Strong-Isospin-Breaking Correction to the Muon Anomalous Magnetic Moment from Lattice QCD at the Physical Point

Science.gov (United States)

Chakraborty, B.; Davies, C. T. H.; Detar, C.; El-Khadra, A. X.; Gámiz, E.; Gottlieb, Steven; Hatton, D.; Koponen, J.; Kronfeld, A. S.; Laiho, J.; Lepage, G. P.; Liu, Yuzhi; MacKenzie, P. B.; McNeile, C.; Neil, E. T.; Simone, J. N.; Sugar, R.; Toussaint, D.; van de Water, R. S.; Vaquero, A.; Fermilab Lattice, Hpqcd,; Milc Collaborations

2018-04-01

All lattice-QCD calculations of the hadronic-vacuum-polarization contribution to the muon's anomalous magnetic moment to date have been performed with degenerate up- and down-quark masses. Here we calculate directly the strong-isospin-breaking correction to aμHVP for the first time with physical values of mu and md and dynamical u , d , s , and c quarks, thereby removing this important source of systematic uncertainty. We obtain a relative shift to be applied to lattice-QCD results obtained with degenerate light-quark masses of δ aμHVP ,mu≠md=+1.5 (7 )% , in agreement with estimates from phenomenology.

Lattice dynamics of γ--Ce

International Nuclear Information System (INIS)

Gould, T.A.

1978-08-01

The phonon and magnetic measurements described in the thesis produced the following significant results concerning the lattice dynamical and magnetic properties of γ-Ce. The phonon spectrum is relatively soft, which is consistent with results obtained for CeSn 3 . The L [110] and T [111] branches of the dispersion curve are anomalous. The C 11 and C 44 elastic constants are quite close in value. No discrete magnetic excitations were observed. The magnetic scattering is qualitatively similar to the results from Ce 0 . 74 Th 0 . 26 , however, GAMMA/sub Ce/ less than GAMMA/sub Ce-Th/. The various lattice dynamical and magnetic similarities among γ-Ce, CeSn 3 , and Ce 0 . 74 Th 0 . 26 are mixed valence compounds. Therefore, a complete theoretical description of the observed properties of Ce and its compounds may provide a basis for understanding a whole class of mixed valence materials

Anomalously large anisotropic magnetoresistance in a perovskite manganite

Science.gov (United States)

Li, Run-Wei; Wang, Huabing; Wang, Xuewen; Yu, X. Z.; Matsui, Y.; Cheng, Zhao-Hua; Shen, Bao-Gen; Plummer, E. Ward; Zhang, Jiandi

2009-01-01

The signature of correlated electron materials (CEMs) is the coupling between spin, charge, orbital and lattice resulting in exotic functionality. This complexity is directly responsible for their tunability. We demonstrate here that the broken symmetry, through cubic to orthorhombic distortion in the lattice structure in a prototype manganite single crystal, La0.69Ca0.31MnO3, leads to an anisotropic magneto-elastic response to an external field, and consequently to remarkable magneto-transport behavior. An anomalous anisotropic magnetoresistance (AMR) effect occurs close to the metal-insulator transition (MIT) in the system, showing a direct correlation with the anisotropic field-tuned MIT in the system and can be understood by means of a simple phenomenological model. A small crystalline anisotropy stimulates a “colossal” AMR near the MIT phase boundary of the system, thus revealing the intimate interplay between magneto- and electronic-crystalline couplings. PMID:19706504

Steering elastic SH waves in an anomalous way by metasurface

Science.gov (United States)

Cao, Liyun; Yang, Zhichun; Xu, Yanlong

2018-03-01

Metasurface, which does not exist in nature, has exhibited exotic essence on the manipulation of both electromagnetic and acoustic waves. In this paper, the concept of metasurface is extended to the field of elastic SH waves, and the anomalous refractions of SH waves across the designed elastic SH wave metasurfaces (SHWMs) are demonstrated numerically. Firstly, a SHWM is designed with supercells, each supercell is composed of four subunits. It is demonstrated that this configuration has the ability of deflecting the vertical and oblique incident waves in an arbitrary desired direction. Then, a unique SHWM with supercell composed of only two subunits is designed. Numerical simulation shows its ability of splitting the vertical and oblique incident waves into two tunable transmitted wave beams, respectively. In the process of steering SH waves, it is also found that two kinds of leakages of transmitted waves across the designed SHWM will occur in some particular situations, which will affect the desired transmitted wave. The mechanisms of the leakages, which are different from that of the common high-order diffraction mentioned in existing literatures, are revealed. The current study can offer theoretical guidance not only for designing devices of directional ultrasonic detection and splitting SH waves but also for steering other kinds of classical waves.

Scattering phase shift for elastic two pion scattering and the rho resonance in lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Gutzwiller, Simone

2012-10-08

In this thesis we use lattice QCD to compute scattering phase shifts for elastic two-pion scattering in the isospin I=1 channel. Using Luescher's formalism, we derive the scattering phase shifts for different total momenta of the two-pion system in a non-rest frame. Furthermore we analyse the symmetries of the non-rest frame lattices and construct 2-pion and rho operators transforming in accordance with these symmetries. The data was collected for a 32{sup 3} x 64 and a 40{sup 3} x 64 lattice with N{sub f}=2 clover improved Wilson fermions at a pion mass around 290 MeV and a lattice spacing of about 0.072 fm.

Scattering phase shift for elastic two pion scattering and the rho resonance in lattice QCD

International Nuclear Information System (INIS)

Gutzwiller, Simone

2012-01-01

In this thesis we use lattice QCD to compute scattering phase shifts for elastic two-pion scattering in the isospin I=1 channel. Using Luescher's formalism, we derive the scattering phase shifts for different total momenta of the two-pion system in a non-rest frame. Furthermore we analyse the symmetries of the non-rest frame lattices and construct 2-pion and rho operators transforming in accordance with these symmetries. The data was collected for a 32 3 x 64 and a 40 3 x 64 lattice with N f =2 clover improved Wilson fermions at a pion mass around 290 MeV and a lattice spacing of about 0.072 fm.

Quantum anomalous Hall phase in a one-dimensional optical lattice

Science.gov (United States)

Liu, Sheng; Shao, L. B.; Hou, Qi-Zhe; Xue, Zheng-Yuan

2018-03-01

We propose to simulate and detect quantum anomalous Hall phase with ultracold atoms in a one-dimensional optical lattice, with the other synthetic dimension being realized by modulating spin-orbit coupling. We show that the system manifests a topologically nontrivial phase with two chiral edge states which can be readily detected in this synthetic two-dimensional system. Moreover, it is interesting that at the phase transition point there is a flat energy band and this system can also be in a topologically nontrivial phase with two Fermi zero modes existing at the boundaries by considering the synthetic dimension as a modulated parameter. We also show how to measure these topological phases experimentally in ultracold atoms. Another model with a random Rashba and Dresselhaus spin-orbit coupling strength is also found to exhibit topological nontrivial phase, and the impact of the disorder to the system is revealed.

A stress field in the vortex lattice in the type-II superconductor

Directory of Open Access Journals (Sweden)

Maruszewski, Bogdan

2008-02-01

Full Text Available Magnetic flux can penetrate a type-II superconductor in the form of Abrikosov vortices (also called flux lines, flux tubes, or fluxons, each carrying a quantum of magnetic flux. These tiny vortices of supercurrent tend to arrange themselves in a triangular and/or quadratic flux-line lattice, which is more or less perturbed by material inhomogeneities that pin the flux lines. Pinning is caused by imperfections of the crystal lattice, such as dislocations, point defects, grain boundaries, etc. Hence, a honeycomb-like pattern of the vortex array presents some mechanical properties. If the Lorentz force of interactions between the vortices is much bigger than the pinning force, the vortex lattice behaves elastically. So we assume that the pinning force is negligible in the sequel and we deal with soft vortices. The vortex motion in the vortex lattice and/or creep of the vortices in the vortex fluid is accompanied by energy dissipation. Hence, except for the elastic properties, the vortex field is also of a viscous character. The main aim of the paper is a formulation of a thermoviscoelastic stress - strain constitutive law consisted of coexistence of the ordered and disordered states of the vortex field. Its form describes an auxetic-like thermomechanical (anomalous property of the vortex field.

Elastic and failure response of imperfect three-dimensional metallic lattices: the role of geometric defects induced by Selective Laser Melting

Science.gov (United States)

Liu, Lu; Kamm, Paul; García-Moreno, Francisco; Banhart, John; Pasini, Damiano

2017-10-01

This paper examines three-dimensional metallic lattices with regular octet and rhombicuboctahedron units fabricated with geometric imperfections via Selective Laser Sintering. We use X-ray computed tomography to capture morphology, location, and distribution of process-induced defects with the aim of studying their role in the elastic response, damage initiation, and failure evolution under quasi-static compression. Testing results from in-situ compression tomography show that each lattice exhibits a distinct failure mechanism that is governed not only by cell topology but also by geometric defects induced by additive manufacturing. Extracted from X-ray tomography images, the statistical distributions of three sets of defects, namely strut waviness, strut thickness variation, and strut oversizing, are used to develop numerical models of statistically representative lattices with imperfect geometry. Elastic and failure responses are predicted within 10% agreement from the experimental data. In addition, a computational study is presented to shed light into the relationship between the amplitude of selected defects and the reduction of elastic properties compared to their nominal values. The evolution of failure mechanisms is also explained with respect to strut oversizing, a parameter that can critically cause failure mode transitions that are not visible in defect-free lattices.

Intrinsic quantum anomalous hall effect in a two-dimensional anilato-based lattice.

Science.gov (United States)

Ni, Xiaojuan; Jiang, Wei; Huang, Huaqing; Jin, Kyung-Hwan; Liu, Feng

2018-06-13

Using first-principles calculations, we predict an intrinsic quantum anomalous Hall (QAH) state in a monolayer anilato-based metal-organic framework M2(C6O4X2)3 (M = Mn and Tc, X = F, Cl, Br and I). The spin-orbit coupling of M d orbitals opens a nontrivial band gap up to 18 meV at the Dirac point. The electron counting rule is used to explain the intrinsic nature of the QAH state. The calculated nonzero Chern number, gapless edge states and quantized Hall conductance all confirm the nontrivial topological properties in the anilato-based lattice. Our findings provide an organic materials platform for the realization of the QAH effect without the need for magnetic and charge doping, which are highly desirable for the development of low-energy-consumption spintronic devices.

Anomalous critical behavior in the polymer collapse transition of three-dimensional lattice trails.

Science.gov (United States)

Bedini, Andrea; Owczarek, Aleksander L; Prellberg, Thomas

2012-07-01

Trails (bond-avoiding walks) provide an alternative lattice model of polymers to self-avoiding walks, and adding self-interaction at multiply visited sites gives a model of polymer collapse. Recently a two-dimensional model (triangular lattice) where doubly and triply visited sites are given different weights was shown to display a rich phase diagram with first- and second-order collapse separated by a multicritical point. A kinetic growth process of trails (KGTs) was conjectured to map precisely to this multicritical point. Two types of low-temperature phases, a globule phase and a maximally dense phase, were encountered. Here we investigate the collapse properties of a similar extended model of interacting lattice trails on the simple cubic lattice with separate weights for doubly and triply visited sites. Again we find first- and second-order collapse transitions dependent on the relative sizes of the doubly and triply visited energies. However, we find no evidence of a low-temperature maximally dense phase with only the globular phase in existence. Intriguingly, when the ratio of the energies is precisely that which separates the first-order from the second-order regions anomalous finite-size scaling appears. At the finite-size location of the rounded transition clear evidence exists for a first-order transition that persists in the thermodynamic limit. This location moves as the length increases, with its limit apparently at the point that maps to a KGT. However, if one fixes the temperature to sit at exactly this KGT point, then only a critical point can be deduced from the data. The resolution of this apparent contradiction lies in the breaking of crossover scaling and the difference in the shift and transition width (crossover) exponents.

Ordering parameters of three-dimensional ordered quantum-dot lattices determined by anomalous x-ray diffraction

International Nuclear Information System (INIS)

Lechner, R.T.; Springholz, G.; Stangl, J.; Raab, A.; Bauer, G.; Schuelli, T.U.; Holy, V.; Metzger, T.H.

2004-01-01

Three dimensional (3D) quantum dot structures can be obtained, e.g., by the growth of self-assembled quantum dot multilayers in which vertically and laterally ordered dot superstructures are formed as a result of the elastic interlayer dot interactions between the dots. This not only results in a significant narrowing of the size distribution, but different 3D interlayer correlations can be obtained by changes in the spacer thickness, as has been demonstrated for the PbSe/PbEuTe quantum dot material system. Apart from microscopic techniques, x-ray diffraction is a very powerful tool to characterize the ordering in such 3D assembled quantum dot structures. However, the analysis of the diffraction spectra is usually complicated by the weak scattering contrast between the self-assembled quantum dots and the surrounding matrix material. In the present work, we therefore employ anomalous x-ray diffraction with synchrotron radiation to drastically enhance the chemical contrast in such multilayers by tuning the wavelength close to an inner shell absorption resonance. This technique is applied to determine the ordering of differently stacked self-assembled PbSe quantum dot lattices fabricated by molecular beam epitaxy. In this case, the x-ray wavelength is tuned to the Pb M-shell at 5.1 Aato enhance the scattering contrast between the PbSe dots and the matrix material in comparison to the results obtained using conventional x-ray wavelengths around 1.5 Aa. As a result, it is shown that the lateral ordering is significantly better for 3D trigonal PbSe dot superlattices as compared to those with 3D hexagonal dot arrangement. (author)

Hadronic vacuum polarization contribution to g-2 from the lattice

International Nuclear Information System (INIS)

Feng, X.; Jansen, K.; Renner, D.

2011-12-01

We give a short description of the present situation of lattice QCD simulations. We then focus on the computation of the anomalous magnetic moment of the muon using lattice techniques. We demonstrate that by employing improved observables for the muon anomalous magnetic moment, a significant reduction of the lattice error can be obtained. This provides a promising scenario that the accuracy of lattice calculations can match the experimental errors. (orig.)

Hadronic Vacuum Polarization Contribution to g-2 from the Lattice

Energy Technology Data Exchange (ETDEWEB)

Dru Renner, Xu Feng, Marcus Petschlies, Karl Jansen

2012-05-01

We give a short description of the present situation of lattice QCD simulations. We then focus on the computation of the anomalous magnetic moment of the muon using lattice techniques. We demonstrate that by employing improved observables for the muon anomalous magnetic moment, a significant reduction of the lattice error can be obtained. This provides a promising scenario that the accuracy of lattice calculations can match the experimental errors.

Hadronic vacuum polarization contribution to g-2 from the lattice

Energy Technology Data Exchange (ETDEWEB)

Feng, X. [High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki (Japan); Jansen, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Petschlies, M. [The Cyprus Institute, Nicosia (Cyprus); Renner, D. [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States)

2011-12-15

We give a short description of the present situation of lattice QCD simulations. We then focus on the computation of the anomalous magnetic moment of the muon using lattice techniques. We demonstrate that by employing improved observables for the muon anomalous magnetic moment, a significant reduction of the lattice error can be obtained. This provides a promising scenario that the accuracy of lattice calculations can match the experimental errors. (orig.)

Nonlocal continuum analysis of a nonlinear uniaxial elastic lattice system under non-uniform axial load

Science.gov (United States)

Hérisson, Benjamin; Challamel, Noël; Picandet, Vincent; Perrot, Arnaud

2016-09-01

The static behavior of the Fermi-Pasta-Ulam (FPU) axial chain under distributed loading is examined. The FPU system examined in the paper is a nonlinear elastic lattice with linear and quadratic spring interaction. A dimensionless parameter controls the possible loss of convexity of the associated quadratic and cubic energy. Exact analytical solutions based on Hurwitz zeta functions are developed in presence of linear static loading. It is shown that this nonlinear lattice possesses scale effects and possible localization properties in the absence of energy convexity. A continuous approach is then developed to capture the main phenomena observed regarding the discrete axial problem. The associated continuum is built from a continualization procedure that is mainly based on the asymptotic expansion of the difference operators involved in the lattice problem. This associated continuum is an enriched gradient-based or nonlocal axial medium. A Taylor-based and a rational differential method are both considered in the continualization procedures to approximate the FPU lattice response. The Padé approximant used in the continualization procedure fits the response of the discrete system efficiently, even in the vicinity of the limit load when the non-convex FPU energy is examined. It is concluded that the FPU lattice system behaves as a nonlocal axial system in dynamic but also static loading.

An efficient immersed boundary-lattice Boltzmann method for the hydrodynamic interaction of elastic filaments

Science.gov (United States)

Tian, Fang-Bao; Luo, Haoxiang; Zhu, Luoding; Liao, James C.; Lu, Xi-Yun

2012-01-01

We have introduced a modified penalty approach into the flow-structure interaction solver that combines an immersed boundary method (IBM) and a multi-block lattice Boltzmann method (LBM) to model an incompressible flow and elastic boundaries with finite mass. The effect of the solid structure is handled by the IBM in which the stress exerted by the structure on the fluid is spread onto the collocated grid points near the boundary. The fluid motion is obtained by solving the discrete lattice Boltzmann equation. The inertial force of the thin solid structure is incorporated by connecting this structure through virtual springs to a ghost structure with the equivalent mass. This treatment ameliorates the numerical instability issue encountered in this type of problems. Thanks to the superior efficiency of the IBM and LBM, the overall method is extremely fast for a class of flow-structure interaction problems where details of flow patterns need to be resolved. Numerical examples, including those involving multiple solid bodies, are presented to verify the method and illustrate its efficiency. As an application of the present method, an elastic filament flapping in the Kármán gait and the entrainment regions near a cylinder is studied to model fish swimming in these regions. Significant drag reduction is found for the filament, and the result is consistent with the metabolic cost measured experimentally for the live fish. PMID:23564971

An efficient immersed boundary-lattice Boltzmann method for the hydrodynamic interaction of elastic filaments

Science.gov (United States)

Tian, Fang-Bao; Luo, Haoxiang; Zhu, Luoding; Liao, James C.; Lu, Xi-Yun

2011-08-01

We have introduced a modified penalty approach into the flow-structure interaction solver that combines an immersed boundary method (IBM) and a multi-block lattice Boltzmann method (LBM) to model an incompressible flow and elastic boundaries with finite mass. The effect of the solid structure is handled by the IBM in which the stress exerted by the structure on the fluid is spread onto the collocated grid points near the boundary. The fluid motion is obtained by solving the discrete lattice Boltzmann equation. The inertial force of the thin solid structure is incorporated by connecting this structure through virtual springs to a ghost structure with the equivalent mass. This treatment ameliorates the numerical instability issue encountered in this type of problems. Thanks to the superior efficiency of the IBM and LBM, the overall method is extremely fast for a class of flow-structure interaction problems where details of flow patterns need to be resolved. Numerical examples, including those involving multiple solid bodies, are presented to verify the method and illustrate its efficiency. As an application of the present method, an elastic filament flapping in the Kármán gait and the entrainment regions near a cylinder is studied to model fish swimming in these regions. Significant drag reduction is found for the filament, and the result is consistent with the metabolic cost measured experimentally for the live fish.

Intrinsic Dirac half-metal and quantum anomalous Hall phase in a hexagonal metal-oxide lattice

Science.gov (United States)

Zhang, Shou-juan; Zhang, Chang-wen; Zhang, Shu-feng; Ji, Wei-xiao; Li, Ping; Wang, Pei-ji; Li, Sheng-shi; Yan, Shi-shen

2017-11-01

The quantum anomalous Hall (QAH) effect has attracted extensive attention due to time-reversal symmetry broken by a staggered magnetic flux emerging from ferromagnetic ordering and spin-orbit coupling. However, the experimental observations of the QAH effect are still challenging due to its small nontrivial bulk gap. Here, based on density functional theory and Berry curvature calculations, we propose the realization of intrinsic QAH effect in two-dimensional hexagonal metal-oxide lattice, N b2O3 , which is characterized by the nonzero Chern number (C =1 ) and chiral edge states. Spin-polarized calculations indicate that it exhibits a Dirac half-metal feature with temperature as large as TC=392 K using spin-wave theory. When the spin-orbit coupling is switched on, N b2O3 becomes a QAH insulator. Notably, the nontrivial topology is robust against biaxial strain with its band gap reaching up to Eg=75 meV , which is far beyond room temperature. A tight-binding model is further constructed to understand the origin of nontrivially electronic properties. Our findings on the Dirac half-metal and room-temperature QAH effect in the N b2O3 lattice can serve as an ideal platform for developing future topotronics devices.

Void lattices

International Nuclear Information System (INIS)

Chadderton, L.T.; Johnson, E.; Wohlenberg, T.

1976-01-01

Void lattices in metals apparently owe their stability to elastically anisotropic interactions. An ordered array of voids on the anion sublattice in fluorite does not fit so neatly into this scheme of things. Crowdions may play a part in the formation of the void lattice, and stability may derive from other sources. (Auth.)

Anomalous dimensions from boson lattice models

Science.gov (United States)

de Carvalho, Shaun; de Mello Koch, Robert; Larweh Mahu, Augustine

2018-06-01

Operators dual to strings attached to giant graviton branes in AdS5×S5 can be described rather explicitly in the dual N =4 super-Yang-Mills theory. They have a bare dimension of order N so that for these operators the large N limit and the planar limit are distinct; summing only the planar diagrams will not capture the large N dynamics. Focusing on the one-loop S U (3 ) sector of the theory, we consider operators that are a small deformation of a 1/2 -Bogomol'nyi-Prasad-Sommerfield (BPS) multigiant graviton state. The diagonalization of the dilatation operator at one loop has been carried out in previous studies, but explicit formulas for the operators of a good scaling dimension are only known when certain terms which were argued to be small are neglected. In this article, we include the terms which were neglected. The diagonalization is achieved by a novel mapping which replaces the problem of diagonalizing the dilatation operator with a system of bosons hopping on a lattice. The giant gravitons define the sites of this lattice, and the open strings stretching between distinct giant gravitons define the hopping terms of the Hamiltonian. Using the lattice boson model, we argue that the lowest energy giant graviton states are obtained by distributing the momenta carried by the X and Y fields evenly between the giants with the condition that any particular giant carries only X or Y momenta, but not both.

Anomalous random correlations of force constants on the lattice dynamical properties of disordered Au-Fe alloys

Science.gov (United States)

Kangsabanik, Jiban; Chouhan, Rajiv K.; Johnson, D. D.; Alam, Aftab

2017-09-01

Gold iron (Au-Fe) alloys are of immense interest due to their biocompatibility, anomalous Hall conductivity, and applications in various medical treatments. However, irrespective of the method of preparation, they often exhibit a high level of disorder with properties sensitive to the thermal or magnetic annealing temperatures. We calculate the lattice dynamical properties of Au1 -xFex alloys using density functional theory methods where, being multisite properties, reliable interatomic force constant (IFC) calculations in disordered alloys remain a challenge. We follow a twofold approach: (1) an accurate IFC calculation in an environment with nominally zero chemical pair correlations to mimic the homogeneously disordered alloy and (2) a configurational averaging for the desired phonon properties (e.g., dispersion, density of states, and entropy). We find an anomalous change in the IFC's and phonon dispersion (split bands) near x =0.19 , which is attributed to the local stiffening of the Au-Au bonds when Au is in the vicinity of Fe. Other results based on mechanical and thermophysical properties reflect a similar anomaly: Phonon entropy, e.g., becomes negative below x =0.19 , suggesting a tendency for chemical unmixing, reflecting the onset of a miscibility gap in the phase diagram. Our results match fairly well with reported data wherever available.

Anomalous spreading of a density front from an infinite continuous source in a concentration-dependent lattice gas automaton diffusion model

CERN Document Server

Kuentz, M

2003-01-01

A two-dimensional lattice gas automaton (LGA) is used for simulating concentration-dependent diffusion in a microscopically random heterogeneous structure. The heterogeneous medium is initialized at a low density rho sub 0 and then submitted to a steep concentration gradient by continuous injection of particles at a concentration rho sub 1 >rho sub 0 from a one-dimensional source to model spreading of a density front. Whereas the nonlinear diffusion equation generally used to describe concentration-dependent diffusion processes predicts a scaling law of the type phi = xt sup - sup 1 sup / sup 2 in one dimension, the spreading process is shown to deviate from the expected t sup 1 sup / sup 2 scaling. The time exponent is found to be larger than 1/2, i.e. diffusion of the density front is enhanced with respect to standard Fickian diffusion. It is also established that the anomalous time exponent decreases as time elapses: anomalous spreading is thus not a timescaling process. We demonstrate that occurrence of a...

Faraday wave lattice as an elastic metamaterial.

Science.gov (United States)

Domino, L; Tarpin, M; Patinet, S; Eddi, A

2016-05-01

Metamaterials enable the emergence of novel physical properties due to the existence of an underlying subwavelength structure. Here, we use the Faraday instability to shape the fluid-air interface with a regular pattern. This pattern undergoes an oscillating secondary instability and exhibits spontaneous vibrations that are analogous to transverse elastic waves. By locally forcing these waves, we fully characterize their dispersion relation and show that a Faraday pattern presents an effective shear elasticity. We propose a physical mechanism combining surface tension with the Faraday structured interface that quantitatively predicts the elastic wave phase speed, revealing that the liquid interface behaves as an elastic metamaterial.

Elastic I=3 /2 p -wave nucleon-pion scattering amplitude and the Δ (1232) resonance from Nf=2+1 lattice QCD

DEFF Research Database (Denmark)

Andersen, Christian Walther; Bulava, John; Hörz, Ben

2018-01-01

We present the first direct determination of meson-baryon resonance parameters from a scattering amplitude calculated using lattice QCD. In particular, we calculate the elastic I=3/2, p-wave nucleon-pion amplitude on a single ensemble of Nf=2+1 Wilson-clover fermions with mπ=280 MeV and mK=460 Me......V. At these quark masses, the Δ(1232) resonance pole is found close to the N-π threshold and a Breit-Wigner fit to the amplitude gives gΔNπBW=19.0(4.7) in agreement with phenomenological determinations.......We present the first direct determination of meson-baryon resonance parameters from a scattering amplitude calculated using lattice QCD. In particular, we calculate the elastic I=3/2, p-wave nucleon-pion amplitude on a single ensemble of Nf=2+1 Wilson-clover fermions with mπ=280 MeV and mK=460 Me...

Anomalous magnon Nernst effect of topological magnonic materials

Science.gov (United States)

Wang, X. S.; Wang, X. R.

2018-05-01

The magnon transport driven by a thermal gradient in a perpendicularly magnetized honeycomb lattice is studied. The system with the nearest-neighbor pseudodipolar interaction and the next-nearest-neighbor Dzyaloshinskii–Moriya interaction has various topologically nontrivial phases. When an in-plane thermal gradient is applied, a transverse in-plane magnon current is generated. This phenomenon is termed as the anomalous magnon Nernst effect that closely resembles the anomalous Nernst effect for an electronic system. The anomalous magnon Nernst coefficient and its sign are determined by the magnon Berry curvature distributions in the momentum space and magnon populations in the magnon bands. We predict a temperature-induced sign reversal in anomalous magnon Nernst effect under certain conditions.

Anomalous magnon Nernst effect of topological magnonic materials

OpenAIRE

Wang, X. S.; Wang, X. R.

