limit cell spreading. The predicted dependence of cell spread area on substrate stiffness and ligand density is in agreement with the experiments of Engler et al. (2003). We also simulate the experiments of Théry et al. (2006), whereby initially circular cells deform and adhere to "V-shaped" and "Y-shaped" ligand patches. Analysis of a number of different spread states reveals that deformed configurations with the lowest free energy exhibit a SF distribution that corresponds to experimental observations, i.e. a high concentration of highly aligned SFs occurs along free edges, with lower SF concentrations in the interior of the cell. In summary, the results of this study suggest that cell spreading is driven by free energy minimization based on a competition between decreasing

Discretisation errors in Landau gauge on the lattice

International Nuclear Information System (INIS)

Bonnet, F.D.R.; Bowmen, P.O.; Leinweber, D.B.

1999-01-01

Lattice discretisation errors in the Landau gauge condition are examined. An improved gauge fixing algorithm in which O(a 2 ) errors are removed is presented. O(a 2 ) improvement of the gauge fixing condition improves comparison with the continuum Landau gauge in two ways: (1) through the elimination of O(a 2 ) errors and (2) through a secondary effect of reducing the size of higher-order errors. These results emphasise the importance of implementing an improved gauge fixing condition. Copyright (1999) CSIRO Australia

Inertial Josephson relation for FIR frequencies

Czech Academy of Sciences Publication Activity Database

Lin, P.J.; Lipavský, Pavel; Matlock, P.

2012-01-01

Roč. 376, 6-7 (2012), s. 883-885 ISSN 0375-9601 R&D Projects: GA ČR(CZ) GAP204/11/0015 Institutional support: RVO:68378271 Keywords : non-equilibrium superconductivity * time-dependent Ginzburg-Landau theory Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.766, year: 2012

Symmetry breaking and restoration in gauge theories

International Nuclear Information System (INIS)

Natale, A.A.

A review is made of the utilization of the Higgs mechanism in spontaneous symmetry breaking. It is shown that such as ideas came from an analogy with the superconductivity phenomenological theory based on a Ginzburg-Landau lagrangean. The symmetry restoration through the temperature influence is studied. (L.C.) [pt

Resonance – Journal of Science Education | News

Indian Academy of Sciences (India)

We describe how Wilson's concept of the renormalizationgroup revolutionized our understanding of the physics ofphase transitions, and of quantum field theory in general. Weunderline the key ideas of Wilson, based on earlier ideas ofLandau, Ginzburg, Kadanoff and many others, which gaveus an insight into the observed ...

Landau-Placzek ratio for heat density dynamics and its application to heat capacity of liquids.

Science.gov (United States)

Bryk, Taras; Ruocco, Giancarlo; Scopigno, Tullio

2013-01-21

Exact relation for contributions to heat capacity of liquids is obtained from hydrodynamic theory. It is shown from analysis of the long-wavelength limit of heat density autocorrelation functions that the heat capacity of simple liquids is represented as a sum of two contributions due to "phonon-like" collective excitations and heat relaxation. The ratio of both contributions being the analogy of Landau-Placzek ratio for heat processes depends on the specific heats ratio. The theory of heat density autocorrelation functions in liquids is verified by computer simulations. Molecular dynamics simulations for six liquids having the ratio of specific heats γ in the range 1.1-2.3, were used for evaluation of the heat density autocorrelation functions and predicted Landau-Placzek ratio for heat processes. The dependence of contributions from collective excitations and heat relaxation process to specific heat on γ is shown to be in excellent agreement with the theory.

A quantitative phase field model for hydride precipitation in zirconium alloys: Part I. Development of quantitative free energy functional

International Nuclear Information System (INIS)

Shi, San-Qiang; Xiao, Zhihua

2015-01-01

A temperature dependent, quantitative free energy functional was developed for the modeling of hydride precipitation in zirconium alloys within a phase field scheme. The model takes into account crystallographic variants of hydrides, interfacial energy between hydride and matrix, interfacial energy between hydrides, elastoplastic hydride precipitation and interaction with externally applied stress. The model is fully quantitative in real time and real length scale, and simulation results were compared with limited experimental data available in the literature with a reasonable agreement. The work calls for experimental and/or theoretical investigations of some of the key material properties that are not yet available in the literature

The free energy principle, negative energy modes, and stability

International Nuclear Information System (INIS)

Morrison, P.J.; Kotschenreuther, M.

1990-01-01

This paper is concerned with instability of equilibria of Hamiltonian, fluid and plasma dynamical systems. Usually the dynamical equilibrium of interest is not the state of thermodynamic equilibrium, and does not correspond to a free energy minimum. The relaxation of this type of equilibrium is conventionally considered to be initiated by linear instability. However, there are many cases where linear instability is not present, but the equilibrium is nonlinearly unstable to arbitrarily small perturbations. This paper is about general free energy expressions for determining the presence of linear or nonlinear instabilities. These expressions are simple and practical, and can be obtained for all equilibria of all ideal fluid and plasma models. By free energy, we mean the energy change upon perturbations of the equilibrium that respect dynamical phase space constraints. This quantity is measured by a self-adjoint quadratic form, called δ 2 F. The free energy can result in instability when δ 2 F is indefinite; i.e. there exist accessible perturbations that lower the free energy of the system. A primary purpose of this paper is to tie together three manifestations of what we will refer to as negative energy modes. The first is the conventional plasma physics notion of negative energy mode that is based on the definition of the energy in a homogeneous dielectric medium. A negative energy mode is a normal mode of the medium (plasma) that possesses negative dielectric energy. The second manifestation occurs in finite degree-of-freedom Hamiltonian normal form theory. The quadratic part of a Hamiltonian in the vicinity of an equilibrium point, which possesses only distinct oscillatory eigenvalues, has an invariant signature. Thus in cases where the quadratic form is indefinite, it is natural to refer to the modes corresponding to the negative signature as negative energy modes

Phase of N=2 theories in 1+1 dimensions with boundary

Energy Technology Data Exchange (ETDEWEB)

Herbst, M. [CERN, Geneva (Switzerland). Theory Division, Dept. of Physics; Hori, K.; Page, D. [Toronto Univ., ON (Canada). Dept. of Physics

2008-03-15

We study B-type D-branes in linear sigma models with Abelian gauge groups. The most important finding is the grade restriction rule. It classifies representations of the gauge group on the Chan-Paton factor, which can be used to define a family of D-branes over a region of the Kahler moduli space that connects special points of different character. As an application, we find a precise, transparent relation between D-branes in various geometric phases as well as free orbifold and Landau-Ginzburg points. The result reproduces and unifies many of the earlier mathematical results on equivalences of D-brane categories, including the McKay correspondence and Orlov's construction. (orig.)

Landau Levels of Majorana Fermions in a Spin Liquid.

Science.gov (United States)

Rachel, Stephan; Fritz, Lars; Vojta, Matthias

2016-04-22

Majorana fermions, originally proposed as elementary particles acting as their own antiparticles, can be realized in condensed-matter systems as emergent quasiparticles, a situation often accompanied by topological order. Here we propose a physical system which realizes Landau levels-highly degenerate single-particle states usually resulting from an orbital magnetic field acting on charged particles-for Majorana fermions. This is achieved in a variant of a quantum spin system due to Kitaev which is distorted by triaxial strain. This strained Kitaev model displays a spin-liquid phase with charge-neutral Majorana-fermion excitations whose spectrum corresponds to that of Landau levels, here arising from a tailored pseudomagnetic field. We show that measuring the dynamic spin susceptibility reveals the Landau-level structure by a remarkable mechanism of probe-induced bound-state formation.

Free energies of binding from large-scale first-principles quantum mechanical calculations: application to ligand hydration energies.