2017-01-01

The magnon transport driven by thermal gradient in a perpendicularly magnetized honeycomb lattice is studied. The system with the nearest-neighbor pseudodipolar interaction and the next-nearest-neighbor Dzyaloshinskii-Moriya interaction (DMI) has various topologically nontrivial phases. When an in-plane thermal gradient is applied, a transverse in-plane magnon current is generated. This phenomenon is termed as the anomalous magnon Nernst effect that closely resembles the anomalous Nernst effe...

Anomalous thermodynamic behaviour of novel compounds: inelastic neutron scattering and lattice dynamics studies

International Nuclear Information System (INIS)

Mittal, R.

2014-01-01

The understanding of the thermodynamic properties of solids has important applications in diverse areas like condensed matter physics, materials science, mineralogy, geophysics, etc. We have been extensively investigating anomalous thermodynamic properties of compounds using the techniques of inelastic neutron scattering and lattice dynamics. We would present some of the results from our recent studies. Studies of materials exhibiting anomalous thermal expansion are of interest due to their fundamental scientific importance and potential applications in ceramic, optical and electronic industry etc. We have studied the thermodynamic properties of negative thermal expansion (NTE) compounds ZrW 2 O 8 , HfW 2 O 8 , ZrMo 2 O 8 , ZrV 2 O 7 , HfV 2 O 7 , Zn(CN) 2 , Cu 2 O, Ag 2 O, Ag 3 Co(CN) 6 and Ag 3 Fe(CN) 6 . Our calculations predicted that large softening of the phonon spectrum involving librational and translational modes below 10 MeV would be responsible for anomalous thermal expansion behaviour. High pressure inelastic neutron scattering experiments carried by us on cubic ZrW 2 O 8 , ZrMo 2 O 8 and Zn(CN) 2 confirmed the phonon softening. Our studies indicate that unusual phonon softening of low energy modes is able to account for the thermal expansion behaviour in these compounds. Superionic conduction in fluorite-structured (anti-fluorite, Li 2 O) oxides (MO 2 , M= U, Th) have applications in energy storage, conversion and nuclear industry. The possible role of phonon in initiation of diffusion has been studied in Li 2 O. We found that in the superionic regime lithium atoms may exhibit macroscopic movement along (100) direction. The microscopic modeling or simulation is found to play a pivotal role in understanding the conduction processes at high temperatures in Li 2 O. We have also studied zircon structured compounds MSiO 4 (M=Zr, Hf, Th, U), RPO 4 , (R=rare earth atom). The compounds are known to transform to the scheelite (body centered tetragonal, I4 1 /a

Anomalous magneto-elastic and charge doping effects in thallium-doped BaFe2As2

Science.gov (United States)

Sefat, Athena S.; Li, Li; Cao, Huibo B.; McGuire, Michael A.; Sales, Brian; Custelcean, Radu; Parker, David S.

2016-01-01

Within the BaFe2As2 crystal lattice, we partially substitute thallium for barium and report the effects of interlayer coupling in Ba1-xTlxFe2As2 crystals. We demonstrate the unusual effects of magneto-elastic coupling and charge doping in this iron-arsenide material, whereby Néel temperature rises with small x, and then falls with additional x. Specifically, we find that Néel and structural transitions in BaFe2As2 (TN = Ts = 133 K) increase for x = 0.05 (TN = 138 K, Ts = 140 K) from magnetization, heat capacity, resistivity, and neutron diffraction measurements. Evidence from single crystal X-ray diffraction and first principles calculations attributes the stronger magnetism in x = 0.05 to magneto-elastic coupling related to the shorter intraplanar Fe-Fe bond distance. With further thallium substitution, the transition temperatures decrease for x = 0.09 (TN = Ts = 131 K), and this is due to charge doping. We illustrate that small changes related to 3d transition-metal state can have profound effects on magnetism. PMID:26867821

Lattice Dynamics of fcc Ca

DEFF Research Database (Denmark)

Stassis, C.; Zaretsky, J.; Misemer, D. K.;

1983-01-01

A large single crystal of FCC Ca was grown and was used to study the lattice dynamics of this divalent metal by coherent inelastic neutron scattering. The phonon dispersion curves were measured, at room temperature, along the [ξ00], [ξξ0], [ξξξ], and [0ξ1] symmetry directions. The dispersion curves...... to the propagation of elastic waves. The frequencies of the T1[ξξ0] branch for ξ between approximately 0.5 and 0.8 are slightly above the velocity-of-sound line determined from the low-frequency measurements. Since a similar effect has been observed in FCC Yb, it is natural to assume that the anomalous dispersion...... bear a striking resemblance to those of FCC Yb, which is also a divalent metal with an electronic band structure similar to that of Ca. In particular, the shear moduli c44 and (c11-c 12)/2 differ by a factor of 3.4, which implies that FCC Ca (like FCC Yb) is very anisotropic with regard...

In Situ Investigation of the Evolution of Lattice Strain and Stresses in Austenite and Martensite During Quenching and Tempering of Steel

Science.gov (United States)

Villa, M.; Niessen, F.; Somers, M. A. J.

2018-01-01

Energy dispersive synchrotron X-ray diffraction was applied to investigate in situ the evolution of lattice strains and stresses in austenite and martensite during quenching and tempering of a soft martensitic stainless steel. In one experiment, lattice strains in austenite and martensite were measured in situ in the direction perpendicular to the sample surface during an austenitization, quenching, and tempering cycle. In a second experiment, the sin2 ψ method was applied in situ during the austenite-to-martensite transformation to distinguish between macro- and phase-specific micro-stresses and to follow the evolution of these stresses during transformation. Martensite formation evokes compressive stress in austenite that is balanced by tensile stress in martensite. Tempering to 748 K (475 °C) leads to partial relaxation of these stresses. Additionally, data reveal that (elastic) lattice strain in austenite is not hydrostatic but hkl dependent, which is ascribed to plastic deformation of this phase during martensite formation and is considered responsible for anomalous behavior of the 200 γ reflection.

The elasticity anisotropy in the basal atomic planes of Mg(OH)2 and Ca(OH)2 associated with auxetic elastic properties of the hydrogen sub-lattice

International Nuclear Information System (INIS)

Harutyunyan, Valeri S.; Abrahamyan, Aren A.; Aivazyan, Ashot P.

2013-01-01

Graphical abstract: To the out-of-plane strain ε x induced in the (0 0 0 1) atomic planes of Mg(OH) 2 , the contributions of constituent octahedral layers ε x (1) and interlayers ε x (2) are of opposite sign. Highlights: ► Elasticity anisotropy of rare earth metal hydroxides is theoretically analyzed. ► Elastic anisotropy within (0 0 0 1) atomic planes is studied from energy consideration. ► The out-of-plane Poisson’s ratios of octahedral layers and interlayers are of opposite sign. ► Auxeticity of the hydrogen sublattice (interlayers) results from weak interlayer bonding. ► The obtained expression for the in-plane Young’s modulus results in useful conclusions. - Abstract: Within the framework of the Hook’s generalized law and using the experimental data for characteristic crystallographic parameters and stiffness constants available from literature, the individual elastic properties of constituent octahedral layers and interlayers of the (0 0 0 1) atomic planes in the Mg(OH) 2 and Ca(OH) 2 crystal lattices are theoretically quantified from intermolecular interaction energy. It is shown that, under uniaxial type of deformation applied along the (0 0 0 1) basal planes, in the “load-deformation response” the octahedral layers and interlayers exhibit the positive and negative Poisson’s ratio, respectively. Manifestation of such a type strong elastic anisotropy in the basal atomic planes and auxetic elastic behavior of the hydrogen sub-lattice (interlayers) upon applied uniaxial load result from a large difference in the strength of bonding within octahedral layers and interlayers. The intermolecular binding energy is contributed both by “hydroxyl–hydroxyl” and “metal atom–hydroxyl” dispersion interactions, whereas the Young’s modulus in the direction parallel to a (0 0 0 1) plane is practically contributed only by the former interaction. For this Young’s modulus, an approximate analytical expression is derived, which is

Spin-orbit and spin-lattice coupling

International Nuclear Information System (INIS)

Bauer, Gerrit E.W.; Ziman, Timothy; Mori, Michiyasu

2014-01-01

We pursued theoretical research on the coupling of electron spins in the condensed matter to the lattice as mediated by the spin-orbit interaction with special focus on the spin and anomalous Hall effects. (author)

Free vibration analysis of a cracked shear deformable beam on a two-parameter elastic foundation using a lattice spring model

Science.gov (United States)

Attar, M.; Karrech, A.; Regenauer-Lieb, K.

2014-05-01

The free vibration of a shear deformable beam with multiple open edge cracks is studied using a lattice spring model (LSM). The beam is supported by a so-called two-parameter elastic foundation, where normal and shear foundation stiffnesses are considered. Through application of Timoshenko beam theory, the effects of transverse shear deformation and rotary inertia are taken into account. In the LSM, the beam is discretised into a one-dimensional assembly of segments interacting via rotational and shear springs. These springs represent the flexural and shear stiffnesses of the beam. The supporting action of the elastic foundation is described also by means of normal and shear springs acting on the centres of the segments. The relationship between stiffnesses of the springs and the elastic properties of the one-dimensional structure are identified by comparing the homogenised equations of motion of the discrete system and Timoshenko beam theory.

Schwinger Model Mass Anomalous Dimension

CERN Document Server

Keegan, Liam

2016-06-20

The mass anomalous dimension for several gauge theories with an infrared fixed point has recently been determined using the mode number of the Dirac operator. In order to better understand the sources of systematic error in this method, we apply it to a simpler model, the massive Schwinger model with two flavours of fermions, where analytical results are available for comparison with the lattice data.

Contemporary Use of Anomalous Diffraction in Biomolecular Structure Analysis

Energy Technology Data Exchange (ETDEWEB)

Liu Q.; Hendrickson, W.

2017-01-01

The normal elastic X-ray scattering that depends only on electron density can be modulated by an ?anomalous? component due to resonance between X-rays and electronic orbitals. Anomalous scattering thereby precisely identifies atomic species, since orbitals distinguish atomic elements, which enables the multi- and single-wavelength anomalous diffraction (MAD and SAD) methods. SAD now predominates in de novo structure determination of biological macromolecules, and we focus here on the prevailing SAD method. We describe the anomalous phasing theory and the periodic table of phasing elements that are available for SAD experiments, differentiating between those readily accessible for at-resonance experiments and those that can be effective away from an edge. We describe procedures for present-day SAD phasing experiments and we discuss optimization of anomalous signals for challenging applications. We also describe methods for using anomalous signals as molecular markers for tracing and element identification. Emerging developments and perspectives are discussed in brief.

Anomalous diffusion in a lattice-gas wind-tree model

International Nuclear Information System (INIS)

Kong, X.P.; Cohen, E.G.D.

1989-01-01

Two new strictly deterministic lattice-gas automata derived from Ehrenfest's wind-tree model are studied. While in one model normal diffusion occurs, the other model exhibits abnormal diffusion in that the distribution function of the displacements of the wind particle is non-Gaussian, but its second moment, the mean-square displacement, is proportional to the time, so that a diffusion coefficient can be defined. A connection with the percolation problem and a self-avoiding random walk for the case in which the lattice is completely covered with trees is discussed

Density functional calculations of elastic properties of portlandite, Ca(OH)(2)

DEFF Research Database (Denmark)

Laugesen, Jakob Lund

2005-01-01

The elastic constants of portlandite, Ca(OH)(2), are calculated by use of density functional theory. A lattice optimization of an infinite (periodic boundary conditions) lattice is performed on which strains are applied. The elastic constants are extracted by minimizing Hooke's law of linear...

Lattice dynamics and lattice thermal conductivity of thorium dicarbide

Energy Technology Data Exchange (ETDEWEB)

Liao, Zongmeng [Institute of Theoretical Physics and Department of Physics, East China Normal University, Shanghai 200241 (China); Huai, Ping, E-mail: huaiping@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Qiu, Wujie [Institute of Theoretical Physics and Department of Physics, East China Normal University, Shanghai 200241 (China); State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Ke, Xuezhi, E-mail: xzke@phy.ecnu.edu.cn [Institute of Theoretical Physics and Department of Physics, East China Normal University, Shanghai 200241 (China); Zhang, Wenqing [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Zhu, Zhiyuan [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China)

2014-11-15

The elastic and thermodynamic properties of ThC{sub 2} with a monoclinic symmetry have been studied by means of density functional theory and direct force-constant method. The calculated properties including the thermal expansion, the heat capacity and the elastic constants are in a good agreement with experiment. Our results show that the vibrational property of the C{sub 2} dimer in ThC{sub 2} is similar to that of a free standing C{sub 2} dimer. This indicates that the C{sub 2} dimer in ThC{sub 2} is not strongly bonded to Th atoms. The lattice thermal conductivity for ThC{sub 2} was calculated by means of the Debye–Callaway model. As a comparison, the conductivity of ThC was also calculated. Our results show that the ThC and ThC{sub 2} contributions of the lattice thermal conductivity to the total conductivity are 29% and 17%, respectively.

Spin Chern number and topological phase transition on the Lieb lattice with spin–orbit coupling

International Nuclear Information System (INIS)

Chen, Rui; Zhou, Bin

2017-01-01

We propose that quantum anomalous Hall effect may occur in the Lieb lattice, when Rashba spin–orbit coupling, spin-independent and spin-dependent staggered potentials are introduced into the lattice. It is found that spin Chern numbers of two degenerate flat bands change from 0 to ±2 due to Rashba spin–orbit coupling effect. The inclusion of Rashba spin–orbit coupling and two kinds of staggered potentials opens a gap between the two flat bands. The topological property of the gap is determined by the amplitudes of Rashba spin–orbit coupling and staggered potentials, and thus the topological phase transition from quantum anomalous Hall effect to normal insulator can occur. Finally, the topological phase transition from quantum spin Hall state to normal insulator is discussed when Rashba spin–orbit coupling and intrinsic spin–orbit coupling coexist in the Lieb lattice. - Highlights: • Spin Chern numbers of the bulk states on the Lieb lattice are calculated. • RSOC plays an important role on the topological phase transition on the Lieb lattice. • Quantum anomalous Hall effect can occur due to RSOC and staggered potentials. • Topological phase transition can occur when ISOC and RSOC coexist.

Elastic interactions between hydrogen atoms in metals. II. Elastic interaction energies

International Nuclear Information System (INIS)

Shirley, A.I.; Hall, C.K.

1986-01-01

The fully harmonic lattice approximation derived in a previous paper is used to calculate the elastic interaction energies in the niobium-hydrogen system. The permanent-direct, permanent-indirect, induced-direct, and induced-indirect forces calculated previously each give rise to a corresponding elastic interaction between hydrogen atoms. The latter three interactions have three- and four-body terms in addition to the usual two-body terms. These quantities are calculated and compared with the corresponding two-body permanent elastic interactions obtained in the harmonic-approximation treatment of Horner and Wagner. The results show that the total induced elastic energy is approximately (1/3) the size of the total permanent elastic energy and opposite to it in sign. The total elastic energy due to three-body interactions is approximately (1/4) the size of the total two-body elastic energy, while the total four-body elastic energy is approximately 5% of the total two-body energy. These additional elastic energies are expected to have a profound effect on the thermodynamic and phase-change behavior of a metal hydride

Electron's anomalous magnetic-moment effects on electron-hydrogen elastic collisions in the presence of a circularly polarized laser field

International Nuclear Information System (INIS)

Elhandi, S.; Taj, S.; Attaourti, Y.; Manaut, B.; Oufni, L.

2010-01-01

The effect of the electron's anomalous magnetic moment on the relativistic electronic dressing for the process of electron-hydrogen atom elastic collisions is investigated. We consider a laser field with circular polarization and various electric field strengths. The Dirac-Volkov states taking into account this anomaly are used to describe the process in the first order of perturbation theory. The correlation between the terms coming from this anomaly and the electric field strength gives rise to the strong dependence of the spinor part of the differential cross section (DCS) with respect to these terms. A detailed study has been devoted to the nonrelativistic regime as well as the moderate relativistic regime. Some aspects of this dependence as well as the dynamical behavior of the DCS in the relativistic regime have been addressed.

Anomalous anisotropic compression behavior of superconducting CrAs under high pressure

Science.gov (United States)

Yu, Zhenhai; Wu, Wei; Hu, Qingyang; Zhao, Jinggeng; Li, Chunyu; Yang, Ke; Cheng, Jinguang; Luo, Jianlin; Wang, Lin; Mao, Ho-kwang

2015-01-01

CrAs was observed to possess the bulk superconductivity under high-pressure conditions. To understand the superconducting mechanism and explore the correlation between the structure and superconductivity, the high-pressure structural evolution of CrAs was investigated using the angle-dispersive X-ray diffraction (XRD) method. The structure of CrAs remains stable up to 1.8 GPa, whereas the lattice parameters exhibit anomalous compression behaviors. With increasing pressure, the lattice parameters a and c both demonstrate a nonmonotonic change, and the lattice parameter b undergoes a rapid contraction at ∼0.18−0.35 GPa, which suggests that a pressure-induced isostructural phase transition occurs in CrAs. Above the phase transition pressure, the axial compressibilities of CrAs present remarkable anisotropy. A schematic band model was used to address the anomalous compression behavior of CrAs. The present results shed light on the structural and related electronic responses to high pressure, which play a key role toward understanding the superconductivity of CrAs. PMID:26627230

Common misconceptions about the dynamical theory of crystal lattices: Cauchy relations, lattice potentials and infinite crystals

International Nuclear Information System (INIS)

Elcoro, Luis; Etxebarria, Jesus

2011-01-01

The requirement of rotational invariance for lattice potential energies is investigated. Starting from this condition, it is shown that the Cauchy relations for the elastic constants are fulfilled if the lattice potential is built from pair interactions or when the first-neighbour approximation is adopted. This is seldom recognized in widely used solid-state textbooks. Frequently, pair interaction is even considered to be the most general situation. In addition, it is shown that the demand of rotational invariance in an infinite crystal leads to inconsistencies in the symmetry of the elastic tensor. However, for finite crystals, no problems arise, and the Huang conditions are deduced using exclusively a microscopic approach for the elasticity theory, without making any reference to macroscopic parameters. This work may be useful in both undergraduate and graduate level courses to point out the crudeness of the pair-potential interaction and to explore the limits of the infinite-crystal approximation.

GNET detected an anomalous "spike" in ice loss in Greenland during the 2010 melting season

DEFF Research Database (Denmark)

Bevis, Michael G; Wahr, John M; Khan, Shfaqat Abbas

’s instantaneous elastic response to contemporary losses in ice mass. Superimposed on longer term trends, an anomalous ‘pulse’ of uplift accumulated at many GNET stations during a ~5 month period in 2010, and we will show that this anomalous uplift is spatially correlated with the 2010 melting day anomaly (Tedesco...

Anomalous diffusion of fermions in superlattices

International Nuclear Information System (INIS)

Drozdz, S.; Okolowicz, J.; Srokowski, T.; Ploszajczak, M.

1996-03-01

Diffusion of fermions in the periodic two-dimensional lattice of fermions is studied. It is shown that effects connected with antisymmetrization of the wave function increase chaoticness of motion. Various types of anomalous diffusion, characterized by a power spectral analysis are found. The nonlocality of the Pauli potential destroys cantori in the phase space. Consequently, the diffusion process is dominated by long free paths and the power spectrum is logarithmic at small frequency limit. (author)

Lattice continuum and diffusional creep.

Science.gov (United States)

Mesarovic, Sinisa Dj

2016-04-01

Diffusional creep is characterized by growth/disappearance of lattice planes at the crystal boundaries that serve as sources/sinks of vacancies, and by diffusion of vacancies. The lattice continuum theory developed here represents a natural and intuitive framework for the analysis of diffusion in crystals and lattice growth/loss at the boundaries. The formulation includes the definition of the Lagrangian reference configuration for the newly created lattice, the transport theorem and the definition of the creep rate tensor for a polycrystal as a piecewise uniform, discontinuous field. The values associated with each crystalline grain are related to the normal diffusional flux at grain boundaries. The governing equations for Nabarro-Herring creep are derived with coupled diffusion and elasticity with compositional eigenstrain. Both, bulk diffusional dissipation and boundary dissipation accompanying vacancy nucleation and absorption, are considered, but the latter is found to be negligible. For periodic arrangements of grains, diffusion formally decouples from elasticity but at the cost of a complicated boundary condition. The equilibrium of deviatorically stressed polycrystals is impossible without inclusion of interface energies. The secondary creep rate estimates correspond to the standard Nabarro-Herring model, and the volumetric creep is small. The initial (primary) creep rate is estimated to be much larger than the secondary creep rate.

Toward lattice fractional vector calculus

International Nuclear Information System (INIS)

Tarasov, Vasily E

2014-01-01

An analog of fractional vector calculus for physical lattice models is suggested. We use an approach based on the models of three-dimensional lattices with long-range inter-particle interactions. The lattice analogs of fractional partial derivatives are represented by kernels of lattice long-range interactions, where the Fourier series transformations of these kernels have a power-law form with respect to wave vector components. In the continuum limit, these lattice partial derivatives give derivatives of non-integer order with respect to coordinates. In the three-dimensional description of the non-local continuum, the fractional differential operators have the form of fractional partial derivatives of the Riesz type. As examples of the applications of the suggested lattice fractional vector calculus, we give lattice models with long-range interactions for the fractional Maxwell equations of non-local continuous media and for the fractional generalization of the Mindlin and Aifantis continuum models of gradient elasticity. (papers)

Toward lattice fractional vector calculus

Science.gov (United States)

Tarasov, Vasily E.

2014-09-01

An analog of fractional vector calculus for physical lattice models is suggested. We use an approach based on the models of three-dimensional lattices with long-range inter-particle interactions. The lattice analogs of fractional partial derivatives are represented by kernels of lattice long-range interactions, where the Fourier series transformations of these kernels have a power-law form with respect to wave vector components. In the continuum limit, these lattice partial derivatives give derivatives of non-integer order with respect to coordinates. In the three-dimensional description of the non-local continuum, the fractional differential operators have the form of fractional partial derivatives of the Riesz type. As examples of the applications of the suggested lattice fractional vector calculus, we give lattice models with long-range interactions for the fractional Maxwell equations of non-local continuous media and for the fractional generalization of the Mindlin and Aifantis continuum models of gradient elasticity.

On non local elasticity and its relation with lattice dynamics

International Nuclear Information System (INIS)

Idiodi, J.O.A.

1984-11-01

In this paper we have modelled a three-dimensional discrete lattice by a nonlocal continuum which possesses dispersive phonons. Previous efforts in the development of non-local theories appear not to have paid much attention to establishing actual contact with the nontrivial models frequently employed in lattice dynamics. As a first attempt in this direction, we present in this paper explicit results for the form of a non-local stress-tensor that describes exactly the lattice dynamical model of Gazis, Herman and Wallis. This model takes into account angular stiffness forces involving consecutive nearest neighbours forming a right angle at equilibrium. In addition, a general result for the surface eigenmodes of a semi-finite isotropic medium is derived. One of the justifications for this kind of study is the simpler approach it offers to the problems of interest in lattice dynamics. (author)

High-order dynamic lattice method for seismic simulation in anisotropic media

Science.gov (United States)

Hu, Xiaolin; Jia, Xiaofeng

2018-03-01

The discrete particle-based dynamic lattice method (DLM) offers an approach to simulate elastic wave propagation in anisotropic media by calculating the anisotropic micromechanical interactions between these particles based on the directions of the bonds that connect them in the lattice. To build such a lattice, the media are discretized into particles. This discretization inevitably leads to numerical dispersion. The basic lattice unit used in the original DLM only includes interactions between the central particle and its nearest neighbours; therefore, it represents the first-order form of a particle lattice. The first-order lattice suffers from numerical dispersion compared with other numerical methods, such as high-order finite-difference methods, in terms of seismic wave simulation. Due to its unique way of discretizing the media, the particle-based DLM no longer solves elastic wave equations; this means that one cannot build a high-order DLM by simply creating a high-order discrete operator to better approximate a partial derivative operator. To build a high-order DLM, we carry out a thorough dispersion analysis of the method and discover that by adding more neighbouring particles into the lattice unit, the DLM will yield different spatial accuracy. According to the dispersion analysis, the high-order DLM presented here can adapt the requirement of spatial accuracy for seismic wave simulations. For any given spatial accuracy, we can design a corresponding high-order lattice unit to satisfy the accuracy requirement. Numerical tests show that the high-order DLM improves the accuracy of elastic wave simulation in anisotropic media.

Elastic interaction energies of defect structures

International Nuclear Information System (INIS)

Seitz, E.; de Fontaine, D.

1976-01-01

The elastic strain energy between point defects and small disk-shaped clusters of defects are calculated to determine stable configurations. A distortion tensor of tetragonal symmetry is assigned to each impurity atom. The tetragonality ratio t is varied to cover needle-type (t greater than 1), spherical (t = 1) and disk-type (t less than 0) strain fields. To vary the elastic properties of the host material, Fe, Cu, Al, and V were chosen as examples. Computer calculations are based on the microscopic theory of elasticity which emphasizes calculations in discrete Fourier space. Pairs of point defects order along [001] for t less than 1 and along (001) for t = 1 for all host elements. For t greater than 1 fcc lattices and bcc lattices behave differently. It is shown that only certain three dimensional periodic arrangements of parallel and perpendicular disk-like defect clusters are realized for given tetragonality ratio t and host element

Theory of the change of elastic constants by interstitials

International Nuclear Information System (INIS)

Breuer, N.; Dederichs, P.H.; Lehmann, C.; Leibfried, G.; Scholz, A.

1975-01-01

The theory of the change of elastic constants by point-defects, in particular by interstitials, is briefly summarized. The typical effects of spring changes in a defect lattice on the elastic data are discussed qualitatively. Numerical results for the change of elastic constants by self-interstitials and vacancies are given and compared with experimental data for Cu and Al

Hadronic matrix elements in lattice QCD

International Nuclear Information System (INIS)

Jaeger, Benjamin

2014-01-01

The lattice formulation of Quantum ChromoDynamics (QCD) has become a reliable tool providing an ab initio calculation of low-energy quantities. Despite numerous successes, systematic uncertainties, such as discretisation effects, finite-size effects, and contaminations from excited states, are inherent in any lattice calculation. Simulations with controlled systematic uncertainties and close to the physical pion mass have become state-of-the-art. We present such a calculation for various hadronic matrix elements using non-perturbatively O(a)-improved Wilson fermions with two dynamical light quark flavours. The main topics covered in this thesis are the axial charge of the nucleon, the electro-magnetic form factors of the nucleon, and the leading hadronic contributions to the anomalous magnetic moment of the muon. Lattice simulations typically tend to underestimate the axial charge of the nucleon by 5-10%. We show that including excited state contaminations using the summed operator insertion method leads to agreement with the experimentally determined value. Further studies of systematic uncertainties reveal only small discretisation effects. For the electro-magnetic form factors of the nucleon, we see a similar contamination from excited states as for the axial charge. The electro-magnetic radii, extracted from a dipole fit to the momentum dependence of the form factors, show no indication of finite-size or cutoff effects. If we include excited states using the summed operator insertion method, we achieve better agreement with the radii from phenomenology. The anomalous magnetic moment of the muon can be measured and predicted to very high precision. The theoretical prediction of the anomalous magnetic moment receives contribution from strong, weak, and electro-magnetic interactions, where the hadronic contributions dominate the uncertainties. A persistent 3σ tension between the experimental determination and the theoretical calculation is found, which is

First-principles studies on the pressure dependences of the stress-strain relationship and elastic stability of semiconductors

International Nuclear Information System (INIS)

Wang, S Q; Ye, H Q; Yip, S

2006-01-01

We investigate the stress-strain relationship and elastic stability of zinc-blende GaP, GaN, InP and BN lattices under hydrostatic pressure by first-principles calculation. A simple and direct ab initio implementation for studying the mechanical properties of cubic crystals is developed. The four phases' full-set stress-strain coefficients in wide pressure ranges are theoretically calculated. The fundamental mechanism of elastic stability and the origin of phase transformation under hydrostatic pressure are explored. We found that the abilities for most of these lattices are enhanced to sustain axial strain but weaken to shear strain under higher pressure. The conditions of lattice stability are analysed using both the thermodynamic work-energy criterion and the elastic-stiffness criteria. We show that the lattice collapse of the perfect crystals is caused by the disappearance of their bulk moduli under volume dilation. Lattice defects are considered to be the main reason causing phase transformation under pressure. The correlation between the phonon softening and the variation of elastic coefficients is studied. The pressure dependence of the Kleinman internal strain parameter and its relationship to elastic stability is also explored

Elastic properties of graphite and interstitial defects

International Nuclear Information System (INIS)

Ayasse, J.-B.

1977-01-01

The graphite elastic constants C 33 and C 44 , reflecting the interaction of the graphitic planes, were experimentally measured as a function of irradiation and temperature. A model of non-central strength atomic interaction was established to explain the experimental results obtained. This model is valid at zero temperature. The temperature dependence of the elastic properties was analyzed. The influence of the elastic property variations on the specific heat of the lattice at very low temperature was investigated [fr

Kinetically Inhibited Order in a Diamond-Lattice Antiferromagnet

International Nuclear Information System (INIS)

MacDougall, Gregory J.; Gout, Delphine J.; Zarestky, Jerel L.; Ehlers, Georg; Podlesnyak, Andrey A.; McGuire, Michael A.; Mandrus, David; Nagler, Stephen E.

2011-01-01

Frustrated magnetic systems exhibit highly degenerate ground states and strong fluctuations, often leading to new physics. An intriguing example of current interest is the antiferromagnet on a diamond lattice, realized physically in the A-site spinel materials. This is a prototypical system in three dimensions where frustration arises from competing interactions rather than purely geometric constraints, and theory suggests the possibility of novel order at low temperature. Here we present a comprehensive single crystal neutron scattering study CoAl2O4, a highly frustrated A-site spinel. We observe strong diffuse scattering that peaks at wavevectors associated with Neel ordering. Below the temperature T*=6.5K, there is a dramatic change in elastic scattering lineshape accompanied by the emergence of well-defined spin-wave excitations. T* had previously been associated with the onset of glassy behavior. Our new results suggest instead that in fact T* signifies a first-order phase transition, but with true long-range order inhibited by the kinetic freezing of domain walls. This scenario might be expected to occur widely in frustrated systems containing first-order phase transitions and is a natural explanation for existing reports of anomalous glassy behavior in other materials.

Lattice dynamics, elasticity and magnetic abnormality in ordered crystalline alloys Fe3Pt at high pressures

Science.gov (United States)

Cheng, Tai-min; Yu, Guo-Liang; Su, Yong; Ge, Chong-Yuan; Zhang, Xin-Xin; Zhu, Lin; Li, Lin

2018-05-01

The ordered crystalline Invar alloy Fe3Pt is in a special magnetic critical state, under which the lattice dynamic stability of the system is extremely sensitive to external pressures. We studied the pressure dependence of enthalpy and magnetism of Fe3Pt in different crystalline alloys by using the first-principles projector augmented-wave method based on the density functional theory. Results show that the P4/mbm structure is the ground state structure and is more stable relative to other structures at pressures below 18.54 GPa. The total magnetic moments of L12, I4/mmm and DO22 structures decrease rapidly with pressure and oscillate near the ferromagnetic collapse critical pressure. At the pressure of 43 GPa, the ferrimagnetic property in DO22 structure becomes apparently strengthened and its volume increases rapidly. The lattice dynamics calculation for L12 structures at high pressures shows that the spontaneous magnetization of the system in ferromagnetic states induces the softening of the transverse acoustic phonon TA1 (M), and there exists a strong spontaneous volume magnetostriction at pressures below 26.95 GPa. Especially, the lattice dynamics stability is sensitive to pressure, in the pressure range between the ferromagnetic collapse critical pressure (41.9 GPa) and the magnetism completely disappearing pressure (57.25 GPa), and near the pressure of phase transition from L12 to P4/mbm structure (27.27 GPa). Moreover, the instability of magnetic structure leads to a prominent elastic modulus oscillation, and the spin polarizability of electrons near the Fermi level is very sensitive to pressures in that the pressure range. The pressure induces the stability of the phonon spectra of the system at pressures above 57.25 GPa.

Subdiffusive master equation with space-dependent anomalous exponent and structural instability

Science.gov (United States)

Fedotov, Sergei; Falconer, Steven

2012-03-01

We derive the fractional master equation with space-dependent anomalous exponent. We analyze the asymptotic behavior of the corresponding lattice model both analytically and by Monte Carlo simulation. We show that the subdiffusive fractional equations with constant anomalous exponent μ in a bounded domain [0,L] are not structurally stable with respect to the nonhomogeneous variations of parameter μ. In particular, the Gibbs-Boltzmann distribution is no longer the stationary solution of the fractional Fokker-Planck equation whatever the space variation of the exponent might be. We analyze the random distribution of μ in space and find that in the long-time limit, the probability distribution is highly intermediate in space and the behavior is completely dominated by very unlikely events. We show that subdiffusive fractional equations with the nonuniform random distribution of anomalous exponent is an illustration of a “Black Swan,” the low probability event of the small value of the anomalous exponent that completely dominates the long-time behavior of subdiffusive systems.

Causal vs. analytic constraints on anomalous quartic gauge couplings

International Nuclear Information System (INIS)

Vecchi, L.

2007-01-01

We derive one loop constraints on the anomalous quartic gauge couplings using a general non-forward dispersion relation for the elastic scattering amplitude of two longitudinally polarized vector bosons. We show that for exactly chiral theories more stringent bounds can be obtained by the assumption that the underlying theory satisfies the causality principle of Special Relativity

Causal vs. Analytic constraints on anomalous quartic gauge couplings

OpenAIRE

Vecchi, Luca

2007-01-01

We derive one loop constraints on the anomalous quartic gauge couplings using a general non-forward dispersion relation for the elastic scattering amplitude of two longitudinally polarized vector bosons. We compare this result with another one derived by the assumption that the underlying theory satisfies the causality principle of Special Relativity and show that this latter is more constraining.

Fracton-Elasticity Duality

Science.gov (United States)

Pretko, Michael; Radzihovsky, Leo

2018-05-01

Motivated by recent studies of fractons, we demonstrate that elasticity theory of a two-dimensional quantum crystal is dual to a fracton tensor gauge theory, providing a concrete manifestation of the fracton phenomenon in an ordinary solid. The topological defects of elasticity theory map onto charges of the tensor gauge theory, with disclinations and dislocations corresponding to fractons and dipoles, respectively. The transverse and longitudinal phonons of crystals map onto the two gapless gauge modes of the gauge theory. The restricted dynamics of fractons matches with constraints on the mobility of lattice defects. The duality leads to numerous predictions for phases and phase transitions of the fracton system, such as the existence of gauge theory counterparts to the (commensurate) crystal, supersolid, hexatic, and isotropic fluid phases of elasticity theory. Extensions of this duality to generalized elasticity theories provide a route to the discovery of new fracton models. As a further consequence, the duality implies that fracton phases are relevant to the study of interacting topological crystalline insulators.

Rubber elasticity for percolation network consisting of Gaussian chains

Energy Technology Data Exchange (ETDEWEB)

Nishi, Kengo, E-mail: kengo.nishi@phys.uni-goettingen.de, E-mail: sakai@tetrapod.t.u-tokyo.ac.jp, E-mail: sibayama@issp.u-tokyo.ac.jp; Noguchi, Hiroshi; Shibayama, Mitsuhiro, E-mail: kengo.nishi@phys.uni-goettingen.de, E-mail: sakai@tetrapod.t.u-tokyo.ac.jp, E-mail: sibayama@issp.u-tokyo.ac.jp [Institute for Solid State Physics, The University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8581 (Japan); Sakai, Takamasa, E-mail: kengo.nishi@phys.uni-goettingen.de, E-mail: sakai@tetrapod.t.u-tokyo.ac.jp, E-mail: sibayama@issp.u-tokyo.ac.jp [Department of Bioengineering, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)

2015-11-14

A theory describing the elastic modulus for percolation networks of Gaussian chains on general lattices such as square and cubic lattices is proposed and its validity is examined with simulation and mechanical experiments on well-defined polymer networks. The theory was developed by generalizing the effective medium approximation (EMA) for Hookian spring network to Gaussian chain networks. From EMA theory, we found that the ratio of the elastic modulus at p, G to that at p = 1, G{sub 0}, must be equal to G/G{sub 0} = (p − 2/f)/(1 − 2/f) if the position of sites can be determined so as to meet the force balance, where p is the degree of cross-linking reaction. However, the EMA prediction cannot be applicable near its percolation threshold because EMA is a mean field theory. Thus, we combine real-space renormalization and EMA and propose a theory called real-space renormalized EMA, i.e., REMA. The elastic modulus predicted by REMA is in excellent agreement with the results of simulations and experiments of near-ideal diamond lattice gels.

Rubber elasticity for percolation network consisting of Gaussian chains

International Nuclear Information System (INIS)

Nishi, Kengo; Noguchi, Hiroshi; Shibayama, Mitsuhiro; Sakai, Takamasa

2015-01-01

A theory describing the elastic modulus for percolation networks of Gaussian chains on general lattices such as square and cubic lattices is proposed and its validity is examined with simulation and mechanical experiments on well-defined polymer networks. The theory was developed by generalizing the effective medium approximation (EMA) for Hookian spring network to Gaussian chain networks. From EMA theory, we found that the ratio of the elastic modulus at p, G to that at p = 1, G 0 , must be equal to G/G 0 = (p − 2/f)/(1 − 2/f) if the position of sites can be determined so as to meet the force balance, where p is the degree of cross-linking reaction. However, the EMA prediction cannot be applicable near its percolation threshold because EMA is a mean field theory. Thus, we combine real-space renormalization and EMA and propose a theory called real-space renormalized EMA, i.e., REMA. The elastic modulus predicted by REMA is in excellent agreement with the results of simulations and experiments of near-ideal diamond lattice gels

Evidence for anisotropic polar nanoregions in relaxor Pb(Mg1/3Nb2/3)O3: A neutron study of the elastic constants and anomalous TA phonon damping in PMN

Science.gov (United States)

Stock, C.; Gehring, P. M.; Hiraka, H.; Swainson, I.; Xu, Guangyong; Ye, Z.-G.; Luo, H.; Li, J.-F.; Viehland, D.

2012-09-01

We use neutron inelastic scattering to characterize the acoustic phonons in the relaxor Pb(Mg1/3Nb2/3)O3 (PMN) and demonstrate the presence of a highly anisotropic damping mechanism that is directly related to short-range polar correlations. For a large range of temperatures above Tc˜210 K, where dynamic, short-range polar correlations are present, acoustic phonons propagating along [11¯0] and polarized along [110] (TA2 phonons) are overdamped and softened across most of the Brillouin zone. By contrast, acoustic phonons propagating along [100] and polarized along [001] (TA1 phonons) are overdamped and softened for a more limited range of wave vectors q. The anisotropy and temperature dependence of the acoustic phonon energy linewidth Γ are directly correlated with neutron diffuse scattering cross section, indicating that polar nanoregions are the cause of the anomalous behavior. The damping and softening vanish for q→0, i.e., for long-wavelength acoustic phonons near the zone center, which supports the notion that the anomalous damping is a result of the coupling between the relaxational component of the diffuse scattering and the harmonic TA phonons. Therefore, these effects are not due to large changes in the elastic constants with temperature because the elastic constants correspond to the long-wavelength limit. We compare the elastic constants we measure to those from Brillouin scattering experiments and to values reported for pure PbTiO3. We show that while the values of C44 are quite similar, those for C11 and C12 are significantly less in PMN and result in a softening of (C11-C12) over PbTiO3. The elastic constants also show an increased elastic anisotropy [2C44/(C11-C12)] in PMN versus that in PbTiO3. These results are suggestive of an instability to TA2 acoustic fluctuations in PMN and other relaxor ferroelectrics. We discuss our results in the context of the current debate over the “waterfall” effect and show that they are inconsistent with

Dynamics and elastic interactions of the discrete multi-dark soliton solutions for the Kaup-Newell lattice equation

Science.gov (United States)

Liu, Nan; Wen, Xiao-Yong

2018-03-01

Under consideration in this paper is the Kaup-Newell (KN) lattice equation which is an integrable discretization of the KN equation. Infinitely, many conservation laws and discrete N-fold Darboux transformation (DT) for this system are constructed and established based on its Lax representation. Via the resulting N-fold DT, the discrete multi-dark soliton solutions in terms of determinants are derived from non-vanishing background. Propagation and elastic interaction structures of such solitons are shown graphically. Overtaking interaction phenomena between/among the two, three and four solitons are discussed. Numerical simulations are used to explore their dynamical behaviors of such multi-dark solitons. Numerical results show that their evolutions are stable against a small noise. Results in this paper might be helpful for understanding the propagation of nonlinear Alfvén waves in plasmas.

Hadronic corrections to electroweak observables from twisted mass lattice QCD

International Nuclear Information System (INIS)

Pientka, Grit

2015-01-01

For several benchmark quantities investigated to detect signs for new physics beyond the standard model of elementary particle physics, lattice QCD currently constitutes the only ab initio approach available at small momentum transfers for the computation of non-perturbative hadronic contributions. Among those observables are the lepton anomalous magnetic moments and the running of the electroweak coupling constants. We compute the leading QCD contribution to the muon anomalous magnetic moment by performing lattice QCD calculations on ensembles incorporating N f =2+1+1 dynamical twisted mass fermions. Considering active up, down, strange, and charm quarks, admits for the first time a direct comparison of the lattice data for the muon anomaly with phenomenological results because both the latter as well as the experimentally obtained values are sensitive to the complete first two generations of quarks at the current level of precision. Recently, it has been noted that improved measurements of the electron and tau anomalous magnetic moments might also provide ways of detecting new physics contributions. Therefore, we also compute their leading QCD contributions, which simultaneously serve as cross-checks of the value obtained for the muon. Additionally, we utilise the obtained data to compute the leading hadronic contribution to the running of the fine structure constant, which enters all perturbative QED calculations. Furthermore, we show that even for the weak mixing angle the leading QCD contribution can be computed from this data. In this way, we identify a new prime observable in the search for new physics whose hadronic contributions can be obtained from lattice QCD. With the results obtained in this thesis, we are able to exclude unsuitable phenomenologically necessary flavour separations and thus directly assist the presently more precise phenomenological determinations of this eminent quantity.

Supersymmetry on a euclidean spacetime lattice 1. A target theory with four supercharges

International Nuclear Information System (INIS)

Cohen, Andrew G.; Kaplan, David B.; Katz, Emanuel; Uensal, Mithat

2003-01-01

We formulate a euclidean spacetime lattice whose continuum limit is (2,2) supersymmetric Yang-Mills theory in two dimensions, a theory which possesses four supercharges and an anomalous global chiral symmetry. The lattice action respects one exact supersymmetry, which allows the target theory to emerge in the continuum limit without fine-tuning. Our method exploits an orbifold construction described previously for spatial lattices in Minkowski space, and can be generalized to more complicated theories with additional supersymmetry and more spacetime dimensions. (author)

Leading-order hadronic contributions to the electron and tau anomalous magnetic moments

International Nuclear Information System (INIS)

Burger, Florian; Hotzel, Grit

2015-01-01

The leading hadronic contributions to the anomalous magnetic moments of the electron and the τ-lepton are determined by a four-flavour lattice QCD computation with twisted mass fermions. The continuum limit is taken and systematic uncertainties are quantified. Full agreement with results obtained by phenomenological analyses is found.

Anomalous dimensions of spin-zero four-quark operators without derivatives

International Nuclear Information System (INIS)

Jamin, M.; Kremer, M.

1986-01-01

The anomalous dimensions of local spin-zero four-quark operators without derivatives are calculated for the case of three flavours. We also give the result in the approximation that no flavour mixing occurs, because this may be relevant for lattice calculations of four-quark condensates in the quenched approximation. We demonstrate the influence of the operator mixing in a specific example. (orig.)

Modeling elastic anisotropy in strained heteroepitaxy.

Science.gov (United States)

Dixit, Gopal Krishna; Ranganathan, Madhav

2017-09-20

Using a continuum evolution equation, we model the growth and evolution of quantum dots in the heteroepitaxial Ge on Si(0 0 1) system in a molecular beam epitaxy unit. We formulate our model in terms of evolution due to deposition, and due to surface diffusion which is governed by a free energy. This free energy has contributions from surface energy, curvature, wetting effects and elastic energy due to lattice mismatch between the film and the substrate. In addition to anisotropy due to surface energy which favors facet formation, we also incorporate elastic anisotropy due to an underlying crystal lattice. The complicated elastic problem of the film-substrate system subjected to boundary conditions at the free surface, interface and the bulk substrate is solved by perturbation analysis using a small slope approximation. This permits an analysis of effects at different orders in the slope and sheds new light on the observed behavior. Linear stability analysis shows the early evolution of the instability towards dot formation. The elastic anisotropy causes a change in the alignment of dots in the linear regime, whereas the surface energy anisotropy changes the dot shapes at the nonlinear regime. Numerical simulation of the full nonlinear equations shows the evolution of the surface morphology. In particular, we show, for parameters of the [Formula: see text] [Formula: see text] on Si(0 0 1), the surface energy anisotropy dominates the shapes of the quantum dots, whereas their alignment is influenced by the elastic energy anisotropy. The anisotropy in elasticity causes a further elongation of the islands whose coarsening is interrupted due to [Formula: see text] facets on the surface.

Modeling elastic anisotropy in strained heteroepitaxy

Science.gov (United States)

Krishna Dixit, Gopal; Ranganathan, Madhav

2017-09-01

Using a continuum evolution equation, we model the growth and evolution of quantum dots in the heteroepitaxial Ge on Si(0 0 1) system in a molecular beam epitaxy unit. We formulate our model in terms of evolution due to deposition, and due to surface diffusion which is governed by a free energy. This free energy has contributions from surface energy, curvature, wetting effects and elastic energy due to lattice mismatch between the film and the substrate. In addition to anisotropy due to surface energy which favors facet formation, we also incorporate elastic anisotropy due to an underlying crystal lattice. The complicated elastic problem of the film-substrate system subjected to boundary conditions at the free surface, interface and the bulk substrate is solved by perturbation analysis using a small slope approximation. This permits an analysis of effects at different orders in the slope and sheds new light on the observed behavior. Linear stability analysis shows the early evolution of the instability towards dot formation. The elastic anisotropy causes a change in the alignment of dots in the linear regime, whereas the surface energy anisotropy changes the dot shapes at the nonlinear regime. Numerical simulation of the full nonlinear equations shows the evolution of the surface morphology. In particular, we show, for parameters of the Ge0.25 Si0.75 on Si(0 0 1), the surface energy anisotropy dominates the shapes of the quantum dots, whereas their alignment is influenced by the elastic energy anisotropy. The anisotropy in elasticity causes a further elongation of the islands whose coarsening is interrupted due to facets on the surface.

Lattice strain evolution in IMI 834 under applied stress

International Nuclear Information System (INIS)

Daymond, Mark R.; Bonner, Neil W.

2003-01-01

The effect of elastic and plastic anisotropy on the evolution of lattice strains in the titanium alloy IMI834 has been examined during a uniaxial tensile test, by in situ monitoring on the Engin instrument at the ISIS pulsed neutron source. Measurements were made at load during an incremental loading test. The data is analysed in the light of the requirements for engineering residual stress scanning measurements performed at polychromatic neutron and synchrotron diffraction sources. Comparisons between the measured strains from different lattice families and the predictions from an elasto-plastic self-consistent model are made. Agreement is good in the elastic regime and for most diffraction planes in the plastic regime

Elastic Moduli of Permanently Densified Silica Glasses

Science.gov (United States)

Deschamps, T.; Margueritat, J.; Martinet, C.; Mermet, A.; Champagnon, B.

2014-01-01

Modelling the mechanical response of silica glass is still challenging, due to the lack of knowledge concerning the elastic properties of intermediate states of densification. An extensive Brillouin Light Scattering study on permanently densified silica glasses after cold compression in diamond anvil cell has been carried out, in order to deduce the elastic properties of such glasses and to provide new insights concerning the densification process. From sound velocity measurements, we derive phenomenological laws linking the elastic moduli of silica glass as a function of its densification ratio. The found elastic moduli are in excellent agreement with the sparse data extracted from literature, and we show that they do not depend on the thermodynamic path taken during densification (room temperature or heating). We also demonstrate that the longitudinal sound velocity exhibits an anomalous behavior, displaying a minimum for a densification ratio of 5%, and highlight the fact that this anomaly has to be distinguished from the compressibility anomaly of a-SiO2 in the elastic domain. PMID:25431218

Four-flavour leading hadronic contribution to the muon anomalous magnetic moment

International Nuclear Information System (INIS)

Burger, Florian; Hotzel, Grit; Jansen, Karl; Renner, Dru B.

2013-11-01

We present a four-flavour lattice calculation of the leading-order hadronic vacuum polarisation contribution to the anomalous magnetic moment of the muon, a hvp μ , arising from quark-connected Feynman graphs. It is based on ensembles featuring N f =2+1+1 dynamical twisted mass fermions generated by the European Twisted Mass Collaboration (ETMC). Several light quark masses are used in order to yield a controlled extrapolation to the physical pion mass. We employ three lattice spacings to examine lattice artefacts and several different volumes to check for finite-size effects. Including the complete first two generations of quarks allows for a direct comparison with phenomenological determinations of a hvp μ . Our final result involving an estimate of the systematic uncertainty a hvp μ =6.74(21)(18) x 10 -8 shows a good overall agreement with these computations.

Lattice misfit during ageing of a polycrystalline nickel-base superalloy

International Nuclear Information System (INIS)

Collins, D.M.; Yan, L.; Marquis, E.A.; Connor, L.D.; Ciardiello, J.J.; Evans, A.D.; Stone, H.J.

2013-01-01

The temporal evolution of the lattice parameters and lattice misfit of an advanced polycrystalline nickel-base superalloy have been studied in situ during an ageing heat treatment using synchrotron X-ray diffraction. During ageing, the γ and γ′ lattice parameters were both observed to decrease, a trend that cannot be attributed to a loss of coherency alone. Phase-extracted γ′ replicated this behaviour. Atom probe tomography was used to measure the compositional changes between the start and end of the ageing heat treatment. Using these data, a thermodynamic assessment was made using the software ThermoCalc of the structural change across the interface between γ and γ′. Subsequently, the unconstrained lattice parameters were estimated and were shown to be in good agreement with the X-ray diffraction measurements. Thus, the observed anomalous lattice misfit behaviour was concluded to be dominated by elemental exchange between the γ and γ′ phases during ageing

The lattice thermal conductivity of pure metals: Aluminium and Indium, ch. 4

International Nuclear Information System (INIS)

Lang, H.N. de

1977-01-01

The lattice conductivity of aluminium and indium has been determined by reducing the electronic thermal conductivity by means of a magnetic field. This was done using the Corbino configuration which prevents the thermal Hall field from forming, hence produces the largest magnetoresistance for a given field strength. In this way for the first time the lattice conductivity of Al and In was measured by the magnetic field method. Apart from a discussion of these results, a comprehensive and critical examination is given of the different methods to determine the lattice conductivity of metals, the phenomenon of the linear magnetoresistance, the quadratic field dependence of the MR and the anomalous lattice conductivity of Potassium as well as the phenomenon of curve crossing

Calculation of the hadronic vacuum polarization disconnected contribution to the muon anomalous magnetic moment

CERN Document Server

Blum, T.; Izubuchi, T.; Jin, L.; Jüttner, A.; Lehner, C.; Maltman, K.; Marinkovic, M.; Portelli, A.; Spraggs, M.

2016-01-01

We report the first lattice QCD calculation of the hadronic vacuum polarization disconnected contribution to the muon anomalous magnetic moment at physical pion mass. The calculation uses a refined noise-reduction technique which enabled the control of statistical uncertainties at the desired level with modest computational effort. Measurements were performed on the $48^3 \\times 96$ physical-pion-mass lattice generated by the RBC and UKQCD collaborations. We find $a_\\mu^{\\rm HVP~(LO)~DISC} = -9.6(3.3)(2.3)\\times 10^{-10}$, where the first error is statistical and the second systematic.

Collisional shifts in optical-lattice atom clocks

International Nuclear Information System (INIS)

Band, Y. B.; Vardi, A.

2006-01-01

We theoretically study the effects of elastic collisions on the determination of frequency standards via Ramsey-fringe spectroscopy in optical-lattice atom clocks. Interparticle interactions of bosonic atoms in multiply occupied lattice sites can cause a linear frequency shift, as well as generate asymmetric Ramsey-fringe patterns and reduce fringe visibility due to interparticle entanglement. We propose a method of reducing these collisional effects in an optical lattice by introducing a phase difference of π between the Ramsey driving fields in adjacent sites. This configuration suppresses site-to-site hopping due to interference of two tunneling pathways, without degrading fringe visibility. Consequently, the probability of double occupancy is reduced, leading to cancellation of collisional shifts

Anomalous band-gap bowing of AlN1−xPx alloy

International Nuclear Information System (INIS)

Winiarski, M.J.; Polak, M.; Scharoch, P.

2013-01-01

Highlights: •Structural and electronic properties of AlN 1−x P x from first principles. •The supercell and the virtual crystall approximation methods applied and compared. •Anomalously high band-gap bowing found. •Similarities of band-gap behavior to that in BN 1−x P x noticed. •Performance of MBJLDA with the pseudopotential approach discussed. -- Abstract: Electronic structure of zinc blende AlN 1−x P x alloy has been calculated from first principles. Structural optimization has been performed within the framework of LDA and the band-gaps calculated with the modified Becke–Jonson (MBJLDA) method. Two approaches have been examined: the virtual crystal approximation (VCA) and the supercell-based calculations (SC). The composition dependence of the lattice parameter obtained from the SC obeys Vegard’s law whereas the volume optimization in the VCA leads to an anomalous bowing of the lattice constant. A strong correlation between the band-gaps and the structural parameter in the VCA method has been observed. On the other hand, in the SC method the supercell size and atoms arrangement (clustered vs. uniform) appear to have a great influence on the computed band-gaps. In particular, an anomalously big band-gap bowing has been found in the case of a clustered configuration with relaxed geometry. Based on the performed tests and obtained results some general features of MBJLDA are discussed and its performance for similar systems predicted

Anomalous Refraction of Acoustic Guided Waves in Solids with Geometrically Tapered Metasurfaces.

Science.gov (United States)

Zhu, Hongfei; Semperlotti, Fabio

2016-07-15

The concept of a metasurface opens new exciting directions to engineer the refraction properties in both optical and acoustic media. Metasurfaces are typically designed by assembling arrays of subwavelength anisotropic scatterers able to mold incoming wave fronts in rather unconventional ways. The concept of a metasurface was pioneered in photonics and later extended to acoustics while its application to the propagation of elastic waves in solids is still relatively unexplored. We investigate the design of acoustic metasurfaces to control elastic guided waves in thin-walled structural elements. These engineered discontinuities enable the anomalous refraction of guided wave modes according to the generalized Snell's law. The metasurfaces are made out of locally resonant toruslike tapers enabling an accurate phase shift of the incoming wave, which ultimately affects the refraction properties. We show that anomalous refraction can be achieved on transmitted antisymmetric modes (A_{0}) either when using a symmetric (S_{0}) or antisymmetric (A_{0}) incident wave, the former clearly involving mode conversion. The same metasurface design also allows achieving structure embedded planar focal lenses and phase masks for nonparaxial propagation.