Science.gov (United States)

Fox, Stephen J; Pittock, Chris; Tautermann, Christofer S; Fox, Thomas; Christ, Clara; Malcolm, N O J; Essex, Jonathan W; Skylaris, Chris-Kriton

2013-08-15

Schemes of increasing sophistication for obtaining free energies of binding have been developed over the years, where configurational sampling is used to include the all-important entropic contributions to the free energies. However, the quality of the results will also depend on the accuracy with which the intermolecular interactions are computed at each molecular configuration. In this context, the energy change associated with the rearrangement of electrons (electronic polarization and charge transfer) upon binding is a very important effect. Classical molecular mechanics force fields do not take this effect into account explicitly, and polarizable force fields and semiempirical quantum or hybrid quantum-classical (QM/MM) calculations are increasingly employed (at higher computational cost) to compute intermolecular interactions in free-energy schemes. In this work, we investigate the use of large-scale quantum mechanical calculations from first-principles as a way of fully taking into account electronic effects in free-energy calculations. We employ a one-step free-energy perturbation (FEP) scheme from a molecular mechanical (MM) potential to a quantum mechanical (QM) potential as a correction to thermodynamic integration calculations within the MM potential. We use this approach to calculate relative free energies of hydration of small aromatic molecules. Our quantum calculations are performed on multiple configurations from classical molecular dynamics simulations. The quantum energy of each configuration is obtained from density functional theory calculations with a near-complete psinc basis set on over 600 atoms using the ONETEP program.

Landau quantized dynamics and spectra for group-VI dichalcogenides, including a model quantum wire

Science.gov (United States)

Horing, Norman J. M.

2017-06-01

This work is concerned with the derivation of the Green's function for Landau-quantized carriers in the Group-VI dichalcogenides. In the spatially homogeneous case, the Green's function is separated into a Peierls phase factor and a translationally invariant part which is determined in a closed form integral representation involving only elementary functions. The latter is expanded in an eigenfunction series of Laguerre polynomials. These results for the retarded Green's function are presented in both position and momentum representations, and yet another closed form representation is derived in circular coordinates in terms of the Bessel wave function of the second kind (not to be confused with the Bessel function). The case of a quantum wire is also addressed, representing the quantum wire in terms of a model one-dimensional δ (x ) -potential profile. This retarded Green's function for propagation directly along the wire is determined exactly in terms of the corresponding Green's function for the system without the δ (x ) -potential, and the Landau quantized eigenenergy dispersion relation is examined. The thermodynamic Green's function for the dichalcogenide carriers in a normal magnetic field is formulated here in terms of its spectral weight, and its solution is presented in a momentum/integral representation involving only elementary functions, which is subsequently expanded in Laguerre eigenfunctions and presented in both momentum and position representations.

Landau quantized dynamics and spectra for group-VI dichalcogenides, including a model quantum wire

Directory of Open Access Journals (Sweden)

Norman J. M. Horing

2017-06-01

Full Text Available This work is concerned with the derivation of the Green’s function for Landau-quantized carriers in the Group-VI dichalcogenides. In the spatially homogeneous case, the Green’s function is separated into a Peierls phase factor and a translationally invariant part which is determined in a closed form integral representation involving only elementary functions. The latter is expanded in an eigenfunction series of Laguerre polynomials. These results for the retarded Green’s function are presented in both position and momentum representations, and yet another closed form representation is derived in circular coordinates in terms of the Bessel wave function of the second kind (not to be confused with the Bessel function. The case of a quantum wire is also addressed, representing the quantum wire in terms of a model one-dimensional δ(x-potential profile. This retarded Green’s function for propagation directly along the wire is determined exactly in terms of the corresponding Green’s function for the system without the δ(x-potential, and the Landau quantized eigenenergy dispersion relation is examined. The thermodynamic Green’s function for the dichalcogenide carriers in a normal magnetic field is formulated here in terms of its spectral weight, and its solution is presented in a momentum/integral representation involving only elementary functions, which is subsequently expanded in Laguerre eigenfunctions and presented in both momentum and position representations.

Exotic Material as Interactions Between Scalar Fields

Directory of Open Access Journals (Sweden)

Robertson G. A.

2006-04-01

Full Text Available Many theoretical papers refer to the need to create exotic materials with average negative energies for the formation of space propulsion anomalies such as "wormholes" and "warp drives". However, little hope is given for the existence of such material to resolve its creation for such use. From the standpoint that non-minimally coupled scalar fields to gravity appear to be the current direction mathematically. It is proposed that exotic material is really scalar field interactions. Within this paper the Ginzburg-Landau (GL scalar fields associated with superconductor junctions isinvestigated as a source for negative vacuum energy fluctuations, which could be used to study the interactions among energyfluctuations, cosmological scalar (i.e., Higgs fields, and gravity.

Anisotropy in wavelet-based phase field models

KAUST Repository

Korzec, Maciek; Mü nch, Andreas; Sü li, Endre; Wagner, Barbara

2016-01-01

When describing the anisotropic evolution of microstructures in solids using phase-field models, the anisotropy of the crystalline phases is usually introduced into the interfacial energy by directional dependencies of the gradient energy coefficients. We consider an alternative approach based on a wavelet analogue of the Laplace operator that is intrinsically anisotropic and linear. The paper focuses on the classical coupled temperature/Ginzburg--Landau type phase-field model for dendritic growth. For the model based on the wavelet analogue, existence, uniqueness and continuous dependence on initial data are proved for weak solutions. Numerical studies of the wavelet based phase-field model show dendritic growth similar to the results obtained for classical phase-field models.

Anisotropy in wavelet-based phase field models

KAUST Repository

Korzec, Maciek

2016-04-01

When describing the anisotropic evolution of microstructures in solids using phase-field models, the anisotropy of the crystalline phases is usually introduced into the interfacial energy by directional dependencies of the gradient energy coefficients. We consider an alternative approach based on a wavelet analogue of the Laplace operator that is intrinsically anisotropic and linear. The paper focuses on the classical coupled temperature/Ginzburg--Landau type phase-field model for dendritic growth. For the model based on the wavelet analogue, existence, uniqueness and continuous dependence on initial data are proved for weak solutions. Numerical studies of the wavelet based phase-field model show dendritic growth similar to the results obtained for classical phase-field models.

Landau-level spectroscopy of massive Dirac fermions in single-crystalline ZrTe5 thin flakes

Science.gov (United States)

Jiang, Y.; Dun, Z. L.; Zhou, H. D.; Lu, Z.; Chen, K.-W.; Moon, S.; Besara, T.; Siegrist, T. M.; Baumbach, R. E.; Smirnov, D.; Jiang, Z.

2017-07-01

We report infrared magnetospectroscopy studies on thin crystals of an emerging Dirac material ZrTe5 near the intrinsic limit. The observed structure of the Landau-level transitions and zero-field infrared absorption indicate a two-dimensional Dirac-like electronic structure, similar to that in graphene but with a small relativistic mass corresponding to a 9.4-meV energy gap. Measurements with circularly polarized light reveal a significant electron-hole asymmetry, which leads to splitting of the Landau-level transitions at high magnetic fields. Our model, based on the Bernevig-Hughes-Zhang effective Hamiltonian, quantitatively explains all observed transitions, determining the values of the Fermi velocity, Dirac mass (or gap), electron-hole asymmetry, and electron and hole g factors.

Exotic Material as Interactions Between Scalar Fields

Directory of Open Access Journals (Sweden)

Robertson G. A.

2015-10-01

Full Text Available Many theoretical papers refer to the need to create exotic materials with average negative energies for the formation of space propulsion anomalies such as “wormholes” and “warp drives”. However, little hope is given for the existence of such material to resolve its creation for such use. From the standpoint that non-minimally coupled scalar fields to gravity appear to be the current direction mathematically. It is proposed that exotic material is really scalar field interactions. Within this paper the Ginzburg- Landau (GL scalar fields associated with superconductor junctions is investigated as a source for negative vacuum energy fluctuations, which could be used to study the interactions among energy fluctuations, cosmological scalar (i. e., Higgs fields, and gravity.