Elastic properties of Sr- and Mg-doped lanthanum gallate at elevated temperature

Science.gov (United States)

Okamura, T.; Shimizu, S.; Mogi, M.; Tanimura, M.; Furuya, K.; Munakata, F.

The elastic moduli, i.e., Young's modulus, shear modulus and Poisson's ratio, of a sintered La 0.9Sr 0.1Ga 0.8Mg 0.2O 3- δ bulk have been experimentally determined in the temperature range from room temperature to 1373 K using a resonance technique. Anomalous elastic properties were observed over a wide temperature range from 473 to 1173 K. In the results for internal friction and in X-ray diffraction measurements at elevated temperature, two varieties of structural changes were seen in La 0.9Sr 0.1Ga 0.8Mg 0.2O 3- δ in the examined temperature range. The results agreed with the findings of a previous crystallographic study of the same composition system by Slater et al. In addition, the temperature range in which a successive structural change occurred in La 0.9Sr 0.1Ga 0.8Mg 0.2O 3- δ was the same as that exhibiting the anomalous elastic properties. Taking all the results together, it can be inferred that the successive structural change in the significant temperature range is responsible for the elastic property anomaly of La 0.9Sr 0.1Ga 0.8Mg 0.2O 3- δ.

Influence of temperature on elastic properties of caesium cyanide

International Nuclear Information System (INIS)

Singh, Preeti; Gaur, N.K.; Singh, R.K.

2007-01-01

An extended three body force shell model (ETSM), which incorporates the effects of translational-rotational (TR) coupling, three body interactions (TBI) and anharmonicity, has been applied to investigate the temperature dependence of the second order elastic constants (c ij , i,j=1,2) of CsCN. The elastic constant c 44 obtained by us shows an anomalous behaviour with the variation of temperature. The variations of elastic constants (c 11 , c 12 , c 44 ) with temperature are almost in excellent agreement with Brillouin scattering measured data. We have also evaluated the temperature variations of the third order elastic constants (c ijk ) and the pressure derivatives of the c ij in the CsCN material. However, their values could not be compared due to lack of experimental data. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Femtosecond visualization of lattice dynamics in shock-compressed matter.

Science.gov (United States)

Milathianaki, D; Boutet, S; Williams, G J; Higginbotham, A; Ratner, D; Gleason, A E; Messerschmidt, M; Seibert, M M; Swift, D C; Hering, P; Robinson, J; White, W E; Wark, J S

2013-10-11

The ultrafast evolution of microstructure is key to understanding high-pressure and strain-rate phenomena. However, the visualization of lattice dynamics at scales commensurate with those of atomistic simulations has been challenging. Here, we report femtosecond x-ray diffraction measurements unveiling the response of copper to laser shock-compression at peak normal elastic stresses of ~73 gigapascals (GPa) and strain rates of 10(9) per second. We capture the evolution of the lattice from a one-dimensional (1D) elastic to a 3D plastically relaxed state within a few tens of picoseconds, after reaching shear stresses of 18 GPa. Our in situ high-precision measurement of material strength at spatial (<1 micrometer) and temporal (<50 picoseconds) scales provides a direct comparison with multimillion-atom molecular dynamics simulations.

Four-flavour leading hadronic contribution to the muon anomalous magnetic moment

Energy Technology Data Exchange (ETDEWEB)

Burger, Florian; Hotzel, Grit [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik; Feng, Xu [KEK National High Energy Physics, Tsukuba (Japan); Jansen, Karl [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Cyprus Univ. Nicosia (Cyprus). Dept. of Physics; Petschlies, Marcus [The Cyprus Institute, Nicosia (Cyprus); Renner, Dru B. [Jefferson Lab, Newport News, VA (United States)

2013-11-15

We present a four-flavour lattice calculation of the leading-order hadronic vacuum polarisation contribution to the anomalous magnetic moment of the muon, a{sup hvp}{sub {mu}}, arising from quark-connected Feynman graphs. It is based on ensembles featuring N{sub f}=2+1+1 dynamical twisted mass fermions generated by the European Twisted Mass Collaboration (ETMC). Several light quark masses are used in order to yield a controlled extrapolation to the physical pion mass. We employ three lattice spacings to examine lattice artefacts and several different volumes to check for finite-size effects. Including the complete first two generations of quarks allows for a direct comparison with phenomenological determinations of a{sup hvp}{sub {mu}}. Our final result involving an estimate of the systematic uncertainty a{sup hvp}{sub {mu}}=6.74(21)(18) x 10{sup -8} shows a good overall agreement with these computations.

Four-flavour leading-order hadronic contribution to the muon anomalous magnetic moment

International Nuclear Information System (INIS)

Burger, Florian; Feng, Xu; Hotzel, Grit; Jansen, Karl; Petschlies, Marcus; Renner, Dru B.

2014-01-01

We present a four-flavour lattice calculation of the leading-order hadronic vacuum polarisation contribution to the anomalous magnetic moment of the muon, a μ hvp , arising from quark-connected Feynman graphs. It is based on ensembles featuring N f =2+1+1 dynamical twisted mass fermions generated by the European Twisted Mass Collaboration (ETMC). Several light quark masses are used in order to yield a controlled extrapolation to the physical pion mass. We employ three lattice spacings to examine lattice artefacts and several different volumes to check for finite-size effects. Incorporating the complete first two generations of quarks allows for a direct comparison with phenomenological determinations of a μ hvp . Our final result including an estimate of the systematic uncertainty a μ hvp =6.74(21)(18)⋅10 −8 shows a good overall agreement with these computations

Tunable modulation of refracted lamb wave front facilitated by adaptive elastic metasurfaces

Science.gov (United States)

Li, Shilong; Xu, Jiawen; Tang, J.

2018-01-01

This letter reports designs of adaptive metasurfaces capable of modulating incoming wave fronts of elastic waves through electromechanical-tuning of their cells. The proposed elastic metasurfaces are composed of arrayed piezoelectric units with individually connected negative capacitance elements that are online tunable. By adjusting the negative capacitances properly, accurately formed, discontinuous phase profiles along the elastic metasurfaces can be achieved. Subsequently, anomalous refraction with various angles can be realized on the transmitted lowest asymmetric mode Lamb wave. Moreover, designs to facilitate planar focal lenses and source illusion devices can also be accomplished. The proposed flexible and versatile strategy to manipulate elastic waves has potential applications ranging from structural fault detection to vibration/noise control.

Anomalous elastic response of silicon to uniaxial shock compression on nanosecond time scales.

Science.gov (United States)

Loveridge-Smith, A; Allen, A; Belak, J; Boehly, T; Hauer, A; Holian, B; Kalantar, D; Kyrala, G; Lee, R W; Lomdahl, P; Meyers, M A; Paisley, D; Pollaine, S; Remington, B; Swift, D C; Weber, S; Wark, J S

2001-03-12

We have used x-ray diffraction with subnanosecond temporal resolution to measure the lattice parameters of orthogonal planes in shock compressed single crystals of silicon (Si) and copper (Cu). Despite uniaxial compression along the (400) direction of Si reducing the lattice spacing by nearly 11%, no observable changes occur in planes with normals orthogonal to the shock propagation direction. In contrast, shocked Cu shows prompt hydrostaticlike compression. These results are consistent with simple estimates of plastic strain rates based on dislocation velocity data.

A precise determination of the psibar-psi anomalous dimension in conformal gauge theories

CERN Document Server

Patella, Agostino

2012-01-01

A strategy for computing the psibar-psi anomalous dimension at the fixed point in infrared-conformal gauge theories from lattice simulations is discussed. The method is based on the scaling of the spectral density of the Dirac operator or rather its integral, the mode number. It is relatively cheap, mainly for two reasons: (a) the mode number can be determined with quite high accuracy, (b) the psibar-psi anomalous dimension is extracted from a fit of several observables on the same set of configurations (no scaling in the Lagrangian parameters is needed). As an example the psibar-psi anomalous dimension has been computed in the SU(2) theory with 2 Dirac fermions in the adjoint representation of the gauge group, and has been found to be 0.371(20). In this particular case, the proposed strategy has proved to be very robust and effective.

Leading-order hadronic contributions to the electron and tau anomalous magnetic moments

Energy Technology Data Exchange (ETDEWEB)

Burger, Florian; Pientka, Grit [Humboldt-Universitaet zu Berlin, Institut fuer Physik, Berlin (Germany); Jansen, Karl [NIC, DESY, Zeuthen (Germany); Petschlies, Marcus [The Cyprus Institute, P.O.Box 27456, Nicosia (Cyprus); Rheinische Friedrich-Wilhelms-Universitaet Bonn, Institut fuer Strahlen- und Kernphysik, Bonn (Germany)

2016-08-15

The leading hadronic contributions to the anomalous magnetic moments of the electron and the τ-lepton are determined by a four-flavour lattice QCD computation with twisted mass fermions. The results presented are based on the quark-connected contribution to the hadronic vacuum polarisation function. The continuum limit is taken and systematic uncertainties are quantified. Full agreement with results obtained by phenomenological analyses is found. (orig.)

Anomalous Lorentz and CPT violation

Science.gov (United States)

Klinkhamer, F. R.

2018-01-01

If there exists Lorentz and CPT violation in nature, then it is crucial to discover and understand the underlying mechanism. In this contribution, we discuss one such mechanism which relies on four-dimensional chiral gauge theories defined over a spacetime manifold with topology ℛ3 × S 1 and periodic spin structure for the compact dimension. It can be shown that the effective gauge-field action contains a local Chern-Simons-like term which violates Lorentz and CPT invariance. For arbitrary Abelian U(1) gauge fields with trivial holonomies in the compact direction, this anomalous Lorentz and CPT violation has recently been established perturbatively with a Pauli-Villars-type regularization and nonperturbatively with a lattice regularization based on Ginsparg-Wilson fermions.

Calculation of the Hadronic Vacuum Polarization Disconnected Contribution to the Muon Anomalous Magnetic Moment.

Science.gov (United States)

Blum, T; Boyle, P A; Izubuchi, T; Jin, L; Jüttner, A; Lehner, C; Maltman, K; Marinkovic, M; Portelli, A; Spraggs, M

2016-06-10

We report the first lattice QCD calculation of the hadronic vacuum polarization (HVP) disconnected contribution to the muon anomalous magnetic moment at physical pion mass. The calculation uses a refined noise-reduction technique that enables the control of statistical uncertainties at the desired level with modest computational effort. Measurements were performed on the 48^{3}×96 physical-pion-mass lattice generated by the RBC and UKQCD Collaborations. We find the leading-order hadronic vacuum polarization a_{μ}^{HVP(LO)disc}=-9.6(3.3)(2.3)×10^{-10}, where the first error is statistical and the second systematic.

Calculation of the Hadronic Vacuum Polarization Disconnected Contribution to the Muon Anomalous Magnetic Moment

Science.gov (United States)

Blum, T.; Boyle, P. A.; Izubuchi, T.; Jin, L.; Jüttner, A.; Lehner, C.; Maltman, K.; Marinkovic, M.; Portelli, A.; Spraggs, M.; Rbc; Ukqcd Collaborations

2016-06-01

We report the first lattice QCD calculation of the hadronic vacuum polarization (HVP) disconnected contribution to the muon anomalous magnetic moment at physical pion mass. The calculation uses a refined noise-reduction technique that enables the control of statistical uncertainties at the desired level with modest computational effort. Measurements were performed on the 483×96 physical-pion-mass lattice generated by the RBC and UKQCD Collaborations. We find the leading-order hadronic vacuum polarization aμHVP (LO )disc=-9.6 (3.3 )(2.3 )×10-10 , where the first error is statistical and the second systematic.

The distribution of copper in stream sediments in an anomalous stream near Steinkopf, Namaqualand

International Nuclear Information System (INIS)

De Bruin, D.

1987-01-01

Anomalous copper concentrations detected by the regional stream-sediment programme of the Geological Survey was investigated in a stream near Steinkopf, Namaqualand. A follow-up disclosed the presence of malachite mineralization. However, additional stream-sediment samples collected from the 'anomalous' stream revealed an erratic distribution of copper and also that the malachite mineralization had no direct effect on the copper distribution in the stream sediments. Low partial-extraction yields, together with X-ray diffraction analyses, indicated that dispersion is mainly mechanical and that the copper occurs as cations in the lattice of the biotite fraction of the stream sediments. (author). 8 refs., 5 figs., 1 tab

The distribution of copper in stream sediments in an anomalous stream near Steinkopf, Namaqualand

Energy Technology Data Exchange (ETDEWEB)

De Bruin, D

1987-01-01

Anomalous copper concentrations detected by the regional stream-sediment programme of the Geological Survey was investigated in a stream near Steinkopf, Namaqualand. A follow-up disclosed the presence of malachite mineralization. However, additional stream-sediment samples collected from the 'anomalous' stream revealed an erratic distribution of copper and also that the malachite mineralization had no direct effect on the copper distribution in the stream sediments. Low partial-extraction yields, together with X-ray diffraction analyses, indicated that dispersion is mainly mechanical and that the copper occurs as cations in the lattice of the biotite fraction of the stream sediments. (author). 8 refs., 5 figs., 1 tab.

Quark mass anomalous dimension from the twisted mass Dirac operator spectrum

Energy Technology Data Exchange (ETDEWEB)

Cichy, Krzysztof [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Poznan Univ. (Poland). Faculty of Physics

2013-12-15

We investigate whether it is possible to extract the quark mass anomalous dimension and its scale dependence from the spectrum of the twisted mass Dirac operator in Lattice QCD. The answer to this question appears to be positive, provided that one goes to large enough eigenvalues, sufficiently above the non-perturbative regime. The obtained results are compared to continuum perturbation theory. By analyzing possible sources of systematic effects, we find the domain of applicability of the approach, extending from an energy scale of around 1.5 to 4 GeV. The lower limit is dictated by physics (non-perturbative effects at low energies), while the upper bound is set by the ultraviolet cut-off of present-day lattice simulations. We use gauge field configuration ensembles generated by the European Twisted Mass Collaboration (ETMC) with 2 flavours of dynamical twisted mass quarks, at 4 lattice spacings in the range between around 0.04 and 0.08 fm.

Quark mass anomalous dimension from the twisted mass Dirac operator spectrum

International Nuclear Information System (INIS)

Cichy, Krzysztof; Poznan Univ.

2013-12-01

We investigate whether it is possible to extract the quark mass anomalous dimension and its scale dependence from the spectrum of the twisted mass Dirac operator in Lattice QCD. The answer to this question appears to be positive, provided that one goes to large enough eigenvalues, sufficiently above the non-perturbative regime. The obtained results are compared to continuum perturbation theory. By analyzing possible sources of systematic effects, we find the domain of applicability of the approach, extending from an energy scale of around 1.5 to 4 GeV. The lower limit is dictated by physics (non-perturbative effects at low energies), while the upper bound is set by the ultraviolet cut-off of present-day lattice simulations. We use gauge field configuration ensembles generated by the European Twisted Mass Collaboration (ETMC) with 2 flavours of dynamical twisted mass quarks, at 4 lattice spacings in the range between around 0.04 and 0.08 fm.

Four-flavour leading-order hadronic contribution to the muon anomalous magnetic moment

Energy Technology Data Exchange (ETDEWEB)

Burger, Florian [Humboldt-Universität zu Berlin, Institut für Physik,Newtonstr. 15, D-12489 Berlin (Germany); Feng, Xu [High Energy Accelerator Research Organization (KEK),Tsukuba 305-0801 (Japan); Hotzel, Grit [Humboldt-Universität zu Berlin, Institut für Physik,Newtonstr. 15, D-12489 Berlin (Germany); Jansen, Karl [NIC, DESY,Platanenallee 6, D-15738 Zeuthen (Germany); Department of Physics, University of Cyprus,P.O.Box 20537, 1678 Nicosia (Cyprus); Petschlies, Marcus [The Cyprus Institute,P.O.Box 27456, 1645 Nicosia (Cyprus); Renner, Dru B. [Jefferson Lab,12000 Jefferson Avenue, Newport News, VA 23606 (United States); Collaboration: The ETM Collaboration

2014-02-24

We present a four-flavour lattice calculation of the leading-order hadronic vacuum polarisation contribution to the anomalous magnetic moment of the muon, a{sub μ}{sup hvp}, arising from quark-connected Feynman graphs. It is based on ensembles featuring N{sub f}=2+1+1 dynamical twisted mass fermions generated by the European Twisted Mass Collaboration (ETMC). Several light quark masses are used in order to yield a controlled extrapolation to the physical pion mass. We employ three lattice spacings to examine lattice artefacts and several different volumes to check for finite-size effects. Incorporating the complete first two generations of quarks allows for a direct comparison with phenomenological determinations of a{sub μ}{sup hvp}. Our final result including an estimate of the systematic uncertainty a{sub μ}{sup hvp}=6.74(21)(18)⋅10{sup −8} shows a good overall agreement with these computations.

Leading-order hadronic contribution to g-2 from lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Renner, Dru B.; Jansen, Karl [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Feng, Xu [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Muenster Univ. (Germany). Inst. fuer Theoretische Physik; Petschlies, Marcus [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik

2011-03-15

We calculate the leading-order hadronic correction to the anomalous magnetic moments of each of the three charged leptons in the Standard Model: the electron, muon and tau. Working in two-flavor lattice QCD, we address essentially all sources of systematic error: lattice artifacts, finite-size effects, quark-mass extrapolation, momentum extrapolation and disconnected diagrams. The most significant remaining systematic error, the exclusion of the strange and charm quark contributions, is addressed in our four-flavor calculation. We achieve a statistical accuracy of 2% or better for the physical values for each of the three leptons and the systematic errors are at most comparable. (orig.)

Anomalous plastic flow of cerium near the isomorphic phase transformations under high hydrostatic pressure

International Nuclear Information System (INIS)

Witczak, Z.; Goncharova, V.A.

1999-01-01

Compression tests have been carried out on cerium specimens at room temperature (0.27 T m ) under high hydrostatic pressures up to 1.2 GPa. A strong increase of the yield strength was observed for both isomorphic γ and α phases at pressures approaching the γ ↔ α isomorphic phase transformations. That increase was in good agreement with the theory of dislocations when the dependence of elastic properties and a lattice parameter of cerium on pressure was applied to calculate the effect of pressure on the yield stress controlled by the edge dislocations. An anomalous strong decrease of the yield stress was observed in both γ and α phases in the vicinity of both γ ↔ α phase transformations. That phenomenon was explained as an effect of pressure induced new phase atoms through spreading the cores of edge dislocations. A complete disappearance of work hardening in both γ and α phases was also observed in the wide range of pressures. The influence of hydrostatic pressure on the energy of grain boundaries of both phases was considered to be responsible for that property. The ratio of the grain boundary energy to the Peierls energy is suggested to be a criterion of the work hardening ability of f.c.c. polycrystals

Birefringence and incipient plastic deformation in elastically overdriven [100] CaF2 under shock compression

Science.gov (United States)

Li, Y.; Zhou, X. M.; Cai, Y.; Liu, C. L.; Luo, S. N.

2018-04-01

[100] CaF2 single crystals are shock-compressed via symmetric planar impact, and the flyer plate-target interface velocity histories are measured with a laser displacement interferometry. The shock loading is slightly above the Hugoniot elastic limit to investigate incipient plasticity and its kinetics, and its effects on optical properties and deformation inhomogeneity. Fringe patterns demonstrate different features in modulation of fringe amplitude, including birefringence and complicated modulations. The birefringence is attributed to local lattice rotation accompanying incipient plasticity. Spatially resolved measurements show inhomogeneity in deformation, birefringence, and fringe pattern evolutions, most likely caused by the inhomogeneity associated with lattice rotation and dislocation slip. Transiently overdriven elastic states are observed, and the incubation time for incipient plasticity decreases inversely with increasing overdrive by the elastic shock.

Effects of microstructure on the elastic properties of selected Ta2O5--Eu2O3 compositions

International Nuclear Information System (INIS)

Malarkey, C.J.

1977-06-01

Elastic properties and internal friction of selected compositions of tantala-doped monoclinic europia were studied at temperatures up to 1500 0 C using the sonic resonance technique. Unit cell parameters between 25C and 1000 0 C for monoclinic Eu 2 O 3 were calculated from high temperature x-ray diffractometer data. Large-grained monoclinic specimens having less than 6.0 Ta cation percent substitution exhibited anomalous elastic behavior when thermally cycled. Compositions above this addition level exhibited linear elastic behavior. Internal friction values also varied abnormally with grain size, composition, and temperature. The anomalous behavior was attributed to microcracking caused by thermal expansion anisotropies. The critical grain size was found to be approximately 14 μm. The high temperature diffractometry measurements supported the postulate that the grain coarsening effect associated with sintered monoclinic Eu 2 O 3 is the controlling factor for microcracking

Two-velocity elasticity theory and facet growth

OpenAIRE

Andreev, A. F.; Melnikovsky, L. A.

2002-01-01

We explain the linear growth of smooth solid helium facets by the presence of lattice point defects. To implement this task, the framework of very general two-velocity elasticity theory equations is developed. Boundary conditions for these equations for various surface types are derived. We also suggest additional experiments to justify the concept.

Temperature-dependent elastic properties of Ti{sub 1−x}Al{sub x}N alloys

Energy Technology Data Exchange (ETDEWEB)

Shulumba, Nina [Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Functional Materials, Saarland University, D-66123 Saarbrücken (Germany); Hellman, Olle [Division of Engineering and Applied Science, California Institute of Technology, Pasadena, California 91125 (United States); Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Rogström, Lina; Raza, Zamaan; Tasnádi, Ferenc; Odén, Magnus [Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Abrikosov, Igor A. [Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Materials Modeling and Development Laboratory, NUST “MISIS,” 119049 Moscow (Russian Federation); LACOMAS Laboratory, Tomsk State University, 634050 Tomsk (Russian Federation)

2015-12-07

Ti{sub 1−x}Al{sub x}N is a technologically important alloy that undergoes a process of high temperature age-hardening that is strongly influenced by its elastic properties. We have performed first principles calculations of the elastic constants and anisotropy using the symmetry imposed force constant temperature dependent effective potential method, which include lattice vibrations and therefore the effects of temperature, including thermal expansion and intrinsic anharmonicity. These are compared with in situ high temperature x-ray diffraction measurements of the lattice parameter. We show that anharmonic effects are crucial to the recovery of finite temperature elasticity. The effects of thermal expansion and intrinsic anharmonicity on the elastic constants are of the same order, and cannot be considered separately. Furthermore, the effect of thermal expansion on elastic constants is such that the volume change induced by zero point motion has a significant effect. For TiAlN, the elastic constants soften non-uniformly with temperature: C{sub 11} decreases substantially when the temperature increases for all compositions, resulting in an increased anisotropy. These findings suggest that an increased Al content and annealing at higher temperatures will result in a harder alloy.

Wave Propagation in Finite Element and Mass-Spring-Dashpot Lattice Models

National Research Council Canada - National Science Library

Holt-Phoenix, Marianne S

2006-01-01

...), and a mass-spring-dashpot lattice model (MSDLM) are investigated. Specifically, the error in the ultrasonic phase speed with variations in Poisson's ratio and angle of incidence is evaluated in each model of an isotropic elastic solid...

Experimental demonstration of anomalous Floquet topological insulator for sound

Science.gov (United States)

Peng, Yu-Gui; Qin, Cheng-Zhi; Zhao, De-Gang; Shen, Ya-Xi; Xu, Xiang-Yuan; Bao, Ming; Jia, Han; Zhu, Xue-Feng

2016-11-01

Time-reversal invariant topological insulator is widely recognized as one of the fundamental discoveries in condensed matter physics, for which the most fascinating hallmark is perhaps a spin-based topological protection, the absence of scattering of conduction electrons with certain spins on matter surface. Recently, it has created a paradigm shift for topological insulators, from electronics to photonics, phononics and mechanics as well, bringing about not only involved new physics but also potential applications in robust wave transport. Despite the growing interests in topologically protected acoustic wave transport, T-invariant acoustic topological insulator has not yet been achieved. Here we report experimental demonstration of anomalous Floquet topological insulator for sound: a strongly coupled metamaterial ring lattice that supports one-way propagation of pseudo-spin-dependent edge states under T-symmetry. We also demonstrate the formation of pseudo-spin-dependent interface states due to lattice dislocations and investigate the properties of pass band and band gap states.

Temperature dependence of grain boundary free energy and elastic constants

International Nuclear Information System (INIS)

Foiles, Stephen M.

2010-01-01

This work explores the suggestion that the temperature dependence of the grain boundary free energy can be estimated from the temperature dependence of the elastic constants. The temperature-dependent elastic constants and free energy of a symmetric Σ79 tilt boundary are computed for an embedded atom method model of Ni. The grain boundary free energy scales with the product of the shear modulus times the lattice constant for temperatures up to about 0.75 the melting temperature.

Evaluating variability with atomistic simulations: the effect of potential and calculation methodology on the modeling of lattice and elastic constants

Science.gov (United States)

Hale, Lucas M.; Trautt, Zachary T.; Becker, Chandler A.

2018-07-01

Atomistic simulations using classical interatomic potentials are powerful investigative tools linking atomic structures to dynamic properties and behaviors. It is well known that different interatomic potentials produce different results, thus making it necessary to characterize potentials based on how they predict basic properties. Doing so makes it possible to compare existing interatomic models in order to select those best suited for specific use cases, and to identify any limitations of the models that may lead to unrealistic responses. While the methods for obtaining many of these properties are often thought of as simple calculations, there are many underlying aspects that can lead to variability in the reported property values. For instance, multiple methods may exist for computing the same property and values may be sensitive to certain simulation parameters. Here, we introduce a new high-throughput computational framework that encodes various simulation methodologies as Python calculation scripts. Three distinct methods for evaluating the lattice and elastic constants of bulk crystal structures are implemented and used to evaluate the properties across 120 interatomic potentials, 18 crystal prototypes, and all possible combinations of unique lattice site and elemental model pairings. Analysis of the results reveals which potentials and crystal prototypes are sensitive to the calculation methods and parameters, and it assists with the verification of potentials, methods, and molecular dynamics software. The results, calculation scripts, and computational infrastructure are self-contained and openly available to support researchers in performing meaningful simulations.

Anomalous properties of PrBa2Cu3O7: a comment

International Nuclear Information System (INIS)

Sampathkumaran, E.V.

1992-01-01

Considerable attention has been paid in the literature to understand the suppression of superconductivity and the large Neel temperature of the Pr sub-lattice in PrBa 2 Cu 3 O 7 . Here we briefly recall the superconducting and magnetic anomalies noted earlier in other Pr based systems due to the partial delocalisation of the Pr-4f orbital to show that the gross anomalous features observed for PrBa 2 Cu 4 O 7 are not unique. (orig.)

Anomalous low-temperature desorption from preirradiated rare gas solids

International Nuclear Information System (INIS)

Savchenko, E.V.; Gumenchuk, G.B.; Yurtaeva, E.M.; Belov, A.G.; Khyzhniy, I.V.; Frankowski, M.; Beyer, M.K.; Smith-Gicklhorn, A.M.; Ponomaryov, A.N.; Bondybey, V.E.

2005-01-01

The role for the exciton-induced defects in the stimulation of anomalous low-temperature desorption of the own lattice atoms from solid Ar and Ne preirradiated by an electron beam is studied. The free electrons from shallow traps-structural defects-was monitored by the measurements of a yield of the thermally induced exoelectron emission (TSEE). The reaction of recombination of self-trapped holes with electrons is considered as a source of energy needed for the desorption of atoms from the surface of preirradiated solids. A key part of the exciton-induced defects in the phenomenon observed is demonstrated

HPC CLOUD APPLIED TO LATTICE OPTIMIZATION

Energy Technology Data Exchange (ETDEWEB)

Sun, Changchun; Nishimura, Hiroshi; James, Susan; Song, Kai; Muriki, Krishna; Qin, Yong

2011-03-18

As Cloud services gain in popularity for enterprise use, vendors are now turning their focus towards providing cloud services suitable for scientific computing. Recently, Amazon Elastic Compute Cloud (EC2) introduced the new Cluster Compute Instances (CCI), a new instance type specifically designed for High Performance Computing (HPC) applications. At Berkeley Lab, the physicists at the Advanced Light Source (ALS) have been running Lattice Optimization on a local cluster, but the queue wait time and the flexibility to request compute resources when needed are not ideal for rapid development work. To explore alternatives, for the first time we investigate running the Lattice Optimization application on Amazon's new CCI to demonstrate the feasibility and trade-offs of using public cloud services for science.

HPC Cloud Applied To Lattice Optimization

International Nuclear Information System (INIS)

Sun, Changchun; Nishimura, Hiroshi; James, Susan; Song, Kai; Muriki, Krishna; Qin, Yong

2011-01-01

As Cloud services gain in popularity for enterprise use, vendors are now turning their focus towards providing cloud services suitable for scientific computing. Recently, Amazon Elastic Compute Cloud (EC2) introduced the new Cluster Compute Instances (CCI), a new instance type specifically designed for High Performance Computing (HPC) applications. At Berkeley Lab, the physicists at the Advanced Light Source (ALS) have been running Lattice Optimization on a local cluster, but the queue wait time and the flexibility to request compute resources when needed are not ideal for rapid development work. To explore alternatives, for the first time we investigate running the Lattice Optimization application on Amazon's new CCI to demonstrate the feasibility and trade-offs of using public cloud services for science.

Anomalous Nernst effect in type-II Weyl semimetals

Science.gov (United States)

Saha, Subhodip; Tewari, Sumanta

2018-01-01

Topological Weyl semimetals (WSM), a new state of quantum matter with gapless nodal bulk spectrum and open Fermi arc surface states, have recently sparked enormous interest in condensed matter physics. Based on the symmetry and fermiology, it has been proposed that WSMs can be broadly classified into two types, type-I and type-II Weyl semimetals. While the undoped, conventional, type-I WSMs have point like Fermi surface and vanishing density of states (DOS) at the Fermi energy, the type-II Weyl semimetals break Lorentz symmetry explicitly and have tilted conical spectra with electron and hole pockets producing finite DOS at the Fermi level. The tilted conical spectrum and finite DOS at Fermi level in type-II WSMs have recently been shown to produce interesting effects such as a chiral anomaly induced longitudinal magnetoresistance that is strongly anisotropic in direction and a novel anomalous Hall effect. In this work, we consider the anomalous Nernst effect in type-II WSMs in the absence of an external magnetic field using the framework of semi-classical Boltzmann theory. Based on both a linearized model of time-reversal breaking WSM with a higher energy cut-off and a more realistic lattice model, we show that the anomalous Nernst response in these systems is strongly anisotropic in space, and can serve as a reliable signature of type-II Weyl semimetals in a host of magnetic systems with spontaneously broken time reversal symmetry.

Elastic and transport properties of topological semimetal ZrTe

Science.gov (United States)

Guo, San-Dong; Wang, Yue-Hua; Lu, Wan-Li

2017-11-01

Topological semimetals may have substantial applications in electronics, spintronics, and quantum computation. Recently, ZrTe was predicted as a new type of topological semimetal due to the coexistence of Weyl fermions and massless triply degenerate nodal points. In this work, the elastic and transport properties of ZrTe are investigated by combining the first-principles calculations and semiclassical Boltzmann transport theory. Calculated elastic constants prove the mechanical stability of ZrTe, and the bulk modulus, shear modulus, Young’s modulus, and Poisson’s ratio also are calculated. It is found that spin-orbit coupling (SOC) has slightly enhanced effects on the Seebeck coefficient, which along the a(b) and c directions for pristine ZrTe at 300 K is 46.26 μVK-1 and 80.20 μVK-1, respectively. By comparing the experimental electrical conductivity of ZrTe (300 K) with the calculated value, the scattering time is determined as 1.59 × 10-14 s. The predicted room-temperature electronic thermal conductivity along the a(b) and c directions is 2.37 {{Wm}}-1{{{K}}}-1 and 2.90 {{Wm}}-1{{{K}}}-1, respectively. The room-temperature lattice thermal conductivity is predicted as 17.56 {{Wm}}-1{{{K}}}-1 and 43.08 {{Wm}}-1{{{K}}}-1 along the a(b) and c directions, showing very strong anisotropy. Calculated results show that isotope scattering produces an observable effect on lattice thermal conductivity. To observably reduce lattice thermal conductivity by nanostructures, the characteristic length should be smaller than 70 nm, based on cumulative lattice thermal conductivity with respect to the phonon mean free path (MFP) at 300 K. It is noted that the average room-temperature lattice thermal conductivity of ZrTe is slightly higher than that of isostructural MoP, which is due to larger phonon lifetimes and smaller Grüneisen parameters. Finally, the total thermal conductivity as a function of temperature is predicted for pristine ZrTe. Our works provide valuable

Compressive behaviour of gyroid lattice structures for human cancellous bone implant applications

International Nuclear Information System (INIS)

Yánez, A.; Herrera, A.; Martel, O.; Monopoli, D.; Afonso, H.

2016-01-01

Electron beam melting (EBM) was used to fabricate porous titanium alloy structures. The elastic modulus of these porous structures was similar to the elastic modulus of the cancellous human bone. Two types of cellular lattice structures were manufactured and tested: gyroids and diamonds. The design of the gyroid structures was determined by the main angle of the struts with respect to the axial direction. Thus, structures with angles of between 19 and 68.5° were manufactured. The aim of the design was to reduce the amount of material needed to fabricate a structure with the desired angles to increase the range of stiffness of the scaffolds. Compression tests were conducted to obtain the elastic modulus and the strength. Both parameters increased as the angle decreased. Finally, the specific strength of the gyroid structures was compared with that of the diamond structures and other types of structures. It is shown that, for angles lower than 35°, the gyroid structures had a high strength to weight ratios. - Highlights: • Gyroid and diamond lattice structures were fabricated by electron beam melting. • Compression tests were conducted to obtain the elastic modulus and the strength. • Some gyroid structures show a higher specific strength than other types of structures.

Compressive behaviour of gyroid lattice structures for human cancellous bone implant applications

Energy Technology Data Exchange (ETDEWEB)

Yánez, A., E-mail: alejandro.yanez@ulpgc.es [Department of Mechanical Engineering, University of Las Palmas de Gran Canaria (Spain); Herrera, A. [Julius Wolff Institute, Berlin (Germany); Martel, O. [Department of Mechanical Engineering, University of Las Palmas de Gran Canaria (Spain); Monopoli, D.; Afonso, H. [Department of Mechanical Engineering, Instituto Tecnológico de Canarias (Spain)

2016-11-01

Electron beam melting (EBM) was used to fabricate porous titanium alloy structures. The elastic modulus of these porous structures was similar to the elastic modulus of the cancellous human bone. Two types of cellular lattice structures were manufactured and tested: gyroids and diamonds. The design of the gyroid structures was determined by the main angle of the struts with respect to the axial direction. Thus, structures with angles of between 19 and 68.5° were manufactured. The aim of the design was to reduce the amount of material needed to fabricate a structure with the desired angles to increase the range of stiffness of the scaffolds. Compression tests were conducted to obtain the elastic modulus and the strength. Both parameters increased as the angle decreased. Finally, the specific strength of the gyroid structures was compared with that of the diamond structures and other types of structures. It is shown that, for angles lower than 35°, the gyroid structures had a high strength to weight ratios. - Highlights: • Gyroid and diamond lattice structures were fabricated by electron beam melting. • Compression tests were conducted to obtain the elastic modulus and the strength. • Some gyroid structures show a higher specific strength than other types of structures.

Giant anomalous Hall angle in a half-metallic magnetic Weyl semimetal

OpenAIRE

Liu, Enke; Sun, Yan; Müchler, Lukas; Sun, Aili; Jiao, Lin; Kroder, Johannes; Süß, Vicky; Borrmann, Horst; Wang, Wenhong; Schnelle, Walter; Wirth, Steffen; Goennenwein, Sebastian T. B.; Felser, Claudia

2017-01-01

Magnetic Weyl semimetals (WSMs) with time reversal symmetry breaking exhibit Weyl nodes that act as monopoles of Berry curvature and are thus expected to generate a large intrinsic anomalous Hall effect (AHE). However, in most magnetic WSMs, the Weyl nodes are located far from the Fermi energy, making it difficult to observe the Weyl-node dominated intrinsic AHE in experiments. Here we report a novel half-metallic magnetic WSM in the Kagome-lattice Shandite compound Co3Sn2S2. The Weyl nodes, ...

Diffraction plane dependency of elastic constants in ferritic steel in neutron stress measurement

International Nuclear Information System (INIS)

Hayashi, M.; Ishiwata, M.; Minakawa, N.; Funahashi, S.

1993-01-01

Neutron diffraction measurements have been made to investigate the elastic properties of the ferritic steel obtained from socket weld. The Kroner elastic model is found to account for the [hkl]-dependence of Young's modulus and Poisson's ratio in the material. Maps of residual stress are later to be made by measuring lattice strain from shifts in the (112) diffraction peak, for which the diffraction elastic constants the herein found to be E=243±5GPa and ν=0.28±0.01. (author)

Anomalous X-ray diffraction from self-assembled PbSe/PbEuTe quantum dots

International Nuclear Information System (INIS)

Holy, V.; Schuelli, T.U.; Lechner, R.T.; Springholz, G.; Bauer, G.

2005-01-01

Anomalous X-ray scattering from self-assembled PbSe quantum dots embedded in Pb 1-x Eu x Te was used for the study of their structure. The measured reciprocal-space distributions of diffracted intensity were compared with simulations based on kinematical scattering theory and continuum elasticity. From the comparison, the mean chemical composition of the dots and their aspect ratio (height/width) were estimated

Bootstrap bound for conformal multi-flavor QCD on lattice

Energy Technology Data Exchange (ETDEWEB)

Nakayama, Yu [Department of Physics, Rikkyo University,Toshima, Tokyo 171-8501 (Japan); Kavli Institute for the Physics and Mathematics of the Universe (WPI), University of Tokyo,5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8583 (Japan)

2016-07-08

The recent work by Iha et al. shows an upper bound on mass anomalous dimension γ{sub m} of multi-flavor massless QCD at the renormalization group fixed point from the conformal bootstrap in SU(N{sub F}){sub V} symmetric conformal field theories under the assumption that the fixed point is realizable with the lattice regularization based on staggered fermions. We show that the almost identical but slightly stronger bound applies to the regularization based on Wilson fermions (or domain wall fermions) by studying the conformal bootstrap in SU(N{sub f}){sub L}×SU(N{sub f}){sub R} symmetric conformal field theories. For N{sub f}=8, our bound implies γ{sub m}<1.31 to avoid dangerously irrelevant operators that are not compatible with the lattice symmetry.

Elastic constants from microscopic strain fluctuations

Science.gov (United States)

Sengupta; Nielaba; Rao; Binder

2000-02-01

Fluctuations of the instantaneous local Lagrangian strain epsilon(ij)(r,t), measured with respect to a static "reference" lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic computer simulations. The measured strains are systematically coarse-grained by averaging them within subsystems (of size L(b)) of a system (of total size L) in the canonical ensemble. Using a simple finite size scaling theory we predict the behavior of the fluctuations as a function of L(b)/L and extract elastic constants of the system in the thermodynamic limit at nonzero temperature. Our method is simple to implement, efficient, and general enough to be able to handle a wide class of model systems, including those with singular potentials without any essential modification. We illustrate the technique by computing isothermal elastic constants of "hard" and "soft" disk triangular solids in two dimensions from Monte Carlo and molecular dynamics simulations. We compare our results with those from earlier simulations and theory.

Asymptotic elastic energy in simple metals

International Nuclear Information System (INIS)

Khalifeh, J.M.

1983-07-01

The asymptotic form of the elastic binding energy ΔEsup(as)(R) between two Mg atoms in Al is expressed as a product of a lattice Green function and the dipole force tensor P. The quantity P is obtained by a nearly free electron model in which the impurity effect is introduced by a screened Ashcroft pseudopotential characterized by an excess charge ΔZ and a core radius rsub(j). (author)

Coupling effect of topological states and Chern insulators in two-dimensional triangular lattices

Science.gov (United States)

Zhang, Jiayong; Zhao, Bao; Xue, Yang; Zhou, Tong; Yang, Zhongqin

2018-03-01

We investigate topological states of two-dimensional (2D) triangular lattices with multiorbitals. Tight-binding model calculations of a 2D triangular lattice based on px and py orbitals exhibit very interesting doubly degenerate energy points at different positions (Γ and K /K' ) in momentum space, with quadratic non-Dirac and linear Dirac band dispersions, respectively. Counterintuitively, the system shows a global topologically trivial rather than nontrivial state with consideration of spin-orbit coupling due to the "destructive interference effect" between the topological states at the Γ and K /K' points. The topologically nontrivial state can emerge by introducing another set of triangular lattices to the system (bitriangular lattices) due to the breakdown of the interference effect. With first-principles calculations, we predict an intrinsic Chern insulating behavior (quantum anomalous Hall effect) in a family of the 2D triangular lattice metal-organic framework of Co(C21N3H15) (TPyB-Co) from this scheme. Our results provide a different path and theoretical guidance for the search for and design of new 2D topological quantum materials.

First-principles study on electronic, optic, elastic, dynamic and thermodynamic properties of RbH compound

Directory of Open Access Journals (Sweden)

Gulebaglan Sinem Erden

2015-01-01

Full Text Available We performed first-principles calculations to obtain the electronic, optical, elastic, lattice-dynamical and thermodynamic properties of RbH compound with rock salt structure. The ground-state properties, i.e., the lattice constant and the band gap were investigated using a plane wave pseudopotential method within density functional theory. The calculated lattice constant, bulk modulus, energy band gap and elastic constants are reported and compared with previous theoretical and experimental results. Our calculated results and the previous results which are obtained from literature are in a good agreement. Moreover, real and imaginary parts of complex dielectric function, reflectivity spectrum, absorption, extinction coefficient and loss function as a function of photon energy and refractive index with respect to photon wavelength were calculated. In addition, temperature dependent thermodynamic properties such as Helmholtz free energy, internal energy, entropy and specific heat have been studied.

Low-energy scattering on the lattice

International Nuclear Information System (INIS)

Bour Bour, Shahin

2014-01-01

In this thesis we present precision benchmark calculations for two-component fermions in the unitarity limit using an ab initio method, namely Hamiltonian lattice formalism. We calculate the ground state energy for unpolarized four particles (Fermi gas) in a periodic cube as a fraction of the ground state energy of the non-interacting system for two independent representations of the lattice Hamiltonians. We obtain the values 0.211(2) and 0.210(2). These results are in full agreement with the Euclidean lattice and fixed-node diffusion Monte Carlo calculations. We also give an expression for the energy corrections to the binding energy of a bound state in a moving frame. These corrections contain information about the mass and number of the constituents and are topological in origin and will have a broad applications to the lattice calculations of nucleons, nuclei, hadronic molecules and cold atoms. As one of its applications we use this expression and determine the low-energy parameters for the fermion dimer elastic scattering in shallow binding limit. For our lattice calculations we use Luescher's finite volume method. From the lattice calculations we find κa fd =1.174(9) and κr fd =-0.029(13), where κ represents the binding momentum of dimer and a fd (r fd ) denotes the scattering length (effective-range). These results are confirmed by the continuum calculations using the Skorniakov-Ter-Martirosian integral equation which gives 1.17907(1) and -0.0383(3) for the scattering length and effective range, respectively.

Low-field anomalous magnetic phase in the kagome-lattice shandite C o3S n2S2

Science.gov (United States)

Kassem, Mohamed A.; Tabata, Yoshikazu; Waki, Takeshi; Nakamura, Hiroyuki

2017-07-01

The magnetization process of single crystals of the metallic kagome ferromagnet C o3S n2S2 was carefully measured via magnetization and ac susceptibility. Field-dependent anomalous transitions observed in low fields indicate the presence of an unconventional magnetic phase just below the Curie temperature, TC. The magnetic phase diagrams in low magnetic fields along different crystallographic directions were determined for the first time. The magnetic relaxation measurements at various frequencies covering five orders of magnitude from 0.01 to 1000 Hz indicate markedly slow spin dynamics only in the anomalous phase with characteristic relaxation times longer than 10 s.

A statistical analysis of the elastic distortion and dislocation density fields in deformed crystals

KAUST Repository

Mohamed, Mamdouh S.

2015-05-18

The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoretical analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kröner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.

A statistical analysis of the elastic distortion and dislocation density fields in deformed crystals

KAUST Repository

Mohamed, Mamdouh S.; Larson, Ben C.; Tischler, Jon Z.; El-Azab, Anter

2015-01-01

The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoretical analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kröner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.

Anomalous piezoelectric effects, found in the laboratory and reconstructed by numerical simulation

Directory of Open Access Journals (Sweden)

K. P. Teisseyre

2002-06-01

Full Text Available Various rocks and minerals, which are not piezoelectric in the common sense, exhibit transient electric polarization in response to sudden changes in stress load. This anomalous piezoelectric effect differs from the regular, static piezoelectric response, in which electric charges appear as a result of crystal lattice deformation. The anomalous piezoelectricity is dynamic decaying in a few seconds or a few tens of seconds. However, in some materials different polarization properties are discovered. To explain certain aspects of the polarization signal increase and decay, some complicated mechanisms of electric charge generation and relaxation need to be assumed in their number ? concurrence of two or three relaxation processes. The hypothetical mechanisms are only mentioned, as the purpose of this work is to construct numerical models, behaving like the rocks investigated. Examples of experimental plots are shown together with the results of the numerical simulation of these experiments.

First-principles elastic constants and phonons of delta-Pu

DEFF Research Database (Denmark)

Söderlind, P.; Landa, A.; Sadigh, B.

2004-01-01

Elastic constants and zone-boundary phonons of delta-plutonium have been calculated within the density-functional theory. The paramagnetic state of delta-Pu is modeled by disordered magnetism utilizing either the disordered local moment or the special quasirandom structure techniques. The anomalo......Elastic constants and zone-boundary phonons of delta-plutonium have been calculated within the density-functional theory. The paramagnetic state of delta-Pu is modeled by disordered magnetism utilizing either the disordered local moment or the special quasirandom structure techniques....... The anomalously soft C-' as well as a large anisotropy ratio (C-44/C-') of delta-Pu is reproduced by this theoretical model. Also the recently measured phonons for delta-Pu compare relatively well with their theoretical counterpart at the zone boundaries....

In-situ measurement of texture and elastic strains with HIPPO-CRATES

International Nuclear Information System (INIS)

Hartig, Ch.; Vogel, S.C.; Mecking, H.

2006-01-01

In this paper, the micromechanical interaction between constituents of a metallic material during elastic and plastic deformation are analyzed by comparing experimental results with modeling predictions. This comparison aims at determining the locally acting internal stresses, the spatial distribution of strains and the rules allowing deriving the macroscopic behavior of the material from the behavior of its microscopic constituents. We report the application of a new deformation apparatus CRATES, which allows measuring texture and crystal lattice spacings, and from these crystal lattice strains, using neutron diffraction. From the in-situ measured elastic lattice strains ε hkl the corresponding local stresses can be derived. The deformation apparatus allows uni-axial tensile or compressive deformation up to 100 kN and is specifically designed for use in the HIPPO neutron time-of-flight diffractometer. In this paper, we report initial results on an iron-copper model system (Fe100, Fe33Cu67, Fe67Cu33, vol.%) and commercial magnesium alloys (Mg-AZ31 and Mg-AZ80). Finite element calculations using a crystal-plastic constitutive law, allowing for shear and hardening of crystallographic slip-systems, were used for the interpretation of the measurements

First-Principle Calculations for Elastic and Thermodynamic Properties of Diamond

International Nuclear Information System (INIS)

Fu Zhijian; Chen Xiangrong; Gou Qingquan; Ji Guangfu

2009-01-01

The elastic constants and thermodynamic properties of diamond are investigated by using the CRYSTAL03 program. The lattice parameters, the bulk modulus, the heat capacity, the Grueneisen parameter, and the Debye temperature are obtained. The results are in good agreement with the available experimental and theoretical data. Moreover, the relationship between V/V 0 and pressure, the elastic constants under high pressure are successfully obtained. Especially, the elastic constants of diamond under high pressure are firstly obtained theoretically. At the same time, the variations of the thermal expansion α with pressure P and temperature Tare obtained systematically in the ranges of 0-870 GPa and 0-1600 K. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Lattice effects in the light actinides

International Nuclear Information System (INIS)

Lawson, A.C.; Cort, B.; Roberts, J.A.; Bennett, B.I.; Brun, T.O.; Dreele, R.B. von; Richardson, J.W. Jr.

1998-01-01

The light actinides show a variety of lattice effects that do not normally appear in other regions of the periodic table. The article will cover the crystal structures of the light actinides, their atomic volumes, their thermal expansion behavior, and their elastic behavior as reflected in recent thermal vibration measurements made by neutron diffraction. A discussion of the melting points will be given in terms of the thermal vibration measurements. Pressure effects will be only briefly indicated

Lattice Boltzmann simulation of antiplane shear loading of a stationary crack

Science.gov (United States)

Schlüter, Alexander; Kuhn, Charlotte; Müller, Ralf

2018-01-01

In this work, the lattice Boltzmann method is applied to study the dynamic behaviour of linear elastic solids under antiplane shear deformation. In this case, the governing set of partial differential equations reduces to a scalar wave equation for the out of plane displacement in a two dimensional domain. The lattice Boltzmann approach developed by Guangwu (J Comput Phys 161(1):61-69, 2000) in 2006 is used to solve the problem numerically. Some aspects of the scheme are highlighted, including the treatment of the boundary conditions. Subsequently, the performance of the lattice Boltzmann scheme is tested for a stationary crack problem for which an analytic solution exists. The treatment of cracks is new compared to the examples that are discussed in Guangwu's work. Furthermore, the lattice Boltzmann simulations are compared to finite element computations. Finally, the influence of the lattice Boltzmann relaxation parameter on the stability of the scheme is illustrated.

Lorentz-covariant coordinate-space representation of the leading hadronic contribution to the anomalous magnetic moment of the muon

Science.gov (United States)

Meyer, Harvey B.

2017-09-01

We present a Lorentz-covariant, Euclidean coordinate-space expression for the hadronic vacuum polarisation, the Adler function and the leading hadronic contribution to the anomalous magnetic moment of the muon. The representation offers a high degree of flexibility for an implementation in lattice QCD. We expect it to be particularly helpful for the quark-line disconnected contributions.

Lorentz-covariant coordinate-space representation of the leading hadronic contribution to the anomalous magnetic moment of the muon

Energy Technology Data Exchange (ETDEWEB)

Meyer, Harvey B. [Mainz Univ., PRISMA Cluster of Excellence, Inst. fuer Kernphysik und Helmholtz Institut Mainz (Germany)

2017-09-15

We present a Lorentz-covariant, Euclidean coordinate-space expression for the hadronic vacuum polarisation, the Adler function and the leading hadronic contribution to the anomalous magnetic moment of the muon. The representation offers a high degree of flexibility for an implementation in lattice QCD. We expect it to be particularly helpful for the quark-line disconnected contributions. (orig.)

Initial Mechanical Testing of Superalloy Lattice Block Structures Conducted

Science.gov (United States)

Krause, David L.; Whittenberger, J. Daniel

2002-01-01

The first mechanical tests of superalloy lattice block structures produced promising results for this exciting new lightweight material system. The testing was performed in-house at NASA Glenn Research Center's Structural Benchmark Test Facility, where small subelement-sized compression and beam specimens were loaded to observe elastic and plastic behavior, component strength levels, and fatigue resistance for hundreds of thousands of load cycles. Current lattice block construction produces a flat panel composed of thin ligaments arranged in a three-dimensional triangulated trusslike structure. Investment casting of lattice block panels has been developed and greatly expands opportunities for using this unique architecture in today's high-performance structures. In addition, advances made in NASA's Ultra-Efficient Engine Technology Program have extended the lattice block concept to superalloy materials. After a series of casting iterations, the nickel-based superalloy Inconel 718 (IN 718, Inco Alloys International, Inc., Huntington, WV) was successfully cast into lattice block panels; this combination offers light weight combined with high strength, high stiffness, and elevated-temperature durability. For tests to evaluate casting quality and configuration merit, small structural compression and bend test specimens were machined from the 5- by 12- by 0.5-in. panels. Linear elastic finite element analyses were completed for several specimen layouts to predict material stresses and deflections under proposed test conditions. The structural specimens were then subjected to room-temperature static and cyclic loads in Glenn's Life Prediction Branch's material test machine. Surprisingly, the test results exceeded analytical predictions: plastic strains greater than 5 percent were obtained, and fatigue lives did not depreciate relative to the base material. These assets were due to the formation of plastic hinges and the redundancies inherent in lattice block construction

The relationship between elastic constants and structure of shock waves in a zinc single crystal

Science.gov (United States)

Krivosheina, M. N.; Kobenko, S. V.; Tuch, E. V.

2017-12-01

The paper provides a 3D finite element simulation of shock-loaded anisotropic single crystals on the example of a Zn plate under impact using a mathematical model, which allows for anisotropy in hydrostatic stress and wave velocities in elastic and plastic ranges. The simulation results agree with experimental data, showing the absence of shock wave splitting into an elastic precursor and a plastic wave in Zn single crystals impacted in the [0001] direction. It is assumed that the absence of an elastic precursor under impact loading of a zinc single crystal along the [0001] direction is determined by the anomalously large ratio of the c/a-axes and close values of the propagation velocities of longitudinal and bulk elastic waves. It is shown that an increase in only one elastic constant along the [0001] direction results in shock wave splitting into an elastic precursor and a shock wave of "plastic" compression.

Scattering phases for meson and baryon resonances on general moving-frame lattices

Energy Technology Data Exchange (ETDEWEB)

Goeckeler, M. [Regensburg Univ. (Germany). Institut fuer Theoretische Physik; Horsley, R. [Edinburgh Univ. (United Kingdom). School of Physics and Astronomy; Lage, M.; Rusetsky, A. [Bonn Univ. (Germany). Helmholtz-Inst. fuer Strahlen- und Kernphysik and Bethe Center for Theoretical Physics; Meissner, U.G. [Bonn Univ. (Germany). Helmholtz-Inst. fuer Strahlen- und Kernphysik and Bethe Center for Theoretical Physics; Forschungszentrum Juelich GmbH (Germany). Inst. fuer Kernphysik; Forschungszentrum Juelich (Germany). Juelich Center for Hadron Physics and JARA - High Performance Computing; Rakow, P.E.L. [Liverpool Univ. (United Kingdom). Theoretical Physics Division; Schierholz, G. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Zanotti, J.M. [Adelaide Univ., SA (Australia). CSSM, School of Chemistry and Physics

2012-06-15

A proposal by Luescher enables one to compute the scattering phases of elastic two-body systems from the energy levels of the lattice Hamiltonian in a finite volume. In this work we generalize the formalism to S-, P- and D-wave meson and baryon resonances, and general total momenta. Employing nonvanishing momenta has several advantages, among them making a wider range of energy levels accessible on a single lattice volume and shifting the level crossing to smaller values of m{sub {pi}}L.