Effects of periodic modulation on the Landau-Zener transition

International Nuclear Information System (INIS)

Duan Suqing; Fu Libin; Liu Jie; Zhao Xiangeng

2005-01-01

We study the quantum tunnelling of a two-level crossing system which extends the standard Landau-Zener model with applying a periodic modulation on its energy sweep. By directly integrating the time evolution operator we obtain the analytic expressions of tunnelling probability in the cases of high and low modulation frequency limit as well as in weak inter-level coupling limit. Our formula clarify the conditions for resonance occurrence, with the help of it we can readily manipulate the system in a desired way, say, to enhance or suppress the tunnelling probability effectively through adjusting the modulation properly

Reply to Comment on 'On the importance of the free energy for elasticity under pressure'

International Nuclear Information System (INIS)

Marcus, P M; Qiu, S L

2004-01-01

All criticisms by Steinle-Neumann and Cohen of the correctness of our calculations of equilibrium structure and elastic constants under pressure from the Gibbs free energy are answered and the criticisms are rejected. The difference between the free energy and the internal energy as functions of structure is described to clarify the use of the free energy. The meaning of elastic constants in a system under pressure is discussed in order to derive the basic quadratic expansion of the free energy in the strains. The coefficients in the expansion are the elastic constants under pressure and are in agreement with well-known work. We give reasons why calculations based on the Gibbs free energy are simpler and more accurate than the usual calculations based on minima of the energy at constant volume. (reply)

Integral definition of transition time in the Landau-Zener model

International Nuclear Information System (INIS)

Yan Yue; Wu Biao

2010-01-01

We give a general definition for the transition time in the Landau-Zener model. This definition allows us to compute numerically the Landau-Zener transition time at any sweeping rate without ambiguity in both diabatic and adiabatic bases. With this new definition, analytical results are obtained in both the adiabatic limit and the sudden limit.

Landau-Kleffner syndrome: study of four cases Síndrome de Landau-Kleffner: estudo de quatro casos

Directory of Open Access Journals (Sweden)

Lúcia H. Coutinho dos Santos

2002-06-01

Full Text Available We describe four patients with clinical features of Landau-Kleffner syndrome and discuss electroencephalographic features, treatment and prognosis. Anticonvulsants and prednisone were used for treatment with good control of seizures in all cases and a less effect response in acquired aphasia. Further studies are necessary to elucidate the causes and management of this syndrome.Descrevemos quatro pacientes com achados clínicos de síndrome de Landau Kleffner . São discutidos os aspectos relacionados aos achados eletrencefalográficos, tratamento e prognóstico. Anticonvulsivantes e prednisona foram os principais métodos terapêuticos utilizados com controle das crises convulsivas em todos os casos e resposta variável quanto a afasia adquirida. Mais estudos são necessários para elucidar as causas e o manejo desta síndrome

A Python tool to set up relative free energy calculations in GROMACS.

Science.gov (United States)

Klimovich, Pavel V; Mobley, David L

2015-11-01

Free energy calculations based on molecular dynamics (MD) simulations have seen a tremendous growth in the last decade. However, it is still difficult and tedious to set them up in an automated manner, as the majority of the present-day MD simulation packages lack that functionality. Relative free energy calculations are a particular challenge for several reasons, including the problem of finding a common substructure and mapping the transformation to be applied. Here we present a tool, alchemical-setup.py, that automatically generates all the input files needed to perform relative solvation and binding free energy calculations with the MD package GROMACS. When combined with Lead Optimization Mapper (LOMAP; Liu et al. in J Comput Aided Mol Des 27(9):755-770, 2013), recently developed in our group, alchemical-setup.py allows fully automated setup of relative free energy calculations in GROMACS. Taking a graph of the planned calculations and a mapping, both computed by LOMAP, our tool generates the topology and coordinate files needed to perform relative free energy calculations for a given set of molecules, and provides a set of simulation input parameters. The tool was validated by performing relative hydration free energy calculations for a handful of molecules from the SAMPL4 challenge (Mobley et al. in J Comput Aided Mol Des 28(4):135-150, 2014). Good agreement with previously published results and the straightforward way in which free energy calculations can be conducted make alchemical-setup.py a promising tool for automated setup of relative solvation and binding free energy calculations.

Free energy barriers to evaporation of water in hydrophobic confinement.

Science.gov (United States)

Sharma, Sumit; Debenedetti, Pablo G

2012-11-08

We use umbrella sampling Monte Carlo and forward and reverse forward flux sampling (FFS) simulation techniques to compute the free energy barriers to evaporation of water confined between two hydrophobic surfaces separated by nanoscopic gaps, as a function of the gap width, at 1 bar and 298 K. The evaporation mechanism for small (1 × 1 nm(2)) surfaces is found to be fundamentally different from that for large (3 × 3 nm(2)) surfaces. In the latter case, the evaporation proceeds via the formation of a gap-spanning tubular cavity. The 1 × 1 nm(2) surfaces, in contrast, are too small to accommodate a stable vapor cavity. Accordingly, the associated free energy barriers correspond to the formation of a critical-sized cavity for sufficiently large confining surfaces, and to complete emptying of the gap region for small confining surfaces. The free energy barriers to evaporation were found to be of O(20kT) for 14 Å gaps, and to increase by approximately ~5kT with every 1 Å increase in the gap width. The entropy contribution to the free energy of evaporation was found to be independent of the gap width.

Landau levels in biased graphene structures with monolayer-bilayer interfaces

Science.gov (United States)

Mirzakhani, M.; Zarenia, M.; Vasilopoulos, P.; Ketabi, S. A.; Peeters, F. M.

2017-09-01

The electron energy spectrum in monolayer-bilayer-monolayer and in bilayer-monolayer-bilayer graphene structures is investigated and the effects of a perpendicular magnetic field and electric bias are studied. Different types of monolayer-bilayer interfaces are considered as zigzag (ZZ) or armchair (AC) junctions which modify considerably the bulk Landau levels (LLs) when the spectra are plotted as a function of the center coordinate of the cyclotron orbit. Far away from the two interfaces, one obtains the well-known LLs for extended monolayer or bilayer graphene. The LL structure changes significantly at the two interfaces or junctions where the valley degeneracy is lifted for both types of junctions, especially when the distance between them is approximately equal to the magnetic length. Varying the nonuniform bias and the width of this junction-to-junction region in either structure strongly influence the resulting spectra. Significant differences exist between ZZ and AC junctions in both structures. The densities of states (DOSs) for unbiased structures are symmetric in energy whereas those for biased structures are asymmetric. An external bias creates interface LLs in the gaps between the LLs of the unbiased system in which the DOS can be quite small. Such a pattern of LLs can be probed by scanning tunneling microscopy.

Calculation of molecular free energies in classical potentials

International Nuclear Information System (INIS)

Farhi, Asaf; Singh, Bipin

2016-01-01

Free energies of molecules can be calculated by quantum chemistry computations or by normal mode classical calculations. However, the first can be computationally impractical for large molecules and the second is based on the assumption of harmonic dynamics. We present a novel, accurate and complete calculation of molecular free energies in standard classical potentials. In this method we transform the molecule by relaxing potential terms which depend on the coordinates of a group of atoms in that molecule and calculate the free energy difference associated with the transformation. Then, since the transformed molecule can be treated as non-interacting systems, the free energy associated with these atoms is analytically or numerically calculated. This two-step calculation can be applied to calculate free energies of molecules or free energy difference between (possibly large) molecules in a general environment. We demonstrate the method in free energy calculations for methanethiol and butane molecules in vacuum and solvent. We suggest the potential application of free energy calculation of chemical reactions in classical molecular simulations. (paper)

Numerical study of microphase separation in gels and random media

International Nuclear Information System (INIS)

Uchida, Nariya

2004-01-01

Microphase separation in gels and random media is numerically studied using a Ginzburg-Landau model. A random field destroys long-range orientational (lamellar) order and gives rise to a disordered bicontinuous morphology. The dependence of the correlation length on the field strength is distinct from that of random-field magnets

Pramana – Journal of Physics | Indian Academy of Sciences

Indian Academy of Sciences (India)

Based on this picture, a quantitative theory of vortex melting and glass transition in Type II superconductors in the framework of Ginzburg-Landau approach is presented. The melting line location is determined and magnetization and specific heat jumps are calculated. The point-like disorder shifts the line downwards and ...

Peculiar domain states of cylindrical BaTiO.sub.3./sub. nanorods embedded in SrTiO.sub.3./sub. matrix

Czech Academy of Sciences Publication Activity Database

Stepkova, Vilgelmina; Márton, Pavel; Hlinka, Jiří

2014-01-01

Roč. 87, 10-11 (2014), s. 922-928 ISSN 0141-1594 R&D Projects: GA ČR GAP204/12/0232 Institutional support: RVO:68378271 Keywords : Ginzburg-Landau-Devonshire model * phase-field * BaTiO 3 ferroelectric nanorods Subject RIV: BE - Theoretical Physics Impact factor: 0.954, year: 2014

Global a priori estimates for the inhomogeneous Landau equation with moderately soft potentials

Science.gov (United States)

Cameron, Stephen; Silvestre, Luis; Snelson, Stanley

2018-05-01

We establish a priori upper bounds for solutions to the spatially inhomogeneous Landau equation in the case of moderately soft potentials, with arbitrary initial data, under the assumption that mass, energy and entropy densities stay under control. Our pointwise estimates decay polynomially in the velocity variable. We also show that if the initial data satisfies a Gaussian upper bound, this bound is propagated for all positive times.

Collisional width of giant resonances and interplay with Landau damping

International Nuclear Information System (INIS)

Bonasera, A.; Burgio, G.F.; Di Toro, M.; Wolter, H.H.

1989-01-01

We present a semiclassical method to calculate the widths of giant resonances. We solve a mean-field kinetic equation (Vlasov equation) with collision terms treated within the relaxation time approximation to construct a damped strength distribution for collective motions. The relaxation time is evaluated from the time evolution of distortions in the nucleon momentum distribution using a test-particle approach. The importance of an energy dependent nucleon-nucleon cross section is stressed. Results are shown for isoscalar giant quadrupole and octupole motions. A quite important interplay between self-consistent (Landau) and collisional damping is revealed

Methods for Efficiently and Accurately Computing Quantum Mechanical Free Energies for Enzyme Catalysis.

Science.gov (United States)

Kearns, F L; Hudson, P S; Boresch, S; Woodcock, H L

2016-01-01

Enzyme activity is inherently linked to free energies of transition states, ligand binding, protonation/deprotonation, etc.; these free energies, and thus enzyme function, can be affected by residue mutations, allosterically induced conformational changes, and much more. Therefore, being able to predict free energies associated with enzymatic processes is critical to understanding and predicting their function. Free energy simulation (FES) has historically been a computational challenge as it requires both the accurate description of inter- and intramolecular interactions and adequate sampling of all relevant conformational degrees of freedom. The hybrid quantum mechanical molecular mechanical (QM/MM) framework is the current tool of choice when accurate computations of macromolecular systems are essential. Unfortunately, robust and efficient approaches that employ the high levels of computational theory needed to accurately describe many reactive processes (ie, ab initio, DFT), while also including explicit solvation effects and accounting for extensive conformational sampling are essentially nonexistent. In this chapter, we will give a brief overview of two recently developed methods that mitigate several major challenges associated with QM/MM FES: the QM non-Boltzmann Bennett's acceptance ratio method and the QM nonequilibrium work method. We will also describe usage of these methods to calculate free energies associated with (1) relative properties and (2) along reaction paths, using simple test cases with relevance to enzymes examples. © 2016 Elsevier Inc. All rights reserved.

From the atomic bomb to the Landau Institute autobiography top non-secret

CERN Document Server

Khalatnikov, Isaak M

2012-01-01

The book is an expanded autobiography of the famous theoretical physicist Isaak Khalatnikov. He worked together with L.D. Landau at the Institute for Physical Problems lead by P.L. Kapitza. He is the co-author of L.D. Landau in a number of important works. They worked together in the frame of the so-called Nuclear Bomb Project. After the death of L.D. Landau, I.M. Khalatnikov initiated the establishment of the Institute for Theoretical Physics, named in honour of L.D. Landau, within the USSR Academy of Sciences. He headed this institute from the beginning as its Director. The institute inherited almost all traditions of the Landau scientific school and played a prominent role in the development of theoretical physics. So, this is a story about how the institute was created, how it worked, and about the life of the physicists in the "golden age" of the Soviet science. A separate chapter is devoted to today´s life of the institute and the young generation of physicists working now in science. It is an historic...

Origin of the incommensurate phase of quartz : II. Interpretation of inelastic neutron scattering data

Science.gov (United States)

Vallade, M.; Berge, B.; Dolino, G.

1992-07-01

The results of an inelastic neutron scattering investigation of the low-frequency modes of β quartz, described in the preceding paper [1], are interpreted using two different approaches : i) a phenomenological model directly derived from a Landau-Ginzburg type expansion of the free energy ; this model is only relevant for the long-wavelength part of the phonon spectrum but it allows an easy connection with thermodynamical data ; ii) a microscopic lattice dynamical model, which is an extension of the Grimm-Dorner model ; it is shown that the main properties of the low-frequency phonon spectrum and, in particular, the softening of a Σ_2 mode at an incommensurate wave vector close to the zone-center, can be underdtood by analysing the motions of nearly rigid SiO4 tetrahedra. Les résultats de l'investigation par diffusion inélastique des neutrons des modes de basse fréquence du quartz β, décrits dans l'article précédent [1], sont interprétés à l'aide de deux approches différentes: i) un modèle phénoménologique, directement issu d'un développement du type Landau-Ginzburg de l'énergie libre ; ce modèle n'est valable que pour la partie du spectre relatif aux phonons de grande longueur d'onde, mais il permet d'établir une connexion aisée avec les données thermodynamiques ; ii) un modèle microscopique de dynamique de réseau, qui est une extension du modèle de Grimm-Dorner (modèle à tétraèdres rigides) ; on montre que les principales caractéristiques du spectre des phonons de basse fréquence, et en particulier l'amollissement d'un mode Σ_2 à un vecteur d'onde incommensurable près du centre de zone, peut être compris par une analyse des mouvements de tétraèdres SiO4 presque rigides.

Free energy of hydration of niobium oxide

International Nuclear Information System (INIS)

Plodinec, M.J.

1996-01-01

Some of the glasses being formulated by SRTC researchers contain niobium oxide. In this report, the free energy of hydration of the oxide is calculated from the free energies of formation of the oxide, the hydroxide, and water. This value can be used in calculations of the free energy of hydration of glasses containing niobium

Multiphonon generation during photodissociation of slow Landau-Pekar polarons

International Nuclear Information System (INIS)

Myasnikov, E. N.; Myasnikova, A. E.; Mastropas, Z. P.