The elastic solid solution model for minerals at high pressures and temperatures

Science.gov (United States)

Myhill, R.

2018-02-01

Non-ideality in mineral solid solutions affects their elastic and thermodynamic properties, their thermobaric stability, and the equilibrium phase relations in multiphase assemblages. At a given composition and state of order, non-ideality in minerals is typically modelled via excesses in Gibbs free energy which are either constant or linear with respect to pressure and temperature. This approach has been extremely successful when modelling near-ideal solutions. However, when the lattice parameters of the solution endmembers differ significantly, extrapolations of thermodynamic properties to high pressures using these models may result in significant errors. In this paper, I investigate the effect of parameterising solution models in terms of the Helmholtz free energy, treating volume (or lattice parameters) rather than pressure as an independent variable. This approach has been previously applied to models of order-disorder, but the implications for the thermodynamics and elasticity of solid solutions have not been fully explored. Solid solution models based on the Helmholtz free energy are intuitive at a microscopic level, as they automatically include the energetic contribution from elastic deformation of the endmember lattices. A chemical contribution must also be included in such models, which arises from atomic exchange within the solution. Derivations are provided for the thermodynamic properties of n-endmember solutions. Examples of the use of the elastic model are presented for the alkali halides, pyroxene, garnet, and bridgmanite solid solutions. Elastic theory provides insights into the microscopic origins of non-ideality in a range of solutions, and can make accurate predictions of excess enthalpies, entropies, and volumes as a function of volume and temperature. In solutions where experimental data are sparse or contradictory, the Helmholtz free energy approach can be used to assess the magnitude of excess properties and their variation as a function

Irradiation effects on c-axis lattice parameter in EuBa{sub 2}Cu{sub 3}O{sub y} irradiated with energetic ions

Energy Technology Data Exchange (ETDEWEB)

Ishikawa, Norito; Chimi, Yasuhiro; Iwase, Akihiro; Maeta, Hiroshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Tsuru, Koji; Michikami, Osamu

1997-03-01

We report an irradiation effect on c-axis lattice parameter in EuBa{sub 2}Cu{sub 3}O{sub y} oxide superconductors when irradiated with ions of energy ranging from 0.85 to 200 MeV. For the irradiation with low energy (0.85-2 MeV) ions, the defect production and the resultant c-axis lattice expansion were dominated by elastic collisions. On the other hand, for the irradiation with high energy (120-200 MeV) ions, the change in the c-axis lattice parameter was found to be much greater than that expected from the elastic displacement of target atoms. For high energy ion irradiation we could observe the excessive increase of c-axis lattice parameter reflecting additional production of defects which can be attributed to the electronic excitation. The large increase in c-axis lattice parameter due to high energy ion irradiation should be taken into account for the study on the interaction between vortices and irradiation-induced defects. (author)

A precise determination of the HVP contribution to the muon anomalous magnetic moment from lattice QCD

Science.gov (United States)

Lehner, Christoph

2018-03-01

In this talk I present the current status of a precise first-principles calculation of the quark connected, quark disconnected, and leading QED and strong isospin-breaking contributions to the leading-order hadronic vacuum polarization by the RBC and UKQCD collaborations. The lattice data is also combined with experimental e+e- scattering data, consistency between the two datasets is checked, and a combined result with smaller error than the lattice data and e+e- scattering data individually is presented.

Low-temperature monocrystal elastic constants of Fe-19Cr-10Ni

International Nuclear Information System (INIS)

Ledbetter, H.M.

1984-01-01

By a pulse-echo-overlap ultrasonic method, we determined the monocrystal elastic constants (C 11 , C 12 , C 44 ) of an Fe-19Cr-10Ni alloy between 295 and 4 K. In composition this laboratory alloy approximates a technological austenitic stainless steel: AISI 304. Many previous studies on polycrystalline steels found a low-temperature magnetic phase transition that affects physical properties, including elastic constants. At the transition, anomalies occur in all polycrystal elastic constants: Young's modulus, shear modulus, bulk modulus, and Poisson's ratio. The present study found that the transition, near 50 K, does not affect one monocrystal elastic constant: C 44 , the resistance to shear on a (100) plane in a [100]-type direction. We interpret this new observation from the viewpoint of a Born-type lattice model. Also, we comment about the relationship between the elastic-constant changes and the low-temperature magnetic state

Surface deformation caused by the Abrikosov vortex lattice

Czech Academy of Sciences Publication Activity Database

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

2008-01-01

Roč. 77, č. 18 (2008), 184509/1-184509/7 ISSN 1098-0121 R&D Projects: GA ČR GA202/08/0326; GA AV ČR IAA100100712 Grant - others:GA ČR(CZ) GA202/07/0597 Institutional research plan: CEZ:AV0Z10100521 Keywords : superconductivity * magneto-elastic effect * vortex lattice Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.322, year: 2008

Possible reasons for anomalous fading in alkali feldspars used for luminescence dating of Quaternary deposits

Directory of Open Access Journals (Sweden)

Jaek, Ivar

2007-09-01

Full Text Available According to many publications, alkali feldspars are characterized by specific athermal (anomalous fading of their thermoluminescence and optically-stimulated luminescence. This phenomenon is manifested as spontaneous decline in luminescence intensity over relatively long (months and years time after laboratory irradiation, possibly due to tunnelling of electrons from lattice defects and impurities acting as dosimetric traps. It can hamper reliable luminescent dating of Quaternary deposits on the basis of feldspar extractions due to possible unpredictable underestimation of the ages. In this paper we present some experimental results related to the manifestation of the phenomenon. It is found that, in general case, the assumed long-term anomalous fading cannot be connected to electron tunnelling from the deep dosimetric traps. At the same time, some decrease in the dosimetric luminescence signal observable in just irradiated feldspar samples can really be caused by tunnelling. However, the probability of this process quickly goes down, already within some days after irradiation. Interpretation of some other short- and long-term anomalous fading-like effects requires involvement of radiation- and thermo-induced ionic processes.

A precise determination of the HVP contribution to the muon anomalous magnetic moment from lattice QCD

Directory of Open Access Journals (Sweden)

Lehner Christoph

2018-01-01

Full Text Available In this talk I present the current status of a precise first-principles calculation of the quark connected, quark disconnected, and leading QED and strong isospin-breaking contributions to the leading-order hadronic vacuum polarization by the RBC and UKQCD collaborations. The lattice data is also combined with experimental e+e− scattering data, consistency between the two datasets is checked, and a combined result with smaller error than the lattice data and e+e− scattering data individually is presented.

Leading-order hadronic contribution to the anomalous magnetic moment of the muon from N_f=2+1+1 twisted mass fermions

Energy Technology Data Exchange (ETDEWEB)

Burger, Florian [Humboldt U. Berlin; Feng, Xu [KEK; Hotzel, Grit [Humboldt U. Berlin; Jansen, Karl [DESY; Petschlies, Marcus [The Cyprus Institute; Renner, Dru B. [JLAB

2013-11-01

We present results for the leading order QCD correction to the anomalous magnetic moment of the muon including the first two generations of quarks as dynamical degrees of freedom. Several light quark masses are examined in order to yield a controlled extrapolation to the physical pion mass. We analyse ensembles for three different lattice spacings and several volumes in order to investigate lattice artefacts and finite-size effects, respectively. We also provide preliminary results for this quantity for two flavours of mass-degenerate quarks at the physical value of the pion mass.

Anomalous misfit strain relaxation in ultrathin YBa2Cu3O7-δ epitaxial films

International Nuclear Information System (INIS)

Kamigaki, K.; Terauchi, H.; Terashima, T.; Bando, Y.; Iijima, K.; Yamamoto, K.; Hirata, K.; Hayashi, K.; Nakagawa, I.; Tomii, Y.

1991-01-01

Ultrathin YBa 2 Cu 3 O 7-δ epitaxial films were successfully grown in situ on (001) SrTiO 3 and MgO substrates by means of ozone-incorporating activated reactive evaporation. The x-ray-diffraction study was carefully examined to determine the structural properties of the grown films. Excellent crystallinity with no interfacial disorders was revealed by the appearance of the Laue oscillations. It was found that in a well lattice-matched YBa 2 Cu 3 O 7-δ /SrTiO 3 system, the crystallinity was deteriorated due to defect introduction at the critical layer thickness h c ( ∼ 130 A). Interestingly, also in a poorly lattice-matched YBa 2 Cu 3 O 7-δ /MgO system, excellent crystallinity was revealed even at above h c ( 2 Cu 3 O 7-δ /MgO system. In such a system, no crystal imperfection of the MgO substrate caused by defect introduction was elucidated by the grazing incidence x-ray scattering, which indicated that the MgO substrate did not contribute to the anomalous misfit relaxation. The anomalous growth manner was also found in YBa 2 Cu 3 O 7-δ /MgO according to surface morphology investigations. Below 40 A( > h c ), island nucleation growth was found. Above 40 A, it was observed that an atomically smooth surface was obtained and the crystallinity was simultaneously improved. It is suggested that YBa 2 Cu 3 O 7-δ possesses an anomalous misfit relaxation mechanism, and that especially in the growth on MgO, it couples with the characteristic growth behavior at the initial stage

Chiral Magnetic Effect and Anomalous Transport from Real-Time Lattice Simulations

International Nuclear Information System (INIS)

Müller, Niklas; Schlichting, Sören; Sharma, Sayantan

2016-01-01

Here, we present a first-principles study of anomaly induced transport phenomena by performing real-time lattice simulations with dynamical fermions coupled simultaneously to non-Abelian S U (N _c) and Abelian U (1) gauge fields. By investigating the behavior of vector and axial currents during a sphaleron transition in the presence of an external magnetic field, we demonstrate how the interplay of the chiral magnetic and chiral separation effect leads to the formation of a propagating wave. Furthermore, we analyze the dependence of the magnitude of the induced vector current and the propagation of the wave on the amount of explicit chiral symmetry breaking due to finite quark masses.

Elastic properties of distorted triangular lattice KNiCl3-family compounds

International Nuclear Information System (INIS)

Nishiwaki, Yoichi; Hasegawa, Takumi; Machida, Kenichi; Takeuchi, Yoshio

2006-01-01

In order to discuss the condensation of the K 4 -mode in KNiCl 3 -family compounds, the temperature dependences of the elastic compliances of KNiCl 3 , RbMnBr 3 , RbFeBr 3 , and RbCoBr 3 were measured. In each compound, the temperature dependence of the elastic compliances s 33 showed a sharp discontinuity at the point of structural phase transition from a prototype P6 3 /mmc structure. The structural phase transitions of the KNiCl 3 -family compounds are induced by the condensation of the K 4 -mode at the Brilluoin zone boundary in the P6 3 /mmc structure. When the K 4 -mode is regarded as an order parameter η, the Landau free energy includes coupling term η 2 T 3 , where T 3 is an external stress. The experimental results were interpreted satisfactorily on the basis of a phenomenological Landau theory. (author)

Nonlinear Elasticity of Borocarbide Superconductor YNi2B2C: A First-Principles Study

Directory of Open Access Journals (Sweden)

Lili Liu

2017-01-01

Full Text Available First-principles calculations combined with homogeneous deformation methods are used to investigate the second- and third-order elastic constants of YNi2B2C with tetragonal structure. The predicted lattice constants and second-order elastic constants of YNi2B2C agree well with the available data. The effective second-order elastic constants are obtained from the second- and third-order elastic constants for YNi2B2C. Based on the effective second-order elastic constants, Pugh’s modulus ratio, Poisson’s ratio, and Vickers hardness of YNi2B2C under high pressure are further investigated. It is shown that the ductility of YNi2B2C increases with increasing pressure.

Searching for new physics at the frontiers with lattice quantum chromodynamics.

Science.gov (United States)

Van de Water, Ruth S

2012-07-01

Numerical lattice-quantum chromodynamics (QCD) simulations, when combined with experimental measurements, allow the determination of fundamental parameters of the particle-physics Standard Model and enable searches for physics beyond-the-Standard Model. We present the current status of lattice-QCD weak matrix element calculations needed to obtain the elements and phase of the Cabibbo-Kobayashi-Maskawa (CKM) matrix and to test the Standard Model in the quark-flavor sector. We then discuss evidence that may hint at the presence of new physics beyond the Standard Model CKM framework. Finally, we discuss two opportunities where we expect lattice QCD to play a pivotal role in searching for, and possibly discovery of, new physics at upcoming high-intensity experiments: rare decays and the muon anomalous magnetic moment. The next several years may witness the discovery of new elementary particles at the Large Hadron Collider (LHC). The interplay between lattice QCD, high-energy experiments at the LHC, and high-intensity experiments will be needed to determine the underlying structure of whatever physics beyond-the-Standard Model is realized in nature. © 2012 New York Academy of Sciences.

Chiral anomaly and anomalous finite-size conductivity in graphene

Science.gov (United States)

Shen, Shun-Qing; Li, Chang-An; Niu, Qian

2017-09-01

Graphene is a monolayer of carbon atoms packed into a hexagon lattice to host two spin degenerate pairs of massless two-dimensional Dirac fermions with different chirality. It is known that the existence of non-zero electric polarization in reduced momentum space which is associated with a hidden chiral symmetry will lead to the zero-energy flat band of a zigzag nanoribbon and some anomalous transport properties. Here it is proposed that the Adler-Bell-Jackiw chiral anomaly or non-conservation of chiral charges of Dirac fermions at different valleys can be realized in a confined ribbon of finite width, even in the absence of a magnetic field. In the laterally diffusive regime, the finite-size correction to conductivity is always positive and is inversely proportional to the square of the lateral dimension W, which is different from the finite-size correction inversely proportional to W from the boundary modes. This anomalous finite-size conductivity reveals the signature of the chiral anomaly in graphene, and it is measurable experimentally. This finding provides an alternative platform to explore the purely quantum mechanical effect in graphene.

Study of lattice strain evolution during biaxial deformation of stainless steel using a finite element and fast Fourier transform based multi-scale approach

International Nuclear Information System (INIS)

Upadhyay, M.V.; Van Petegem, S.; Panzner, T.; Lebensohn, R.A.; Van Swygenhoven, H.

2016-01-01

A multi-scale elastic-plastic finite element and fast Fourier transform based approach is proposed to study lattice strain evolution during uniaxial and biaxial loading of stainless steel cruciform shaped samples. At the macroscale, finite element simulations capture the complex coupling between applied forces in the arms and gauge stresses induced by the cruciform geometry. The predicted gauge stresses are used as macroscopic boundary conditions to drive a mesoscale elasto-viscoplastic fast Fourier transform model, from which lattice strains are calculated for particular grain families. The calculated lattice strain evolution matches well with experimental values from in-situ neutron diffraction measurements and demonstrates that the spread in lattice strain evolution between different grain families decreases with increasing biaxial stress ratio. During equibiaxial loading, the model reveals that the lattice strain evolution in all grain families, and not just the 311 grain family, is representative of the polycrystalline response. A detailed quantitative analysis of the 200 and 220 grain family reveals that the contribution of elastic and plastic anisotropy to the lattice strain evolution significantly depends on the applied stress ratio.

The 1D Kondo lattice model at criticality

International Nuclear Information System (INIS)

Gulacsi, M.

1998-01-01

The transition from a ferromagnetic phase, to a disordered paramagnetic phase, which occurs in one-dimensional Kondo lattice models is described. The transition is the quantum order-disorder transition of the transverse-field Ising chain type, and reflects ferromagnetically ordered regions of localized spins being gradually destroyed as the coupling to the conduction electrons is reduced. For incommensurate conduction band fillings, the low-energy properties of the localized spins near the transition are dominated by anomalous ordered (disordered) regions of localized spins which survive into the ferromagnetic (paramagnetic) phase. (Copyright (1998) World Scientific Publishing Co. Pte. Ltd)

Statistical mechanics of lattice Boson field theory

International Nuclear Information System (INIS)

1976-01-01

A lattice approximation to Euclidean, boson quantum field theory is expressed in terms of the thermodynamic properties of a classical statistical mechanical system near its critical point in a sufficiently general way to permit the inclusion of an anomalous dimension of the vacuum. Using the thermodynamic properties of the Ising model, one can begin to construct nontrivial (containing scattering) field theories in 2, 3 and 4 dimensions. It is argued that, depending on the choice of the bare coupling constant, there are three types of behavior to be expected: the perturbation theory region, the renormalization group fixed point region, and the Ising model region

Statistical mechanics of lattice boson field theory

International Nuclear Information System (INIS)

Baker, G.A. Jr.

1977-01-01

A lattice approximation to Euclidean, boson quantum field theory is expressed in terms of the thermodynamic properties of a classical statistical mechanical system near its critical point in a sufficiently general way to permit the inclusion of an anomalous dimension of the vacuum. Using the thermodynamic properties of the Ising model, one can begin to construct nontrivial (containing scattering) field theories in 2, 3, and 4 dimensions. It is argued that, depending on the choice of the bare coupling constant, there are three types of behavior to be expected: the perturbation theory region, the renormalization group fixed point region, and the Ising model region. 24 references

Moment analysis of hadronic vacuum polarization. Proposal for a lattice QCD evaluation of gμ - 2

Science.gov (United States)

de Rafael, Eduardo

2014-09-01

I suggest a new approach to the determination of the hadronic vacuum polarization (HVP) contribution to the anomalous magnetic moment of the muon aμHVP in lattice QCD. It is based on properties of the Mellin transform of the hadronic spectral function and their relation to the HVP self-energy in the Euclidean. I show how aμHVP is very well approximated by a few moments associated to this Mellin transform and how these moments can be evaluated in lattice QCD, providing thus a series of tests when compared with the corresponding determinations using experimental data.

Leading-order hadronic contribution to the anomalous magnetic moment of the muon from N{sub f}=2+1+1 twisted mass fermions

Energy Technology Data Exchange (ETDEWEB)

Burger, Florian; Hotzel, Grit [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik; Feng, Xu [High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki (Japan); Jansen, Karl [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Petschlies, Marcus [The Cyprus Institute, Nicosia (Cyprus); Renner, Dru B. [Jefferson Lab, Newport News, VA (United States)

2013-12-15

We present results for the leading order QCD correction to the anomalous magnetic moment of the muon including the first two generations of quarks as dynamical degrees of freedom. Several light quark masses are examined in order to yield a controlled extrapolation to the physical pion mass. We analyse ensembles for three different lattice spacings and several volumes in order to investigate lattice artefacts and finite-size effects, respectively. We also provide preliminary results for this quantity for two flavours of mass-degenerate quarks at the physical value of the pion mass.

Role of interstitial atoms in the microstructure and non-linear elastic deformation behavior of Ti–Nb alloy

Energy Technology Data Exchange (ETDEWEB)

Tahara, Masaki [Division of Materials Science, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan); Precision and Intelligence Laboratory, Tokyo Institute of Technology, Yokohama 226-8503 (Japan); Kim, Hee Young, E-mail: heeykim@ims.tsukuba.ac.jp [Division of Materials Science, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan); Inamura, Tomonari; Hosoda, Hideki [Precision and Intelligence Laboratory, Tokyo Institute of Technology, Yokohama 226-8503 (Japan); Miyazaki, Shuichi, E-mail: miyazaki@ims.tsukuba.ac.jp [Division of Materials Science, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan); Center of Excellence for Advanced Materials Research, King Abdulaziz University, P.O. Box 80203, Jeddah 21589 (Saudi Arabia); School of Materials Science and Engineering and ERI, Gyeongsang National University, 900 Gazwadong, Jinju, Gyeongnam 660-701 (Korea, Republic of)

2013-11-15

Highlights: ► {110}{sub β}〈11{sup ¯}0〉{sub β} transverse type lattice modulation is confirmed in β phase. ► Nanosized modulated region (nanodomain) distributes homogeneously and randomly. ► Nanodomains act as obstacles against the long-ranged martensitic transformation. ► The origin of non-linear elastic deformation behavior is the continuous increase in lattice distortion strain of the favorable nanodomain variant during tensile deformation. -- Abstract: In order to clarify the effect of interstitial atoms on the non-linear elastic deformation behavior of the Ti–Nb alloy, the microstructure of (Ti–26Nb)–1.0O alloy was closely investigated by transmission electron microscope (TEM) and in situ X-ray diffraction (XRD) measurements. The 〈1 1 0〉{sub β}* rel rods and {1 1 1}{sub β}* rel planes were observed in a reciprocal space for the (Ti–26Nb)–1.0O alloy. Their origin was {110}{sub β}〈11{sup ¯}0〉{sub β} transverse type lattice modulation generated by oxygen atoms. Nanosized modulated domain structure (nanodomain) distributed homogeneously and randomly in the β phase and acted as obstacles for the long-ranged martensitic transformation in the (Ti–26Nb)–1.0O alloy. The non-linear elastic strain of the (Ti–26Nb)–1.0O alloy was generated by the continuous increase in lattice distortion strain of the favorable nanodomain variant during tensile deformation.

Role of interstitial atoms in the microstructure and non-linear elastic deformation behavior of Ti–Nb alloy

International Nuclear Information System (INIS)

Tahara, Masaki; Kim, Hee Young; Inamura, Tomonari; Hosoda, Hideki; Miyazaki, Shuichi

2013-01-01

Highlights: ► {110} β 〈11 ¯ 0〉 β transverse type lattice modulation is confirmed in β phase. ► Nanosized modulated region (nanodomain) distributes homogeneously and randomly. ► Nanodomains act as obstacles against the long-ranged martensitic transformation. ► The origin of non-linear elastic deformation behavior is the continuous increase in lattice distortion strain of the favorable nanodomain variant during tensile deformation. -- Abstract: In order to clarify the effect of interstitial atoms on the non-linear elastic deformation behavior of the Ti–Nb alloy, the microstructure of (Ti–26Nb)–1.0O alloy was closely investigated by transmission electron microscope (TEM) and in situ X-ray diffraction (XRD) measurements. The 〈1 1 0〉 β * rel rods and {1 1 1} β * rel planes were observed in a reciprocal space for the (Ti–26Nb)–1.0O alloy. Their origin was {110} β 〈11 ¯ 0〉 β transverse type lattice modulation generated by oxygen atoms. Nanosized modulated domain structure (nanodomain) distributed homogeneously and randomly in the β phase and acted as obstacles for the long-ranged martensitic transformation in the (Ti–26Nb)–1.0O alloy. The non-linear elastic strain of the (Ti–26Nb)–1.0O alloy was generated by the continuous increase in lattice distortion strain of the favorable nanodomain variant during tensile deformation

Lattice instability and martensitic transformation in LaAg predicted from first-principles theory

DEFF Research Database (Denmark)

Vaitheeswaran, G.; Kanchana, V.; Zhang, X.

2012-01-01

The electronic structure, elastic constants and lattice dynamics of the B2 type intermetallic compound LaAg are studied by means of density functional theory calculations with the generalized gradient approximation for exchange and correlation. The calculated equilibrium properties and elastic......, calculated using density functional perturbation theory, are in good agreement with available inelastic neutron scattering data. Under pressure, the phonon dispersions develop imaginary frequencies, starting at around 2.3 GPa, in good accordance with the martensitic instability observed above 3.4 GPa...

Lattice thermal transport in group II-alloyed PbTe

Science.gov (United States)

Xia, Yi; Hodges, James M.; Kanatzidis, Mercouri G.; Chan, Maria K. Y.

2018-04-01

PbTe, one of the most promising thermoelectric materials, has recently demonstrated a thermoelectric figure of merit (ZT) of above 2.0 when alloyed with group II elements. The improvements are due mainly to significant reduction of lattice thermal conductivity (κl), which was in turn attributed to nanoparticle precipitates. However, a fundamental understanding of various phonon scattering mechanisms within the bulk alloy is still lacking. In this work, we apply the newly-developed density-functional-theory-based compressive sensing lattice dynamics approach to model lattice heat transport in PbTe, MTe, and Pb0.94M0.06Te (M = Mg, Ca, Sr, and Ba) and compare our results with experimental measurements, with focus on the strain effect and mass disorder scattering. We find that (1) CaTe, SrTe, and BaTe in the rock-salt structure exhibit much higher κl than PbTe, while MgTe in the same structure shows anomalously low κl; (2) lattice heat transport of PbTe is extremely sensitive to static strain induced by alloying atoms in solid solution form; (3) mass disorder scattering plays a major role in reducing κl for Mg/Ca/Sr-alloyed PbTe through strongly suppressing the lifetimes of intermediate- and high-frequency phonons, while for Ba-alloyed PbTe, precipitated nanoparticles are also important.

Elastic gauge fields and Hall viscosity of Dirac magnons

Science.gov (United States)

Ferreiros, Yago; Vozmediano, María A. H.

2018-02-01

We analyze the coupling of elastic lattice deformations to the magnon degrees of freedom of magnon Dirac materials. For a honeycomb ferromagnet we find that, as happens in the case of graphene, elastic gauge fields appear coupled to the magnon pseudospinors. For deformations that induce constant pseudomagnetic fields, the spectrum around the Dirac nodes splits into pseudo-Landau levels. We show that when a Dzyaloshinskii-Moriya interaction is considered, a topological gap opens in the system and a Chern-Simons effective action for the elastic degrees of freedom is generated. Such a term encodes a phonon Hall viscosity response, entirely generated by quantum fluctuations of magnons living in the vicinity of the Dirac points. The magnon Hall viscosity vanishes at zero temperature, and grows as temperature is raised and the states around the Dirac points are increasingly populated.

Thermal conduction in classical low-dimensional lattices

International Nuclear Information System (INIS)

Lepri, Stefano; Livi, Roberto; Politi, Antonio

2003-01-01

Deriving macroscopic phenomenological laws of irreversible thermodynamics from simple microscopic models is one of the tasks of non-equilibrium statistical mechanics. We consider stationary energy transport in crystals with reference to simple mathematical models consisting of coupled oscillators on a lattice. The role of lattice dimensionality on the breakdown of the Fourier's law is discussed and some universal quantitative aspects are emphasized: the divergence of the finite-size thermal conductivity is characterized by universal laws in one and two dimensions. Equilibrium and non-equilibrium molecular dynamics methods are presented along with a critical survey of previous numerical results. Analytical results for the non-equilibrium dynamics can be obtained in the harmonic chain where the role of disorder and localization can be also understood. The traditional kinetic approach, based on the Boltzmann-Peierls equation is also briefly sketched with reference to one-dimensional chains. Simple toy models can be defined in which the conductivity is finite. Anomalous transport in integrable non-linear systems is briefly discussed. Finally, possible future research themes are outlined

Analysis of elastic and inelastic α12C data (Esub(α)=1.37 GeV) with a multiple diffraction model

International Nuclear Information System (INIS)

Alexander, Y.; Rinat, S.

1976-01-01

High-energy inelastic α 12 C distributions are analyzed with an eikonalized DWIA. Using an elastic phase function parametrized to fit the elastic α 12 C distribution and further inelastic form factors from electron scattering data, we obtained reasonable agreement for the 2 + and O + ' contributions. The anomalous absence of a predicted diffraction minimum in the 3 - and also the 1 GeV p 12 C data are observed and discussed. (B.G.)