2006-01-01

The spectra of the low-temperature photodissociation (photoionization) of Landau-Pekar polarons are calculated using the theory of quantum-coherent states and a new method of variation with respect to the parameters of phonon vacuum deformation. It is shown that the final polaron states upon photodissociation may have different numbers of phonons produced in a single dissociation event and different momenta of charge carriers. The spectrum of optical absorption related to the photodissociation of polarons exhibits a superposition of bands corresponding to various numbers of phonons formed as a result of dissociation of a single polaron. Due to a large width of the energy region corresponding to the final states of charge carriers, the halfwidth of each band is on the order of the energy of polaron coupling and is much greater than the phonon energy. For this reason, the individual phonon bands exhibit strong overlap. The very broad and, probably, structureless band formed as a result of the superposition of all these components begins at an energy equal to the sum of the polaron coupling energy (E p ) and the phonon energy. This band has a maximum at a frequency of about 5.6E p /ℎ and a halfwidth on the order of 5.6E p /ℎ at a unit effective mass (m* = m e ) of band electrons. For an effective charge carrier mass within m* = (1-3)m e , the energy of the polaron band maximum can be estimated as 5E p with an error of about 10%, and the halfwidth falls within 3.4E p 1/2 p . The multiphonon character of this band is related to a decay of the phonon condensate after the escape of charge carrier from a polaron. Such polarons are likely to be observed in the spectra of complex metal oxides, including high-temperature superconductors. Examples of such polaron bands in the reported absorption and photoconductivity spectra of nonstoichiometric cuprates, manganites, nickelates, and titanates are presented. A theory of the formation of Landau-Pekar polarons with the

Nonlocal kinetic energy functionals by functional integration

Science.gov (United States)

Mi, Wenhui; Genova, Alessandro; Pavanello, Michele

2018-05-01

Since the seminal studies of Thomas and Fermi, researchers in the Density-Functional Theory (DFT) community are searching for accurate electron density functionals. Arguably, the toughest functional to approximate is the noninteracting kinetic energy, Ts[ρ], the subject of this work. The typical paradigm is to first approximate the energy functional and then take its functional derivative, δ/Ts[ρ ] δ ρ (r ) , yielding a potential that can be used in orbital-free DFT or subsystem DFT simulations. Here, this paradigm is challenged by constructing the potential from the second-functional derivative via functional integration. A new nonlocal functional for Ts[ρ] is prescribed [which we dub Mi-Genova-Pavanello (MGP)] having a density independent kernel. MGP is constructed to satisfy three exact conditions: (1) a nonzero "Kinetic electron" arising from a nonzero exchange hole; (2) the second functional derivative must reduce to the inverse Lindhard function in the limit of homogenous densities; (3) the potential is derived from functional integration of the second functional derivative. Pilot calculations show that MGP is capable of reproducing accurate equilibrium volumes, bulk moduli, total energy, and electron densities for metallic (body-centered cubic, face-centered cubic) and semiconducting (crystal diamond) phases of silicon as well as of III-V semiconductors. The MGP functional is found to be numerically stable typically reaching self-consistency within 12 iterations of a truncated Newton minimization algorithm. MGP's computational cost and memory requirements are low and comparable to the Wang-Teter nonlocal functional or any generalized gradient approximation functional.

Thermodynamic theory of intrinsic finite size effects in PbTiO3 nanocrystals. II. Dielectric and piezoelectric properties

Science.gov (United States)

Akdogan, E. K.; Safari, A.

2007-03-01

We compute the intrinsic dielectric and piezoelectric properties of single domain, mechanically free, and surface charge compensated PbTiO3 nanocrystals (n-Pt) with no depolarization fields, undergoing a finite size induced first order tetragonal→cubic ferrodistortive phase transition. By using a Landau-Devonshire type free energy functional, in which Landau coefficients are a function of nanoparticle size, we demonstrate substantial deviations from bulk properties in the range <150 nm. We find a decrease in dielectric susceptibility at the transition temperature with decreasing particle size, which we verify to be in conformity with predictions of lattice dynamics considerations. We also find an anomalous increase in piezocharge coefficients near ˜15 nm , the critical size for n-Pt.

Generalized Landau-Lifshitz models on the interval

International Nuclear Information System (INIS)

Doikou, Anastasia; Karaiskos, Nikos

2011-01-01

We study the classical generalized gl n Landau-Lifshitz (L-L) model with special boundary conditions that preserve integrability. We explicitly derive the first non-trivial local integral of motion, which corresponds to the boundary Hamiltonian for the sl 2 L-L model. Novel expressions of the modified Lax pairs associated to the integrals of motion are also extracted. The relevant equations of motion with the corresponding boundary conditions are determined. Dynamical integrable boundary conditions are also examined within this spirit. Then the generalized isotropic and anisotropic gl n Landau-Lifshitz models are considered, and novel expressions of the boundary Hamiltonians and the relevant equations of motion and boundary conditions are derived.

Free energy landscape and transition pathways from Watson–Crick to Hoogsteen base pairing in free duplex DNA

Science.gov (United States)

Yang, Changwon; Kim, Eunae; Pak, Youngshang

2015-01-01

Houghton (HG) base pairing plays a central role in the DNA binding of proteins and small ligands. Probing detailed transition mechanism from Watson–Crick (WC) to HG base pair (bp) formation in duplex DNAs is of fundamental importance in terms of revealing intrinsic functions of double helical DNAs beyond their sequence determined functions. We investigated a free energy landscape of a free B-DNA with an adenosine–thymine (A–T) rich sequence to probe its conformational transition pathways from WC to HG base pairing. The free energy landscape was computed with a state-of-art two-dimensional umbrella molecular dynamics simulation at the all-atom level. The present simulation showed that in an isolated duplex DNA, the spontaneous transition from WC to HG bp takes place via multiple pathways. Notably, base flipping into the major and minor grooves was found to play an important role in forming these multiple transition pathways. This finding suggests that naked B-DNA under normal conditions has an inherent ability to form HG bps via spontaneous base opening events. PMID:26250116

A novel method of including Landau level mixing in numerical studies of the quantum Hall effect

International Nuclear Information System (INIS)

Wooten, Rachel; Quinn, John; Macek, Joseph

2013-01-01

Landau level mixing should influence the quantum Hall effect for all except the strongest applied magnetic fields. We propose a simple method for examining the effects of Landau level mixing by incorporating multiple Landau levels into the Haldane pseudopotentials through exact numerical diagonalization. Some of the resulting pseudopotentials for the lowest and first excited Landau levels will be presented

On the number of free energy extremums of a solid solution with two long-range order parameters

International Nuclear Information System (INIS)

Dateshidze, N.A.; Ratishvili, I.G.

1977-01-01

The free energy of ordering f.c.c. lattice solid solution is investigated. The ordering is regarded as homogeneous in the whole bulk of the crystal (i.e. resistant towards formation of antiphase domains). It is described by one of the appropriate distribution functions which contains two long-range order parameters. The calculations have revealed the extrema of the free energy function, and their shape and behaviour upon variations of temperature are analyzed. It is shown that under certain circumstances the system can display more than one minimum of free energy within the ordered phase

Divergence of dielectric permittivity near phase transition within ferroelectric domain boundaries

Czech Academy of Sciences Publication Activity Database

Márton, Pavel; Stepkova, Vilgelmina; Hlinka, Jiří

2013-01-01

Roč. 86, č. 1 (2013), s. 103-108 ISSN 0141-1594 R&D Projects: GA ČR GAP204/10/0616 Institutional support: RVO:68378271 Keywords : Bloch wall * domain boundary * BaTiO 3 * Ginzburg-Landau-Devonshire theory * permittivity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.044, year: 2013

Muon spin rotation measurements on LaNiSn

International Nuclear Information System (INIS)

Drew, A.J.; Lee, S.L.; Ogrin, F.Y.; Charalambous, D.; Bancroft, N.; Paul, D. McK.; Takabatake, T.; Baines, C.

2006-01-01

The first microscopic investigation of superconductivity in LaNiSn is reported using muon spin rotation. LaNiSn is found to be mainly a type I superconductor in an intermediate state with some evidence for type II behaviour at low temperatures, possibly due to a temperature dependent Ginzburg Landau parameter κ

Field theory of anyons and the fractional quantum Hall effect

International Nuclear Information System (INIS)

Viefers, S.F.

1997-11-01

The thesis is devoted to a theoretical study of anyons, i.e. particles with fractional statistics moving in two space dimensions, and the quantum Hall effect. The latter constitutes the only known experimental realization of anyons in that the quasiparticle excitations in the fractional quantum Hall system are believed to obey fractional statistics. First, the properties of ideal quantum gases in two dimensions and in particular the equation of state of the free anyons gas are discussed. Then, a field theory formulation of anyons in a strong magnetic field is presented and later extended to a system with several species of anyons. The relation of this model to fractional exclusion statistics, i.e. intermediate statistics introduced by a generalization of the Pauli principle, and to the low-energy excitations at the edge of the quantum Hall system is discussed. Finally, the Chern-Simons-Landau-Ginzburg theory of the fractional quantum Hall effect is studied, mainly focusing on edge effects; both the ground state and the low-energy edge excitations are examined in the simple one-component model and in an extended model which includes spin effects

Quantum Hall effect of massless Dirac fermions and free fermions in Hofstadter's butterfly

International Nuclear Information System (INIS)

Yoshioka, Nobuyuki; Matsuura, Hiroyasu; Ogata, Masao

2016-01-01

We propose a new physical interpretation of the Diophantine equation of σ xy for the Hofstadter problem. First, we divide the energy spectrum, or Hofstadter's butterfly, into smaller self-similar areas called 'subcells', which were first introduced by Hofstadter to describe the recursive structure. We find that in the energy gaps between subcells, there are two ways to account for the quantization rule of σ xy , that are consistent with the Diophantine equation: Landau quantization of (1) massless Dirac fermions or (2) free fermions in Hofstadter's butterfly. (author)

The Limit of Free Magnetic Energy in Active Regions

Science.gov (United States)

Moore, Ron; Falconer, David; Sterling, Alphonse

2012-01-01

By measuring from active-region magnetograms a proxy of the free energy in the active region fs magnetic field, it has been found previously that (1) there is an abrupt upper limit to the free energy the field can hold that increases with the amount of magnetic field in the active region, the active region fs magnetic flux content, and (2) the free energy is usually near its limit when the field explodes in a CME/flare eruption. That is, explosive active regions are concentrated in a main-sequence path bordering the free-energy ]limit line in (flux content, free-energy proxy) phase space. Here, from measurement of Marshall Space Flight Center vector magnetograms, we find the magnetic condition that underlies the free ]energy limit and the accompanying main sequence of explosive active regions. Using a suitable free ]energy proxy measured from vector magnetograms of 44 active regions, we find that (1) in active regions at and near their free ]energy limit, the ratio of magnetic-shear free energy to the non ]free magnetic energy the potential field would have is approximately 1 in the core field, the field rooted along the neutral line, and (2) this ratio is progressively less in active regions progressively farther below their free ]energy limit. This shows that most active regions in which this core-field energy ratio is much less than 1 cannot be triggered to explode; as this ratio approaches 1, most active regions become capable of exploding; and when this ratio is 1 or greater, most active regions are compelled to explode. From these results we surmise the magnetic condition that determines the free ]energy limit is the ratio of the free magnetic energy to the non-free energy the active region fs field would have were it completely relaxed to its potential ]field configuration, and that this ratio is approximately 1 at the free-energy limit and in the main sequence of explosive active regions.

Good Practices in Free-energy Calculations

Science.gov (United States)

Pohorille, Andrew; Jarzynski, Christopher; Chipot, Christopher

2013-01-01

As access to computational resources continues to increase, free-energy calculations have emerged as a powerful tool that can play a predictive role in drug design. Yet, in a number of instances, the reliability of these calculations can be improved significantly if a number of precepts, or good practices are followed. For the most part, the theory upon which these good practices rely has been known for many years, but often overlooked, or simply ignored. In other cases, the theoretical developments are too recent for their potential to be fully grasped and merged into popular platforms for the computation of free-energy differences. The current best practices for carrying out free-energy calculations will be reviewed demonstrating that, at little to no additional cost, free-energy estimates could be markedly improved and bounded by meaningful error estimates. In energy perturbation and nonequilibrium work methods, monitoring the probability distributions that underlie the transformation between the states of interest, performing the calculation bidirectionally, stratifying the reaction pathway and choosing the most appropriate paradigms and algorithms for transforming between states offer significant gains in both accuracy and precision. In thermodynamic integration and probability distribution (histogramming) methods, properly designed adaptive techniques yield nearly uniform sampling of the relevant degrees of freedom and, by doing so, could markedly improve efficiency and accuracy of free energy calculations without incurring any additional computational expense.

Molecular tilt on monolayer-protected nanoparticles

KAUST Repository

Giomi, L.

2012-02-01

The structure of the tilted phase of monolayer-protected nanoparticles is investigated by means of a simple Ginzburg-Landau model. The theory contains two dimensionless parameters representing the preferential tilt angle and the ratio ε between the energy cost due to spatial variations in the tilt of the coating molecules and that of the van der Waals interactions which favors the preferential tilt. We analyze the model for both spherical and octahedral particles. On spherical particles, we find a transition from a tilted phase, at small ε, to a phase where the molecules spontaneously align along the surface normal and tilt disappears. Octahedral particles have an additional phase at small ε characterized by the presence of six topological defects. These defective configurations provide preferred sites for the chemical functionalization of monolayer-protected nanoparticles via place-exchange reactions and their consequent linking to form molecules and bulk materials. Copyright © EPLA, 2012.

Molecular tilt on monolayer-protected nanoparticles

KAUST Repository

Giomi, L.; Bowick, M. J.; Ma, X.; Majumdar, A.

2012-01-01

The structure of the tilted phase of monolayer-protected nanoparticles is investigated by means of a simple Ginzburg-Landau model. The theory contains two dimensionless parameters representing the preferential tilt angle and the ratio ε between the energy cost due to spatial variations in the tilt of the coating molecules and that of the van der Waals interactions which favors the preferential tilt. We analyze the model for both spherical and octahedral particles. On spherical particles, we find a transition from a tilted phase, at small ε, to a phase where the molecules spontaneously align along the surface normal and tilt disappears. Octahedral particles have an additional phase at small ε characterized by the presence of six topological defects. These defective configurations provide preferred sites for the chemical functionalization of monolayer-protected nanoparticles via place-exchange reactions and their consequent linking to form molecules and bulk materials. Copyright © EPLA, 2012.