Noncentral forces and lattice vibration in transition metals. Alpha-iron, chromium, and tungsten

Energy Technology Data Exchange (ETDEWEB)

Singh, V P; Kharoo, H L; Kumar, M; Hemkar, M P [Allahabad Univ. (India). Dept. of Physics

1976-03-11

The elastic-force model proposed in a previous paper has been considered to compute the phonon dispersion relations for lattice waves propagating along the principal symmetry directions of ..cap alpha..-iron, chromium and tungsten. The model, however, takes into account the central forces together with the Clark, Gazis and Wallis type angular forces and the effect of electron-iron interaction on the lattice vibration as outlined by Krebs. The theoretical results are found to be quite satisfactory and compare well with recent neutron scattering data.

Mass anomalous dimension of Adjoint QCD at large N from twisted volume reduction

CERN Document Server

Pérez, Margarita García; Keegan, Liam; Okawa, Masanori

2015-01-01

In this work we consider the $SU(N)$ gauge theory with two Dirac fermions in the adjoint representation, in the limit of large $N$. In this limit the infinite-volume physics of this model can be studied by means of the corresponding twisted reduced model defined on a single site lattice. Making use of this strategy we study the reduced model for various values of $N$ up to 289. By analyzing the eigenvalue distribution of the adjoint Dirac operator we test the conformality of the theory and extract the corresponding mass anomalous dimension.

Mass anomalous dimension of adjoint QCD at large N from twisted volume reduction

Energy Technology Data Exchange (ETDEWEB)

Pérez, Margarita García [Instituto de Física Teórica UAM-CSIC, Nicolás Cabrera 13-15, Universidad Autónoma de Madrid,E-28049-Madrid (Spain); González-Arroyo, Antonio [Instituto de Física Teórica UAM-CSIC, Nicolás Cabrera 13-15, Universidad Autónoma de Madrid,E-28049-Madrid (Spain); Departamento de Física Teórica, C-XI, Universidad Autónoma de Madrid,E-28049-Madrid (Spain); Keegan, Liam [PH-TH, CERN,CH-1211 Geneva 23 (Switzerland); Okawa, Masanori [Graduate School of Science, Hiroshima University,Higashi-Hiroshima, Hiroshima 739-8526 (Japan); Core of Research for the Energetic Universe, Hiroshima University,Higashi-Hiroshima, Hiroshima 739-8526 (Japan)

2015-08-07

In this work we consider the SU(N) gauge theory with two Dirac fermions in the adjoint representation, in the limit of large N. In this limit the infinite-volume physics of this model can be studied by means of the corresponding twisted reduced model defined on a single site lattice. Making use of this strategy we study the reduced model for various values of N up to 289. By analyzing the eigenvalue distribution of the adjoint Dirac operator we test the conformality of the theory and extract the corresponding mass anomalous dimension.

Regularization of a massless dirac model to describe anomalous electromagnetic response of Weyl semimetals

International Nuclear Information System (INIS)

Takane, Yoshitake

2016-01-01

An unbounded massless Dirac model with two nondegenerate Dirac cones is the simplest model for Weyl semimetals, which show the anomalous electromagnetic response of chiral magnetic effect (CME) and anomalous Hall effect (AHE). However, if this model is naively used to analyze the electromagnetic response within a linear response theory, it gives the result apparently inconsistent with the persuasive prediction based on a lattice model. We show that this serious difficulty is related to the breaking of current conservation in the Dirac model due to quantum anomaly and can be removed if current and charge operators are redefined to include the contribution from the anomaly. We demonstrate that the CME as well as the AHE can be properly described using newly defined operators, and clarify that the CME is determined by the competition between the contribution from the anomaly and that from low-energy electrons. (author)

Anomalous dimension, chiral phase transition and inverse magnetic catalysis in soft-wall AdS/QCD

Energy Technology Data Exchange (ETDEWEB)

Fang, Zhen, E-mail: fangzhen@itp.ac.cn [Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Science, Beijing 100190 (China); University of Chinese Academy of Sciences, Beijing (China)

2016-07-10

A modified soft-wall AdS/QCD model with a z-dependent bulk scalar mass is proposed. We argue for the necessity of a modified bulk scalar mass from the quark mass anomalous dimension and carefully constrain the form of bulk mass by the corresponding UV and IR asymptotics. After fixing the form of bulk scalar mass, we calculate the mass spectra of (axial-)vector and pseudoscalar mesons, which have a good agreement with the experimental data. The behavior of chiral phase transition is also investigated, and the results are consistent with the standard scenario and lattice simulations. Finally, the issue of chiral magnetic effects is addressed. We find that the inverse magnetic catalysis emerges naturally from the modified soft-wall model, which is consistent with the recent lattice simulations.

High-temperature elastic properties of in situ-reinforced Si3N4

International Nuclear Information System (INIS)

Swift, Geoffrey A.; Uestuendag, Ersan; Clausen, Bjoern; Bourke, Mark A.M.; Lin, H.-T.

2003-01-01

A high-temperature tensile stress study of a monolithic silicon nitride (Si 3 N 4 ) was performed with time-of-flight neutron diffraction. A dedicated engineering diffractometer was employed at temperatures reaching 1375 deg. C. Rietveld refinements of diffraction spectra allowed the determination of (1) the coefficient of thermal expansion tensor during heating and (2) lattice strains during loading. The stress-strain response of individual lattice reflections was used to calculate the single-crystal elastic stiffness tensor of Si 3 N 4 at 1375 deg. C via a self-consistent model

Topological phase transition in anisotropic square-octagon lattice with spin-orbit coupling and exchange field

Science.gov (United States)

Yang, Yuan; Yang, Jian; Li, Xiaobing; Zhao, Yue

2018-03-01

We investigate the topological phase transitions in an anisotropic square-octagon lattice in the presence of spin-orbit coupling and exchange field. On the basis of the Chern number and spin Chern number, we find a number of topologically distinct phases with tuning the exchange field, including time-reversal-symmetry-broken quantum spin Hall phases, quantum anomalous Hall phases and a topologically trivial phase. Particularly, we observe a coexistent state of both the quantum spin Hall effect and quantum anomalous Hall effect. Besides, by adjusting the exchange filed, we find the phase transition from time-reversal-symmetry-broken quantum spin Hall phase to spin-imbalanced and spin-polarized quantum anomalous Hall phases, providing an opportunity for quantum spin manipulation. The bulk band gap closes when topological phase transitions occur between different topological phases. Furthermore, the energy and spin spectra of the edge states corresponding to different topological phases are consistent with the topological characterization based on the Chern and spin Chern numbers.

Interface effects on effective elastic moduli of nanocrystalline materials

International Nuclear Information System (INIS)

Wang Gangfeng; Feng Xiqiao; Yu Shouwen; Nan Cewen

2003-01-01

Interfaces often play a significant role in many physical properties and phenomena of nanocrystalline materials (NcMs). In the present paper, the interface effects on the effective elastic property of NcMs are investigated. First, an atomic potential method is suggested for estimating the effective elastic modulus of an interface phase. Then, the Mori-Tanaka effective field method is employed to determine the overall effective elastic moduli of a nanocrystalline material, which is regarded as a binary composite consisting of a crystal or inclusion phase with regular lattice connected by an amorphous-like interface or matrix phase. Finally, the stiffening effects of strain gradients are examined on the effective elastic property by using the strain gradient theory to analyze a representative unit cell. Our analysis shows two physical mechanisms of interfaces that influence the effective stiffness and other mechanical properties of materials. One is the softening effect due to the distorted atomic structures and the increased atomic spacings in interface regions, and another is the baffling effect due to the existence of boundary layers between the interface phase and the crystalline phase

Anomalous lattice vibrations of monolayer MoS 2 probed by ultraviolet Raman scattering

KAUST Repository

Liu, Hsiang Lin; Guo, Huaihong; Yang, Teng; Zhang, Zhidong; Kumamoto, Yasuaki; Shen, Chih Chiang; Hsu, Yu Te; Li, Lain-Jong; Saito, Riichiro; Kawata, Satoshi

2015-01-01

We present a comprehensive Raman scattering study of monolayer MoS2 with increasing laser excitation energies ranging from the near-infrared to the deep-ultraviolet. The Raman scattering intensities from the second-order phonon modes are revealed to be enhanced anomalously by only the ultraviolet excitation wavelength 354 nm. We demonstrate theoretically that such resonant behavior arises from a strong optical absorption that forms near the Γ point and of the band structure and an inter-valley resonant electronic scattering by the M-point phonons. These results advance our understanding of the double resonance Raman scattering process in low-dimensional semiconducting nanomaterials and provide a foundation for the technological development of monolayer MoS2 in the ultraviolet frequency range. © the Owner Societies 2015.

Low-temperature elastic anomalies in CaTiO3: dynamical characterization

Science.gov (United States)

Placeres-Jiménez, R.; Gonçalves, L. G. V.; Rino, J. P.; Fraygola, B.; Nascimento, W. J.; Eiras, J. A.

2012-11-01

Pulse-echo ultrasonic measurements of elastic coefficients of CaTiO3 show anomalous behavior around 200 K, with a notable rise in the attenuation coefficient. Molecular dynamics simulation is used to simulate the elastic response of a mono-domain (MDm) and a poly-domain (PDm) configuration of CaTiO3 using the Vashishta-Raman interatomic potential. The PDm is obtained by cooling the melt from 3600 to 300 K at a rate of 0.5 K ps-1, so that it recrystallizes to the PDm orthorhombic configuration. The elastic behavior is simulated in the temperature range from 300 to 20 K. In the MDm, it is observed that the bulk modulus varies linearly with temperature, while in the PDm an anomalous hardening is seen around 210 K. The bulk modulus of the PDm fluctuates strongly and is lower than that of the MDm. Neither the pair correlation function nor the Ti-Ti-O bonding angle indicate a true structural phase transition in this range of temperatures. Given the absence of any apparent change in the structure, a possible explanation for this phenomenon is the emergence of a certain class of dynamical instability associated with domain wall motion. Curiously, the pressure fluctuations in both the MDm and PDm configurations follow a power law distribution f ˜ P-α, with the exponent independent of applied strain and temperature. Time series for pressure are used to analyze the dynamics by time-delay reconstruction techniques. The calculus of embedding and correlation dimension indicates that in the polycrystalline configuration, low-dimension dynamics (<26) appears, which tend to disappear at higher temperatures.

Longitudinal disordering of vortex lattices in anisotropic superconductors

International Nuclear Information System (INIS)

Harshman, D.R.; Brandt, E.H.; Fiory, A.T.; Inui, M.; Mitzi, D.B.; Schneemeyer, L.F.; Waszczak, J.V.

1993-01-01

Vortex disordering in superconducting crystals is shown to be markedly sensitive to penetration-depth anisotropy. At low temperature and high magnetic field, the muon-spin-rotation spectra for the highly anisotropic Bi 2 Sr 2 CaCu 2 O 8+δ material are found to be anomalously narrow and symmetric about the applied field, in a manner consistent with a layered vortex sublattice structure with pinning-induced misalignment between layers. In contrast, spectra for the less-anisotropic YBa 2 Cu 3 O 7-δ compounds taken at comparable fields are broader and asymmetric, showing that the vortex lattices are aligned parallel to the applied-field direction

Ab-initio study of structural, elastic, electronic and thermodynamic properties of BaxSr1−xS ternary alloys

Directory of Open Access Journals (Sweden)

Chelli S.

2015-12-01

Full Text Available The structural, elastic, electronic and thermodynamic properties of BaxSr1−xS ternary alloys have been investigated using the full-potential (linearized augmented plane wave method. The ground state properties, such as lattice constant, bulk modulus and elastic constants, are in good agreement with numerous experimental and theoretical data. The dependence of the lattice parameters, bulk modulus and band gap on the composition x was analyzed. Deviation of the lattice constant from Vegard’s law and the bulk modulus from linear concentration dependence (LCD was observed. The microscopic origins of the gap bowing were explained by using the approach of Zunger et al. The thermodynamic stability of BaxSr1−xS alloy was investigated by calculating the excess enthalpy of mixing, ΔHm and the calculated phase diagram showed a broad miscibility gap with a critical temperature.

Theory of spin-lattice relaxation of diffusing light nuclei in glasses

International Nuclear Information System (INIS)

Schirmer, A.; Schirmacher, W.

1988-01-01

NMR data of diffusion-induced spin-lattice relaxation in glasses cannot generally be interpreted in the framework of the classical theory of Bloembergen, Purcell and Pound (BPP). Since it is based on exponential density relaxation, generally bnot found in glasses, the BPP formula must be generalized. Here a combination of standard relaxation theory with a hopping model for diffusion in glasses is present. It is shown that the observed anomaties in the NMR data can be explained as a result of anomalous diffusion. 25 refs.; 1 figure

Topological dynamics of gyroscopic and Floquet lattices from Newton's laws

Science.gov (United States)

Lee, Ching Hua; Li, Guangjie; Jin, Guliuxin; Liu, Yuhan; Zhang, Xiao

2018-02-01

Despite intense interest in realizing topological phases across a variety of electronic, photonic, and mechanical platforms, the detailed microscopic origin of topological behavior often remains elusive. To bridge this conceptual gap, we show how hallmarks of topological modes—boundary localization and chirality—emerge from Newton's laws in mechanical topological systems. We first construct a gyroscopic lattice with analytically solvable edge modes, and show how the Lorentz and spring restoring forces conspire to support very robust "dangling bond" boundary modes. The chirality and locality of these modes intuitively emerges from microscopic balancing of restoring forces and cyclotron tendencies. Next, we introduce the highlight of this work, an experimentally realistic mechanical nonequilibrium (Floquet) Chern lattice driven by ac electromagnets. Through appropriate synchronization of the ac driving protocol, the Floquet lattice is "pushed around" by a rotating potential analogous to an object washed ashore by water waves. Besides hosting "dangling bond" chiral modes analogous to the gyroscopic boundary modes, our Floquet Chern lattice also supports peculiar half-period chiral modes with no static analog, i.e., analogs of anomalous Floquet Chern insulators edge modes. With key parameters controlled electronically, our setup has the advantage of being dynamically tunable for applications involving arbitrary Floquet modulations. The physical intuition gleaned from our two prototypical topological systems is applicable not just to arbitrarily complicated mechanical systems, but also photonic and electrical topological setups.

Orientation dependence of shape memory and super elastic effects in Ti-30% Ni-20% Cu single crystals

International Nuclear Information System (INIS)

Chumlyakov, Yu.I.; Kireeva, I.V.

1999-01-01

Single crystals of Ti-30% Ni-20% Cu (at.%) alloy experiencing B2-B19 martensitic transformation are used to study the dependence of deforming stress σ cr , shape memory effect and super elasticity on test temperature, crystal orientation and the sign of tension/compression stresses. It is shown that experimental values of shape memory effect and super elasticity as well as their dependences on orientation and loading regime are described within the frameworks of the model taking into account lattice distortions only. The orientation dependence and axial stress asymmetry in the temperature range of stress-induced martensite formation are determined by the dependence of lattice distortion during B2-B19 martensitic transformations on the orientation and the sign of applied stresses [ru

The role of peripheral partial waves in the anomalous large angle scattering of n-α nuclei

International Nuclear Information System (INIS)

Aleixo, A.N.F.; Canto, L.F.; Carrilho, P.; Hussein, M.S.

1984-01-01

Properties of the elastic excitation function at 180 0 produced by deviations from the usual strong absorption S-matrix are studied. Deviations S approx. with the shape of windows in l-space, centered around a value l approx. corresponding to a peripheral collision are considered and the analysis is concentrated in the interference of the partial waves neighbouring l approx.. The conditions for constructive and destructive interference and the effect of odd-even staggering factors are investigated, in the presence and in the absence of Coulomb and nuclear refraction. The consequences of such interference on the anomalous behaviour of the 180 0 excitation function for the elastic scattering of some n-α nuclei are discussed, in connection with results of other works. (Author) [pt

Flux lattice melting in high-Tc superconductors

International Nuclear Information System (INIS)

Houghton, A.; Pelcovits, R.A.; Sudbo, A.

1989-01-01

We derive the wave-vector-dependent elastic moduli for a flux line lattice in compounds with underlying tetragonal crystalline symmetry. We find that it is essential to retain wave-vector dependence of the moduli when dealing with compounds where κ is large, as it is in the high-T c materials. We use our results to establish a Lindemann criterion for flux lattice melting, which we then compare with experimental data on two materials, and find excellent agreement. The melting curves are suppressed well below the mean-field superconducting-normal transition line and are linear in temperature over a wide range of magnetic fields. The point H=0, T=T c is approached as 1-T/T c ∼H 1/2 . The degree of suppression of the melting curves among the different compounds is accounted for in the main by differences in mass anisotropy

Diffraction anomalous fine structure using X-ray anomalous dispersion

International Nuclear Information System (INIS)

Soejima, Yuji; Kuwajima, Shuichiro

1998-01-01

A use of X-ray anomalous dispersion effects for structure investigation has recently been developed by using synchrotron radiation. One of the interesting method is the observation of anomalous fine structure which arise on diffraction intensity in energy region of incident X-ray at and higher than absorption edge. The phenomenon is so called Diffraction Anomalous Fine Structure (DAFS). DAFS originates in the same physical process an that of EXAFS: namely photoelectric effect at the corresponding atom and the interaction of photoelectron waves between the atom and neighboring atoms. In contrast with EXAFS, the method is available for only the crystalline materials, but shows effective advantages of the structure investigations by a use of diffraction: one is the site selectivity and the other is space selectivity. In the present study, demonstrations of a use of X-ray anomalous dispersion effect for the superstructure determination will be given for the case of PbZrO 3 , then recent trial investigations of DAFS in particular on the superlattice reflections will be introduced. In addition, we discuss about Forbidden Reflection near Edge Diffraction (FRED) which is more recently investigated as a new method of the structure analysis. (author)

Geometric treatment of conduction electron scattering by crystal lattice strains and dislocations

Energy Technology Data Exchange (ETDEWEB)

Viswanathan, Koushik, E-mail: kviswana@purdue.edu [Department of Physics, Purdue University, West Lafayette, Indiana 47907 (United States); Center for Materials Processing and Tribology, Purdue University, West Lafayette, Indiana 47907 (United States); Chandrasekar, Srinivasan [Center for Materials Processing and Tribology, Purdue University, West Lafayette, Indiana 47907 (United States)

2014-12-28

The problem of conduction electron scattering by inhomogeneous crystal lattice strains is addressed using a tight-binding formalism and the differential geometric treatment of deformations in solids. In this approach, the relative positions of neighboring atoms in a strained lattice are naturally taken into account, even in the presence of crystal dislocations, resulting in a fully covariant Schrödinger equation in the continuum limit. Unlike previous work, the developed formalism is applicable to cases involving purely elastic strains as well as discrete and continuous distributions of dislocations—in the latter two cases, it clearly demarcates the effects of the dislocation strain field and core. It also differentiates between elastic and plastic strain contributions, respectively. The electrical resistivity due to the strain field of edge dislocations is then evaluated and the resulting numerical estimate for Cu shows good agreement with reported experimental values. This indicates that the electrical resistivity of edge dislocations in metals is not entirely due to the core, contrary to current models. Application to the study of strain effects in constrained quantum systems is also discussed.

Dynamic nonlinear elasticity in geo materials

International Nuclear Information System (INIS)

Ostrovsky, L.A.; Johnson, P.A.

2001-01-01

The nonlinear elastic behaviour of earth materials is an extremely rich topic, one that has broad implications to earth and materials sciences, including strong ground motion, rock physics, nondestructive evaluation and materials science. The mechanical properties of rock appear to place it in a broader class of materials, it can be named the Structural nonlinear elasticity class (also Mesoscopic/nano scale elasticity, or MS/NSE class). These terms are in contrast to materials that display classical, Atomic Elasticity, such as most fluids and monocrystalline solids. The difference between these two categories of materials is both in intensity and origin of their nonlinear response. The nonlinearity of atomic elastic materials is due to the atomic/molecular lattice anharmonicity. The latter is relatively small because the intermolecular forces are extremely strong. In contrast, the materials considered below contain small soft features that it is called the bond system (cracks, grain contacts, dislocations, etc.) within a hard matrix and relaxation (slow dynamical effects) are characteristic, non of which appear in atomic elastic materials. The research begins with a brief historical background from nonlinear acoustics to the recent developments in rock nonlinearity. This is followed by an overview of some representative laboratory measurements which serve as primary indicators of nonlinear behaviour, followed by theoretical development, and finally, mention a variety of observations of nonlinearity under field conditions and applications to nondestructive testing of materials. The goal is not to survey all papers published in the are but to demonstrate some experimental and theoretical results and ideas that will the reader to become oriented in this broad and rapidly growing area bridging macro-, meso- and microscale (nano scale) phenomena in physics, materials science, and geophysics

Structure analysis of NiAl martensite

International Nuclear Information System (INIS)

Noda, Y.; Shapiro, S.M.; Shirane, G.; Yamada, Y.; Fuchizaki, K.; Tanner, L.E.

1989-01-01

Neutron elastic scattering experiments were performed in order to investigate the structure of the low temperature martensitic phase of Ni 62.5 Al 37.5 alloy. The average structure analyzed from the integrated intensity was approximately described by the (5,-2) structure proposed by Martynov et al. Small deviation from the exact (5,-2) model in the positional parameters and the anomalously large Debye-Waller factor were obtained. The observed satellite profiles show asymmetrical broadening, and the peak positions shift from the regular reciprocal lattice points. These anomalous features of scattering profiles were tentatively interpreted by introducing spatial modulation of the strain and order parameters. 12 refs., 2 figs., 1 tab

First-principles lattice-gas Hamiltonian revisited: O-Pd(100)

OpenAIRE

Kappus, Wolfgang

2016-01-01

The methodology of deriving an adatom lattice-gas Hamiltonian (LGH) from first principles (FP) calculations is revisited. Such LGH cluster expansions compute a large set of lateral pair-, trio-, quarto interactions by solving a set of linear equations modelling regular adatom configurations and their FP energies. The basic assumption of truncating interaction terms beyond fifth nearest neighbors does not hold when adatoms show longer range interactions, e.g. substrate mediated elastic interac...

Low-field anomalous magnetic phase in the kagome-lattice shandite Co3Sn2S2

OpenAIRE

Kassem, Mohamed A.; Tabata, Yoshikazu; Waki, Takeshi; Nakamura, Hiroyuki

2017-01-01

The magnetization process of single crystals of the metallic kagom\\'e ferromagnet Co3Sn2S2 was carefully measured via magnetization and AC susceptibility. Field-dependent anomalous transitions in the magnetization indicate a low-field unconventionally ordered phase stabilized just below TC. The magnetic phase diagrams in applied fields along different crystallographic directions were determined. The magnetic relaxation process studied in frequencies covering five orders of magnitude from 0.01...

Elastic properties of cubic perovskite BaRuO{sub 3} from first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Han Deming; Liu Xiaojuan; Lv Shuhui; Li Hongping [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Meng Jian, E-mail: jmeng@ciac.jl.c [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

2010-08-01

We present first-principles investigations on the structural and elastic properties of the cubic perovskite BaRuO{sub 3} using density-functional theory within both local density approximation (LDA) and generalized gradient approximation (GGA). Basic physical properties, such as lattice constant, shear modulus, elastic constants (C{sub ij}) are calculated. The calculated energy band structures show that the cubic perovskite BaRuO{sub 3} is metallic. We have also predicted the Young's modulus (Y), Poisson's ratio ({upsilon}), and Anisotropy factor (A).

Theoretical study of the elastic properties of titanium nitride

Institute of Scientific and Technical Information of China (English)

Jingdong CHEN; Yinglu ZHAO; Benhai YU; Chunlei WANG; Deheng SHI

2009-01-01

The equilibrium lattice parameter, relative volume V/Vo, elastic constants Cij, and bulk modulus of titanium nitride are successfully obtained using the ab initio plane-wave pseudopotential (PW-PP) method within the framework of density functional theory. The quasi-harmonic Debye model, using a set of total energy vs molar volume obtained with the PW-PP method, is applied to the study of the elastic properties and vibrational effects. We analyze the relationship between the bulk modulus and temperature up to 2000 K and obtain the relationship between bulk modulus B and pressure at different temperatures. It is found that the bulk modulus B increases monotonously with increasing pressure and decreases with increasing temperature. Moreover, the Debye temperature is determined from the non-equilibrium Gibbs func-tions.

Design of Chern insulating phases in honeycomb lattices

Science.gov (United States)

Pickett, Warren E.; Lee, Kwan-Woo; Pentcheva, Rossitza

2018-06-01

The search for robust examples of the magnetic version of topological insulators, referred to as quantum anomalous Hall insulators or simply Chern insulators, so far lacks success. Our groups have explored two distinct possibilities based on multiorbital 3d oxide honeycomb lattices. Each has a Chern insulating phase near the ground state, but materials parameters were not appropriate to produce a viable Chern insulator. Further exploration of one of these classes, by substituting open shell 3d with 4d and 5d counterparts, has led to realistic prediction of Chern insulating ground states. Here we recount the design process, discussing the many energy scales that are active in participating (or resisting) the desired Chern insulator phase.

Analysis of elastic strain and crystallographic texture in poled rhombohedral PZT ceramics

International Nuclear Information System (INIS)

Hall, D.A.; Steuwer, A.; Cherdhirunkorn, B.; Mori, T.; Withers, P.J.

2006-01-01

The elastic strain and crystallographic texture of a rhombohedral lead zirconate titanate ceramic have been characterised in the remanent state, after poling, using high-energy synchrotron X-ray diffraction as a function of the grain orientation ψ relative to the poling direction. It is observed that the (2 0 0) diffraction peak exhibits pronounced shifts as a function of ψ, indicating an elastic lattice strain, while others ({1 1 1}, {1 1 2} and {2 2 0}) show marked changes in intensity as a result of preferred ferroelectric domain orientation. It is shown that the (2 0 0) peak is not affected by the domain switching itself but rather acts like an elastic macrostrain sensor. A simple Eshelby analysis is used to demonstrate that both the elastic strain and texture vary systematically with ψ according to the factor (3cos 2 ψ - 1). This angular dependence is evaluated through micromechanics modelling. The physical meaning of the texture variations with ψ is also discussed

Topologically protected edge states for out-of-plane and in-plane bulk elastic waves

Science.gov (United States)

Huo, Shao-Yong; Chen, Jiu-Jiu; Huang, Hong-Bo

2018-04-01

Topological phononic insulators (TPnIs) show promise for application in the manipulation of acoustic waves for the design of low-loss transmission and perfectly integrated communication devices. Since solid phononic crystals exist as a transverse polarization mode and a mixed longitudinal-transverse polarization mode, the realization of topological edge states for both out-of-plane and in-plane bulk elastic waves is desirable to enhance the controllability of the edge waves in solid systems. In this paper, a two-dimensional (2D) solid/solid hexagonal-latticed phononic system that simultaneously supports the topologically protected edge states for out-of-plane and in-plane bulk elastic waves is investigated. Firstly, two pairs of two-fold Dirac cones, respectively corresponding to the out-of-plane and in-plane waves, are obtained at the same frequency by tuning the crystal parameters. Then, a strategy of zone folding is invoked to form double Dirac cones. By shrinking and expanding the steel scatterer, the lattice symmetry is broken, and band inversions induced, giving rise to an intriguing topological phase transition. Finally, the topologically protected edge states for both out-of-plane and in-plane bulk elastic waves, which can be simultaneously located at the frequency range from 1.223 to 1.251 MHz, are numerically observed. Robust pseudospin-dependent elastic edge wave propagation along arbitrary paths is further demonstrated. Our results will significantly broaden its practical application in the engineering field.