Thirty years of the Landau Institute selected papers

CERN Document Server

Khalatnikov, I M

1996-01-01

The Landau Institute for Theoretical Physics was created in 1965 by a group of LD Landau's pupils. Very soon, it was widely recognized as one of the world's leading centers in theoretical physics. According to Science Magazine, the Institute in the eighties had the highest citation index among all the scientific organizations in the former Soviet Union. This collection of the best papers of the Institute reflects the development of the many directions in the exact sciences during the last 30 years. The reader can find the original formulations of well-known notions in condensed matter theory,

Green's function for electrons in a narrow quantum well in a parallel magnetic field

International Nuclear Information System (INIS)

Horing, Norman J. Morgenstern; Glasser, M. Lawrence; Dong Bing

2005-01-01

Electron dynamics in a narrow quantum well in a parallel magnetic field of arbitrary strength are examined here. We derive an explicit analytical closed-form solution for the Green's function of Landau-quantized electrons in skipping states of motion between the narrow well walls coupled with in-plane translational motion and hybridized with the zero-field lowest subband energy eigenstate. Such Landau-quantized modes are not uniformly spaced

Variationally Optimized Free-Energy Flooding for Rate Calculation

Science.gov (United States)

McCarty, James; Valsson, Omar; Tiwary, Pratyush; Parrinello, Michele

2015-08-01

We propose a new method to obtain kinetic properties of infrequent events from molecular dynamics simulation. The procedure employs a recently introduced variational approach [Valsson and Parrinello, Phys. Rev. Lett. 113, 090601 (2014)] to construct a bias potential as a function of several collective variables that is designed to flood the associated free energy surface up to a predefined level. The resulting bias potential effectively accelerates transitions between metastable free energy minima while ensuring bias-free transition states, thus allowing accurate kinetic rates to be obtained. We test the method on a few illustrative systems for which we obtain an order of magnitude improvement in efficiency relative to previous approaches and several orders of magnitude relative to unbiased molecular dynamics. We expect an even larger improvement in more complex systems. This and the ability of the variational approach to deal efficiently with a large number of collective variables will greatly enhance the scope of these calculations. This work is a vindication of the potential that the variational principle has if applied in innovative ways.

Transit-Time Damping, Landau Damping, and Perturbed Orbits

Science.gov (United States)

Simon, A.; Short, R. W.

1997-11-01

Transit-time damping(G.J. Morales and Y.C. Lee, Phys. Rev. Lett. 33), 1534 (1974).*^,*(P.A. Robinson, Phys. Fluids B 3), 545 (1991).** has traditionally been obtained by calculating the net energy gain of transiting electrons, of velocity v, to order E^2* in the amplitude of a localized electric field. This necessarily requires inclusion of the perturbed orbits in the equation of motion. A similar method has been used by others(D.R. Nicholson, Introduction to Plasma Theory) (Wiley, 1983).*^,*(E.M. Lifshitz and L.P. Pitaevskifi, Physical Kinetics) (Pergamon, 1981).** to obtain a ``physical'' picture of Landau damping in a nonlocalized field. The use of perturbed orbits seems odd since the original derivation of Landau (and that of Dawson) never went beyond a linear picture of the dynamics. We introduce a novel method that takes advantage of the time-reversal invariance of the Vlasov equation and requires only the unperturbed orbits to obtain the result. Obviously, there is much reduction in complexity. Application to finite slab geometry yields a simple expression for the damping rate. Equivalence to much more complicated results^2* is demonstrated. This method allows us to calculate damping in more complicated geometries and more complex electric fields, such as occur in SRS in filaments. See accompanying talk.(R.W. Short and A. Simon, this conference.) This work was supported by the U.S. DOE Office of Inertial Confinement Fusion under Co-op Agreement No. DE-FC03-92SF19460.

Energy spectrum and density of states for a graphene quantum dot in a magnetic field

International Nuclear Information System (INIS)

Morgenstern Horing, Norman J; Liu, S Y

2010-01-01

In this paper, we determine the spectrum and density of states of a graphene quantum dot in a normal quantizing magnetic field. To accomplish this, we employ the retarded Green function for a magnetized, infinite-sheet graphene layer to describe the dynamics of a tightly confined graphene quantum dot subject to Landau quantization. Considering a δ (2) (r) potential well that supports just one subband state in the well in the absence of a magnetic field, the effect of Landau quantization is to 'splinter' this single energy level into a proliferation of many Landau-quantized states within the well. Treating the graphene sheet and dot as a closed system subject to a fully Hermitian Hamiltonian (including boundary conditions), there is no indication of decay of the Landau-quantized graphene dot states into the quantized states of the host graphene sheet for 'tight' confinement by the δ (2) (r) potential well, notwithstanding extension of the dot Green function (and eigenfunctions) outside the δ (2) (r) potential well.

Landau Damping of the Weak Head-Tail Instability at Tevatron

CERN Document Server

Ivanov, Petr M; Annala, Jerry; Lebedev, Valeri; Shiltsev, Vladimir

2005-01-01

Landau damping of the head-tail modes in Tevatron beam with the help of octupole-generated betatron tune spreads permits to reduce chromaticity from 15-20 units to zero thus significantly improving the beam lifetime. The octupole strengths have been experimentally optimized at different stages of the Tevatron operation, from proton injection to collision. Predictions of the analytical Landau damping model are compared with the experimental results.

Connecting free energy surfaces in implicit and explicit solvent: an efficient method to compute conformational and solvation free energies.

Science.gov (United States)

Deng, Nanjie; Zhang, Bin W; Levy, Ronald M

2015-06-09

The ability to accurately model solvent effects on free energy surfaces is important for understanding many biophysical processes including protein folding and misfolding, allosteric transitions, and protein–ligand binding. Although all-atom simulations in explicit solvent can provide an accurate model for biomolecules in solution, explicit solvent simulations are hampered by the slow equilibration on rugged landscapes containing multiple basins separated by barriers. In many cases, implicit solvent models can be used to significantly speed up the conformational sampling; however, implicit solvent simulations do not fully capture the effects of a molecular solvent, and this can lead to loss of accuracy in the estimated free energies. Here we introduce a new approach to compute free energy changes in which the molecular details of explicit solvent simulations are retained while also taking advantage of the speed of the implicit solvent simulations. In this approach, the slow equilibration in explicit solvent, due to the long waiting times before barrier crossing, is avoided by using a thermodynamic cycle which connects the free energy basins in implicit solvent and explicit solvent using a localized decoupling scheme. We test this method by computing conformational free energy differences and solvation free energies of the model system alanine dipeptide in water. The free energy changes between basins in explicit solvent calculated using fully explicit solvent paths agree with the corresponding free energy differences obtained using the implicit/explicit thermodynamic cycle to within 0.3 kcal/mol out of ∼3 kcal/mol at only ∼8% of the computational cost. We note that WHAM methods can be used to further improve the efficiency and accuracy of the implicit/explicit thermodynamic cycle.

Source-Free Exchange-Correlation Magnetic Fields in Density Functional Theory.

Science.gov (United States)

Sharma, S; Gross, E K U; Sanna, A; Dewhurst, J K

2018-03-13

Spin-dependent exchange-correlation energy functionals in use today depend on the charge density and the magnetization density: E xc [ρ, m]. However, it is also correct to define the functional in terms of the curl of m for physical external fields: E xc [ρ,∇ × m]. The exchange-correlation magnetic field, B xc , then becomes source-free. We study this variation of the theory by uniquely removing the source term from local and generalized gradient approximations to the functional. By doing so, the total Kohn-Sham moments are improved for a wide range of materials for both functionals. Significantly, the moments for the pnictides are now in good agreement with experiment. This source-free method is simple to implement in all existing density functional theory codes.

In memory of Alois Apfelbeck: An Interconnection between Cayley-Eisenstein-Pólya and Landau Probability Distributions

Directory of Open Access Journals (Sweden)

Vladimír Vojta

2013-01-01

Full Text Available The interconnection between the Cayley-Eisenstein-Pólya distribution and the Landau distribution is studied, and possibly new transform pairs for the Laplace and Mellin transform and integral expressions for the Lambert W function have been found.

GINZBURG, Jaime. Literatura, violência e melancolia. Campinas, São Paulo: Autores Associados, 2012.

OpenAIRE

Zandoná, Andiara; Stacke, Ana Alice Pires da Silva

2013-01-01

Jaime Ginzburg, em Literatura, violência e melancolia, publicado em 2012,discute temas centrais em suas pesquisas, a saber: as relações entre literatura, contextos sociais de violência e melancolia. A obra estimula a pesquisa acadêmica sobre violência e cultura, ou violência, melancolia e literatura, tendo em vista um passado recente que motiva debater a presença da violência na sociedade contemporânea.

Superconductivity and antiferromagnetism in heavy-electron systems

International Nuclear Information System (INIS)

Konno, R.; Ueda, K.

1989-01-01

Superconductivity and antiferromagnetism in heavy-electron systems are investigated from a general point of view. First we classify superconducting states in a simple cubic lattice, a body-centered tetragonal lattice, and a hexagonal close-packed lattice, having URu 2 Si 2 and UPt 3 in mind. For that purpose we take an approach to treat the effective couplings in real space. The approach is convenient to discuss the relation between the nature of fluctuations in the system and the superconducting states. When we assume that the antiferromagnetic fluctuations reported by neutron experiments are dominant, the most promising are some of the anisotropic singlet states and there remains the possibility for some triplet states too. Then we discuss the coupling between the two order parameters based on a Ginzburg-Landau theory. We derive a general expression of the coupling term. It is pointed out that the coupling constant can be large in heavy-electron systems. The general trend of the coexistence of the superconductivity and antiferromagnetism is discussed, and it is shown that the anisotropic states are generally more favorable to the coexistence than the conventional isotropic singlet. Experimental data of URu 2 Si 2 and UPt 3 are analyzed by the Ginzburg-Landau theory. According to the analysis URu 2 Si 2 has a small coupling constant and a large condensation energy of the antiferromagnetism. On the other hand, UPt 3 has a large coupling constant and a small condensation energy. It means that the specific-heat anomaly at T N should be small in UPt 3 and its superconductivity is easily destroyed when a large moment is formed

Microscopically derived free energy of dislocations

NARCIS (Netherlands)

Kooiman, M.; Hütter, M.; Geers, M.G.D.

2015-01-01

The dynamics of large amounts of dislocations is the governing mechanism in metal plasticity. The free energy of a continuous dislocation density profile plays a crucial role in the description of the dynamics of dislocations, as free energy derivatives act as the driving forces of dislocation

Uncertainty Quantification in Alchemical Free Energy Methods.

Science.gov (United States)

Bhati, Agastya P; Wan, Shunzhou; Hu, Yuan; Sherborne, Brad; Coveney, Peter V

2018-05-02

Alchemical free energy methods have gained much importance recently from several reports of improved ligand-protein binding affinity predictions based on their implementation using molecular dynamics simulations. A large number of variants of such methods implementing different accelerated sampling techniques and free energy estimators are available, each claimed to be better than the others in its own way. However, the key features of reproducibility and quantification of associated uncertainties in such methods have barely been discussed. Here, we apply a systematic protocol for uncertainty quantification to a number of popular alchemical free energy methods, covering both absolute and relative free energy predictions. We show that a reliable measure of error estimation is provided by ensemble simulation-an ensemble of independent MD simulations-which applies irrespective of the free energy method. The need to use ensemble methods is fundamental and holds regardless of the duration of time of the molecular dynamics simulations performed.

Unusual interlayer quantum transport behavior caused by the zeroth Landau level in YbMnBi2.

Science.gov (United States)

Liu, J Y; Hu, J; Graf, D; Zou, T; Zhu, M; Shi, Y; Che, S; Radmanesh, S M A; Lau, C N; Spinu, L; Cao, H B; Ke, X; Mao, Z Q

2017-09-21

Relativistic fermions in topological quantum materials are characterized by linear energy-momentum dispersion near band crossing points. Under magnetic fields, relativistic fermions acquire Berry phase of π in cyclotron motion, leading to a zeroth Landau level (LL) at the crossing point, a signature unique to relativistic fermions. Here we report the unusual interlayer quantum transport behavior resulting from the zeroth LL mode observed in the time reversal symmetry breaking type II Weyl semimetal YbMnBi 2 . The interlayer magnetoresistivity and Hall conductivity of this material are found to exhibit surprising angular dependences under high fields, which can be well fitted by a model, which considers the interlayer quantum tunneling transport of the zeroth LL's Weyl fermions. Our results shed light on the unusual role of zeroth LLl mode in transport.The transport behavior of the carriers residing in the lowest Landau level is hard to observe in most topological materials. Here, Liu et al. report a surprising angular dependence of the interlayer magnetoresistivity and Hall conductivity arising from the lowest Landau level under high magnetic field in type II Weyl semimetal YbMnBi 2 .

Effect of screening current induced pair breaking on magnetization of superconducting lead nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Yashwant, G.; Prajapat, C.L. [Technical Physics and Prototype Engineering Division, Bhabha Atomic Research Centre, Mumbai, Maharashtra 400 085 (India); Jayakumar, O.D. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai, Maharashtra 400 085 (India); Singh, M.R.; Gupta, S.K. [Technical Physics and Prototype Engineering Division, Bhabha Atomic Research Centre, Mumbai, Maharashtra 400 085 (India); Tyagi, A.K. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai, Maharashtra 400 085 (India); Ravikumar, G. [Technical Physics and Prototype Engineering Division, Bhabha Atomic Research Centre, Mumbai, Maharashtra 400 085 (India)], E-mail: gurazada@barc.gov.in

2008-06-15

Magnetization measurements on lead nanoparticles in the size range 35-45 nm are presented. It is shown that the critical fields in these nanoparticles are enhanced significantly above their bulk values with temperature dependence also distinct from that of bulk. The observed 'type II' like shape of the magnetization curves is explained on the basis of the Ginzburg-Landau phenomenology by invoking the pair breaking effect of the London screening currents, which makes the effective penetration depth an increasing function of the field. The temperature dependence of critical field is found to be consistent with our explanation.

Inter plane coupling and magnetic properties in a high Tc superconductor

International Nuclear Information System (INIS)

Malacarne, L.C.; Mendes, R.S.; Veroneze, P.R.

1997-01-01

We investigate if besides an increasing in T c , an interaction favoring pair tunneling reproduces some characteristic properties of the superconductors, in the presence of a magnetic field. With this objective, we use a sufficiently simple Hamiltonian which maintains the main qualitative aspects of the inter plane interaction through pairs. We also apply an functional integration method for obtaining the Landau-Ginzburg (L G) equations in presence of magnetic field. From these equations, we verify that the applied model presents the properties expected for a superconductor, e.g. magnetic flux quantization, Meissner effect and possible existence of vortex and vortex lattice

Computation of Hydration Free Energies Using the Multiple Environment Single System Quantum Mechanical/Molecular Mechanical Method.

Science.gov (United States)

König, Gerhard; Mei, Ye; Pickard, Frank C; Simmonett, Andrew C; Miller, Benjamin T; Herbert, John M; Woodcock, H Lee; Brooks, Bernard R; Shao, Yihan

2016-01-12

A recently developed MESS-E-QM/MM method (multiple-environment single-system quantum mechanical molecular/mechanical calculations with a Roothaan-step extrapolation) is applied to the computation of hydration free energies for the blind SAMPL4 test set and for 12 small molecules. First, free energy simulations are performed with a classical molecular mechanics force field using fixed-geometry solute molecules and explicit TIP3P solvent, and then the non-Boltzmann-Bennett method is employed to compute the QM/MM correction (QM/MM-NBB) to the molecular mechanical hydration free energies. For the SAMPL4 set, MESS-E-QM/MM-NBB corrections to the hydration free energy can be obtained 2 or 3 orders of magnitude faster than fully converged QM/MM-NBB corrections, and, on average, the hydration free energies predicted with MESS-E-QM/MM-NBB fall within 0.10-0.20 kcal/mol of full-converged QM/MM-NBB results. Out of five density functionals (BLYP, B3LYP, PBE0, M06-2X, and ωB97X-D), the BLYP functional is found to be most compatible with the TIP3P solvent model and yields the most accurate hydration free energies against experimental values for solute molecules included in this study.

Free energy calculations, enhanced by a Gaussian ansatz, for the "chemical work" distribution.