Study on lattice relaxation type transformation of (CuNi)sub(3-x) Alsub(1+x) alloy by inelastic neutron scattering

International Nuclear Information System (INIS)

Kajitani, Tsuyoshi; Hirano, Ken-ichi

1975-01-01

Inelastic scattering experiment was carried out on (Cu Ni)sub(3-x)Alsub(1+x) alloy at room temperature. The sample was annealed in vacuum for two hours at 950 0 C, quenched in water at 0 0 C, and aged for about one year. The energy spectrum of scattered neutrons was measured by T-O-F method. The measurement was performed for phonons at reciprocal lattice point (2/3--3/4, 2/3--3/4, 0) corresponding to the period of static shearing deformation. The up-scattering peak (Pq 1) observed at 2 theta = 38 0 in case of -14.5 0 of incident beam direction has width of 14.8 MeV, and is not considered to be a coherent inelastic scattering peak. The up-scattering peak (Pq 2) of 9 0 of incident beam direction has width of 17.3 MeV. The peak Pq 1 is considered as quasi-elastic scattering. The reflection point in the reciprocal lattice space of elastic scattering waves at 2 theta = 38 0 in case of -14.5 0 incident angle is near the [1 1 1] reciprocal lattice point of DO 3 structure. In case of 9 0 incident angle, it is near the [1 0 0] point. As conclusions, (1) it is not said that only the shear waves on the axis are freezed in the martensite transformation of (CuNi)sub(3-x)Alsub(1+x) alloy, (2) an L mode quasi-elastic peak is seen near the [1 1 1] reciprocal lattice point, (3) a T mode phonon peak is observed near the [1 1 0] reciprocal lattice point, and (4) T mode phonons are seen near [1/2, 1/2, 1/2]. (Kato, T.)

Nature of interstitially induced lattice strains

International Nuclear Information System (INIS)

Emin, D.

1978-01-01

The addition of interstitial atoms to a metal lattice has been likened to the addition of extra billiard balls to an array of tangentially touching billiard balls. In such a picture the increased clustering of interstitials can lead to the buildup of larger and larger strain fields which ultimately are associated with the production of broken bonds. Simple models of the strain fields associated with the addition of particles to a lattice in which the force exerted between the added atoms and host atoms is finite have been studied. From these studies one can define situations in which the billiard-ball approach has qualitative validity and those in which it is inappropriate. Basically, those situations in which the displacements of the host atoms can be represented as involving acoustic phonons yield long-range strain fields analogous to those of the billiard-ball model with the radius of the extra billiard ball being determined by the stiffness of the host lattice and the forces between the added atom and the surrounding host atoms. If the displacements produced by the added atoms are represented as involving primarily optical phonons the displacement pattern is short-ranged and not described by the usual elasticity theory. For example, Vegard's law does not apply in these instances. Such concerns arise in considering the strains induced by interstitial helium in tritides

Study on Influence of Tube Arrays on Fluid Elastic Instability

Science.gov (United States)

Ishihara, Kunihiko; Kitayama, Gen

The tube bank is used in boilers, heat exchangers in power plants and steam generators in nuclear plants. These tubes sometimes vibrate violently and come to the fatigue failure due to the flow induced vibration which is caused by the cross flow. This phenomenon is that the large vibrations arise at the critical flow velocity and it is called fluid elastic instability. However the relation between the onset velocity of fluid elastic instability and the tube array's geometry has not been clarified sufficiently. There is a few reference related to the relation between the pitch to diameter ratio and the onset velocity even in the lattice arrays. In this paper, the influence of tube arrays on fluid elastic instability is examined by experiments. As a result, it is clarified that the tube vibrations become large as T/D increases and L/D decreases, and the tube vibrations strongly depend on the dynamic characteristics of tubes such as the natural frequency and the damping ability.

Bistability in a self-assembling system confined by elastic walls: Exact results in a one-dimensional lattice model

Energy Technology Data Exchange (ETDEWEB)

Pȩkalski, J.; Ciach, A. [Institute of Physical Chemistry, Polish Academy of Sciences, 01-224 Warszawa (Poland); Almarza, N. G. [Instituto de Química Física Rocasolano, CSIC, Serrano 119, E-28006 Madrid (Spain)

2015-01-07

The impact of confinement on self-assembly of particles interacting with short-range attraction and long-range repulsion potential is studied for thermodynamic states corresponding to local ordering of clusters or layers in the bulk. Exact and asymptotic expressions for the local density and for the effective potential between the confining surfaces are obtained for a one-dimensional lattice model introduced by J. Pȩkalski et al. [J. Chem. Phys. 138, 144903 (2013)]. The simple asymptotic formulas are shown to be in good quantitative agreement with exact results for slits containing at least 5 layers. We observe that the incommensurability of the system size and the average distance between the clusters or layers in the bulk leads to structural deformations that are different for different values of the chemical potential μ. The change of the type of defects is reflected in the dependence of density on μ that has a shape characteristic for phase transitions. Our results may help to avoid misinterpretation of the change of the type of defects as a phase transition in simulations of inhomogeneous systems. Finally, we show that a system confined by soft elastic walls may exhibit bistability such that two system sizes that differ approximately by the average distance between the clusters or layers are almost equally probable. This may happen when the equilibrium separation between the soft boundaries of an empty slit corresponds to the largest stress in the confined self-assembling system.

Renewal-anomalous-heterogeneous files

International Nuclear Information System (INIS)

Flomenbom, Ophir

2010-01-01

Renewal-anomalous-heterogeneous files are solved. A simple file is made of Brownian hard spheres that diffuse stochastically in an effective 1D channel. Generally, Brownian files are heterogeneous: the spheres' diffusion coefficients are distributed and the initial spheres' density is non-uniform. In renewal-anomalous files, the distribution of waiting times for individual jumps is not exponential as in Brownian files, yet obeys: ψ α (t)∼t -1-α , 0 2 >, obeys, 2 >∼ 2 > nrml α , where 2 > nrml is the MSD in the corresponding Brownian file. This scaling is an outcome of an exact relation (derived here) connecting probability density functions of Brownian files and renewal-anomalous files. It is also shown that non-renewal-anomalous files are slower than the corresponding renewal ones.

Systematic study of the lattice dynamics of the uranium rocksalt-structure compounds

International Nuclear Information System (INIS)

Jackman, J.A.; Holden, T.M.; Buyers, W.J.L.; DuPlessis, P. de V.; Vogt, O.; Genossar, J.

1986-01-01

The phonon-dispersion relations of USe and UTe have been determined by the inelastic scattering of thermal neutrons. All existing phonon measurements for the UX series, viz., UC, UN, UAs, USb, US, USe, and UTe, have been fitted to the rigid-ion and shell models and dispersion relations have been predicted for UP. The U-X force constants dominate the lattice dynamics and are nearly constant for the series, whereas the U-U force constants vary systematically from being large and positive for the compounds with the smallest lattice parameter to being negative for the chalcogenide series. The negative U-U force constant is identified with destabilizing f-d interactions. Elastic constants, derived from the slopes of the dispersion relations and from ultrasound velocity measurements, have been determined. The bulk modulus decreases unusually rapidly as the lattice parameter increases and is in fair agreement with band-structure calculations

A free wake vortex lattice model for vertical axis wind turbines: Modeling, verification and validation

International Nuclear Information System (INIS)

Meng, Fanzhong; Schwarze, Holger; Vorpahl, Fabian; Strobel, Michael

2014-01-01

Since the 1970s several research activities had been carried out on developing aerodynamic models for Vertical Axis Wind Turbines (VAWTs). In order to design large VAWTs of MW scale, more accurate aerodynamic calculation is required to predict their aero-elastic behaviours. In this paper, a 3D free wake vortex lattice model for VAWTs is developed, verified and validated. Comparisons to the experimental results show that the 3D free wake vortex lattice model developed is capable of making an accurate prediction of the general performance and the instantaneous aerodynamic forces on the blades. The comparison between momentum method and the vortex lattice model shows that free wake vortex models are needed for detailed loads calculation and for calculating highly loaded rotors

Elastic and thermal properties of silicon compounds from first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Hou, Haijun; Zhu, H.J. [Yancheng Institute of Technology (China). School of Materials Engineering; Cheng, W.H. [Yancheng Institute of Technology (China). Dept. of Light Chemical Engineering; Xie, L.H. [Sichuan Normal Univ., Chengdu (China). Inst. of Solid State Physics and School of Physics and Electronic Engineering

2016-11-01

The structural and elastic properties of V-Si (V{sub 3}Si, VSi{sub 2}, V{sub 5}Si{sub 3}, and V{sub 6}Si{sub 5}) compounds are studied by using first-principles method. The calculated equilibrium lattice parameters and formation enthalpy are in good agreement with the available experimental data and other theoretical results. The calculated results indicate that the V-Si compounds are mechanically stable. Elastic properties including bulk modulus, shear modulus, Young's modulus, and Poisson's ratio are also obtained. The elastic anisotropies of V-Si compounds are investigated via the three-dimensional (3D) figures of directional dependences of reciprocals of Young's modulus. Finally, based on the quasi-harmonic Debye model, the internal energy, Helmholtz free energy, entropy, heat capacity, thermal expansion coefficient, Grueneisen parameter, and Debye temperature of V-Si compounds have been calculated.

Breakup threshold anomaly in the elastic scattering of 6Li on 27Al

International Nuclear Information System (INIS)

Figueira, J. M.; Niello, J. O. Fernandez; Abriola, D.; Arazi, A.; Capurro, O. A.; Barbara, E. de; Marti, G. V.; Heimann, D. Martinez; Negri, A. E.; Pacheco, A. J.; Padron, I.; Gomes, P. R. S.; Lubian, J.; Correa, T.; Paes, B.

2007-01-01

Elastic scattering of the weakly bound 6 Li on 27 Al was measured at near-barrier energies. The data analysis was performed using a Woods-Saxon shape optical potential and also using the double-folding Sao Paulo potential. The results show the presence of the breakup threshold anomaly (BTA), an anomalous behavior when compared with the scattering of tightly bound nuclei. This behavior is attributed to a repulsive polarization potential produced by the coupling to the continuum breakup states

Fractional Diffusion Equations and Anomalous Diffusion

Science.gov (United States)

Evangelista, Luiz Roberto; Kaminski Lenzi, Ervin

2018-01-01

Preface; 1. Mathematical preliminaries; 2. A survey of the fractional calculus; 3. From normal to anomalous diffusion; 4. Fractional diffusion equations: elementary applications; 5. Fractional diffusion equations: surface effects; 6. Fractional nonlinear diffusion equation; 7. Anomalous diffusion: anisotropic case; 8. Fractional Schrödinger equations; 9. Anomalous diffusion and impedance spectroscopy; 10. The Poisson–Nernst–Planck anomalous (PNPA) models; References; Index.

Lattice Boltzmann model for three-phase viscoelastic fluid flow

Science.gov (United States)

Xie, Chiyu; Lei, Wenhai; Wang, Moran

2018-02-01

A lattice Boltzmann (LB) framework is developed for simulation of three-phase viscoelastic fluid flows in complex geometries. This model is based on a Rothman-Keller type model for immiscible multiphase flows which ensures mass conservation of each component in porous media even for a high density ratio. To account for the viscoelastic effects, the Maxwell constitutive relation is correctly introduced into the momentum equation, which leads to a modified lattice Boltzmann evolution equation for Maxwell fluids by removing the normal but excess viscous term. Our simulation tests indicate that this excess viscous term may induce significant errors. After three benchmark cases, the displacement processes of oil by dispersed polymer are studied as a typical example of three-phase viscoelastic fluid flow. The results show that increasing either the polymer intrinsic viscosity or the elastic modulus will enhance the oil recovery.

Anomalous high-frequency wave activity flux preceding anomalous changes in the Northern polar jet

Science.gov (United States)

Nakamura, Mototaka; Kadota, Minoru; Yamane, Shozo

2010-05-01

Anomalous forcing by quasi-geostrophic (QG) waves has been reported as an important forcing factor in the Northern Annular Mode (NAM) in recent literatures. In order to shed a light on the dynamics of the NAM from a different angle, we have examined anomalous behavior of the winter jets in the upper troposphere and stratosphere by focusing our diagnosis on not the anomalous geopotential height (Z) itself, but on the anomalous change in the Z (dZ) between two successive months and preceding transient QG wave activity flux during the cold season. We calculated EOFs of dZ between two successive months at 150hPa for a 46-year period, from 1958 to 2003, using the monthly mean NCEP reanalysis data. We then formed anomaly composites of changes in Z and the zonal velocity (U), as well as the preceding and following wave activity flux, Z, U, and temperature at various heights, for both positive and negative phases of the first EOF. For the wave forcing fields, we adopted the diagnostic system for the three-dimensional QG transient wave activity flux in the zonally-varying three-dimensional mean flow developed by Plumb (1986) with a slight modification in its application to the data. Our choice of the Plumb86 is based on the fact that the winter mean flow in the Northern Hemisphere is characterized by noticeable zonal asymmetry, and has a symbiotic relationship with waves in the extra-tropics. The Plumb86 flux was calculated for high-frequency (period of 2 to 7 days) and low-frequency (period of 10 to 20 days) waves with the ultra-low-frequency (period of 30 days or longer) flow as the reference state for each time frame of the 6 hourly NCEP reanalysis data from 1958 to 2003. By replacing the mean flow with the ultra-low-frequency flow in the application of the Plumb86 formula, the flux fields were calculated as time series at 6 hour intervals. The time series of the wave activity flux was then averaged for each month. The patterns of composited anomalous dZ and dU clearly

Anomalous diffusion in niobium. Study of solute diffusion mechanism of iron in niobium

International Nuclear Information System (INIS)

Ablitzer, D.

1977-01-01

In order to explain anomalously high diffusion velocities observed for iron diffusion in niobium, the following parameters were measured: isotope effect, b factor (which expresses the effect of iron on niobium self-diffusion), self-diffusion coefficient of niobium, solute diffusion coefficient of iron in niobium. The results obtained show that neither pure vacancy models, nor diffusion in the lattice defects (dislocations, sub-boundaries, grain boundaries), nor pure interstitialy mechanisms, nor simple or cyclic exchange mechanisms agree with experiments. A mechanism is proposed which considers an equilibrium between substitution iron atoms and interstitial iron atoms. The diffusion of iron then occurs through interstitial vancancy pairs [fr

Structure, elastic properties and phase stability of Cr1-xAlxN

International Nuclear Information System (INIS)

Mayrhofer, P.H.; Music, D.; Reeswinkel, Th.; Fuss, H.-G.; Schneider, J.M.

2008-01-01

The effect of composition and metal sublattice population on the phase stability, structure and elastic properties of cubic (c), hexagonal (h) and orthorhombic spin-polarized Cr 1-x Al x N was studied using ab initio calculations. Excellent correlation between ab initio and experimentally obtained lattice parameters and elastic constants was obtained. The energy of formation suggests that the cubic phase can be stabilized for x in the range 0.48-0.75, depending on the metal sublattice population. The broad range of x, which is also observed in experiments, can be understood by considering the Al distribution induced changes in the configurational contribution to the total energy

High pressure and temperature induced structural and elastic properties of lutetium chalcogenides

Science.gov (United States)

Shriya, S.; Kinge, R.; Khenata, R.; Varshney, Dinesh

2018-04-01

The high-pressure structural phase transition and pressure as well temperature induced elastic properties of rock salt to CsCl structures in semiconducting LuX (X = S, Se, and Te) chalcogenides compound have been performed using effective interionic interaction potential with emphasis on charge transfer interactions and covalent contribution. Estimated values of phase transition pressure and the volume discontinuity in pressure-volume phase diagram indicate the structural phase transition from ZnS to NaCl structure. From the investigations of elastic constants the pressure (temperature) dependent volume collapse/expansion, melting temperature TM, Hardness (HV), and young modulus (E) the LuX lattice infers mechanical stiffening, and thermal softening.

Neutron Diffusion in a Space Lattice of Fissionable and Absorbing Materials

Science.gov (United States)

Feynman, R. P.; Welton, T. A.

1946-08-27

Methods are developed for estimating the effect on a critical assembly of fabricating it as a lattice rather than in the more simply interpreted homogeneous manner. An idealized case is discussed supposing an infinite medium in which fission, elastic scattering and absorption can occur, neutrons of only one velocity present, and the neutron m.f.p. independent of position and equal to unity with the unit of length used.

ELSHIM: Program to simulate elastic processes of heavy ions

International Nuclear Information System (INIS)

Van Ginneken, A.

1992-05-01

The Monte Carlo code ELSIM simulates elastic and quasi-elastic, i.e., of limited energy loss, processes of high energy hadrons in a thick target with particular attention to scattering off edges and the like. Its main applications concern accelerator beam loss, beam scraping, etc. Particles which only participate in elastic processes and are then reflected back into the aperture may cause problems elsewhere in the accelerator lattice -- often far removed from where the beam loss occurs. Therefore ELSIM is often run in conjunction with an accelerator tracking program. It can also be used as the first stage in energy deposition studies. For example, when beam is lost in a superconducting magnet ELSIM can provide energy deposition by the incident particles along with a file specifying coordinates and momenta of the inelastic interactions. The latter can then be processed by a program such as CASIM to complete the energy deposition simulation. A new version of this program, called ELSHIM is introduced here which extends ELSIM to include heavy ions as projectiles

Local interaction simulation approach to modelling nonclassical, nonlinear elastic behavior in solids.

Science.gov (United States)

Scalerandi, Marco; Agostini, Valentina; Delsanto, Pier Paolo; Van Den Abeele, Koen; Johnson, Paul A

2003-06-01

Recent studies show that a broad category of materials share "nonclassical" nonlinear elastic behavior much different from "classical" (Landau-type) nonlinearity. Manifestations of "nonclassical" nonlinearity include stress-strain hysteresis and discrete memory in quasistatic experiments, and specific dependencies of the harmonic amplitudes with respect to the drive amplitude in dynamic wave experiments, which are remarkably different from those predicted by the classical theory. These materials have in common soft "bond" elements, where the elastic nonlinearity originates, contained in hard matter (e.g., a rock sample). The bond system normally comprises a small fraction of the total material volume, and can be localized (e.g., a crack in a solid) or distributed, as in a rock. In this paper a model is presented in which the soft elements are treated as hysteretic or reversible elastic units connected in a one-dimensional lattice to elastic elements (grains), which make up the hard matrix. Calculations are performed in the framework of the local interaction simulation approach (LISA). Experimental observations are well predicted by the model, which is now ready both for basic investigations about the physical origins of nonlinear elasticity and for applications to material damage diagnostics.

Thermal expansion and temperature variation of elastic constants of Li(H,D) and Na(H,D) systems

International Nuclear Information System (INIS)

Islam, A.K.M.A.; Hoque, M.T.

1994-11-01

An analysis of thermal expansion of Li(H,D) systems up to melting temperature has been performed using the theory of anharmonic lattice. The study has for the first time been extended to Na(H,D) systems where very little or no data are available. The calculated lattice constants of Li(H,D) systems show quite good agreement with experiment. The success of the present calculation with Li(H,D) and room temperature lattice constant data for Na(H,D) given an indication of the reliability of the computed lattice constants and thermal expansion coefficients for Na(H,D) systems. The study also allows us to predict the hitherto unknown lattice constants of Na(H,D) crystal at 0K. The temperature dependence of elastic constants for Li(H,D) systems has also been evaluated. Comparison with measurements shows the reliability of the present calculations. (author). 45 refs, 4 figs

Interesting low temperature magneto-elastic behavior of a FINEMET metglass

Directory of Open Access Journals (Sweden)

Md. Sarowar Hossain

2017-11-01

Full Text Available We here report on studies of low temperature dynamic elastic properties of an amorphous ribbon of a FINEMET alloy, with and without magnetic field. Characterization with XRD and SEM showed that the sample was partially amorphous. Magnetization study showed the system as ferromagnetic and there was no transition in resistivity, anomalous peaks in sound velocity and internal friction measurements, with a small hysteresis and strong magnetic field dependence, were found in this temperature range. After analysing the data we concluded that it was magnetic in origin. This is reported for the first time in the FINEMET system.

Load-Direction-Derived Support Structures for Wind Turbines: A Lattice Tower Concept and Preparations for Future Certifications: Preprint

Energy Technology Data Exchange (ETDEWEB)

Jonkman, Jason [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Damiani, Rick R [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Struve, Achim [University of Applied Sciences Flensburg; Faber, Torsten [University of Applied Sciences Flensburg; Ummenhofer, Thomas [Karlsruhe Institute of Technology

2017-11-07

The call for more cost-effective and environmentally friendly tower concepts is motivated by tower costs [1] and tower CO2-emission contributions [2], which are high relative to the whole wind turbine system. The proposed rotatable tower concept with yaw bearing at the bottom instead of the top of the tower will provide beneficial economic and environmental impacts to the turbine system. This wind alignment capability indicates a load-direction-derived tower design. By combining this approach with a lattice concept, large material and cost savings for the tower can be achieved. This paper presents a way to analyze and verify the proposed design through aero-servo-elastic simulations, which make future certifications of rotatable tower concepts viable. For this reason, the state-of-the-art, open-source lattice-tower finite-element-method (FEM) module SubDyn [10], developed by the National Renewable Energy Laboratory, has been modified to account for arbitrary member cross-sections. Required changes in the beam element stiffness and mass matrix formulation took place according to an energy method [13]. All validated adaptions will be usable within the aero-servo-elastic simulation framework FAST and are also beneficial for other nonrotatable lattice structures.

Investigations of structural, elastic, electronic and thermodynamic properties of lutetium filled skutterudite LuFe4P12 under pressure effect: FP-LMTO method

Directory of Open Access Journals (Sweden)

Boudia Keltouma

2015-12-01

Full Text Available Structural, elastic, electronic and thermodynamic properties of ternary cubic filled skutterudite compound were calculated. We have computed the elastic modulus and its pressure dependence. From the elastic parameter behavior, it is inferred that this compound is elastically stable and ductile in nature. Through the quasi-harmonic Debye model, in which phononic effects are considered, the effect of pressure P (0 to 50 GPa and temperature T (0 to 3000 °C on the lattice constant, elastic parameters, bulk modulus B, heat capacity, thermal expansion coefficient α, internal energy U, entropy S, Debye temperature θD, Helmholtz free energy A, and Gibbs free energy G are investigated.

A Hybrid Strategy for the Lattice Evaluation of the Leading Order Hadronic Contribution to (g - 2)μ

Science.gov (United States)

Golterman, Maarten; Maltman, Kim; Peris, Santiago

2016-04-01

The leading-order hadronic contribution to the muon anomalous magentic moment, aμLO,HVP, can be expressed as an integral over Euclidean Q2 of the vacuum polarization function. We point out that a simple trapezoid-rule numerical integration of the current lattice data is good enough to produce a result with a less-than-1% error for the contribution from the interval above Q2 ≳ 0.1 - 0.2GeV2. This leaves the interval below this value of Q2 as the one to focus on in the future. In order to achieve an accurate result also in this lower window Q2 ≲ 0.1 - 0.2GeV2, we indicate the usefulness of three possible tools. These are: Padé Approximants, polynomials in a conformal variable and a NNLO Chiral Perturbation Theory representation supplemented by a Q4 term. The combination of the numerical integration in the upper Q2 interval together with the use of these tools in the lower Q2 interval provides a hybrid strategy which looks promising as a means of reaching the desired goal on the lattice of a sub-percent precision in the hadronic vacuum polarization contribution to the muon anomalous magnetic moment.

PAF: A software tool to estimate free-geometry extended bodies of anomalous pressure from surface deformation data

Science.gov (United States)

Camacho, A. G.; Fernández, J.; Cannavò, F.

2018-02-01

We present a software package to carry out inversions of surface deformation data (any combination of InSAR, GPS, and terrestrial data, e.g., EDM, levelling) as produced by 3D free-geometry extended bodies with anomalous pressure changes. The anomalous structures are described as an aggregation of elementary cells (whose effects are estimated as coming from point sources) in an elastic half space. The linear inverse problem (considering some simple regularization conditions) is solved by means of an exploratory approach. This software represents the open implementation of a previously published methodology (Camacho et al., 2011). It can be freely used with large data sets (e.g. InSAR data sets) or with data coming from small control networks (e.g. GPS monitoring data), mainly in volcanic areas, to estimate the expected pressure bodies representing magmatic intrusions. Here, the software is applied to some real test cases.

Structural, electronic and elastic properties of heavy fermion YbRh2 Laves phase compound

Science.gov (United States)

Pawar, Harsha; Shugani, Mani; Aynyas, Mahendra; Sanyal, Sankar P.

2018-05-01

The structural, electronic and elastic properties of YbRh2 Laves phase intermetallic compound which crystallize in cubic (MgCu2-type) structure have been investigated using ab-initio full potential linearized augmented plane wave (FP- LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B') are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for this compound which obeys the stability criteria for cubic system.

Magnetic order and Kondo effect in the Anderson-lattice model

International Nuclear Information System (INIS)

Bernhard, B.H.; Aguiar, C.; Kogoutiouk, I.; Coqblin, B.

2007-01-01

The Anderson-lattice model has been extensively developed to account for the properties of many anomalous rare-earth compounds and in particular for the competition between the Kondo effect and an antiferromagnetic (AF) phase in a cubic lattice. Here we apply the higher-order decoupling of the equations of motion for the Green Functions (GF) introduced in [H.G. Luo, S.J. Wang, Phys. Rev. B 62 (2000) 1485]. We obtain an improved description of the phase diagram, where the AF phase subsists in a smaller range of the model parameters. As higher-order GF are included in the chain of equations, we are able to calculate directly the local spin-flip correlation function † ↓ d † ↑ f ↑ d ↓ >. As a further improvement to the previous approximation of [B.H. Bernhard, C. Aguiar, B. Coqblin, Physica B 378-380 (2006) 712], we obtain a reduced range of existence for the AF phase for the symmetric half-filled case and then we discuss the competition between the AF order and the Kondo effect as a function of the band filling

Mass-stiffness substructuring of an elastic metasurface for full transmission beam steering

Science.gov (United States)

Lee, Hyuk; Lee, Jun Kyu; Seung, Hong Min; Kim, Yoon Young

2018-03-01

The metasurface concept has a significant potential due to its novel wavefront-shaping functionalities that can be critically useful for ultrasonic and solid wave-based applications. To achieve the desired functionalities, elastic metasurfaces should cover full 2π phase shift and also acquire full transmission within subwavelength scale. However, they have not been explored much with respect to the elastic regime, because the intrinsic proportionality of mass-stiffness within the continuum elastic media causes an inevitable trade-off between abrupt phase shift and sufficient transmission. Our goal is to engineer an elastic metasurface that can realize an inverse relation between (amplified) effective mass and (weakened) stiffness in order to satisfy full 2π phase shift as well as full transmission. To achieve this goal, we propose a continuum elastic metasurface unit cell that is decomposed into two substructures, namely a mass-tuning substructure with a local dipolar resonator and a stiffness-tuning substructure composed of non-resonant multiply-perforated slits. We demonstrate analytically, numerically, and experimentally that this unique substructured unit cell can satisfy the required phase shift with high transmission. The substructuring enables independent tuning of the elastic properties over a wide range of values. We use a mass-spring model of the proposed continuum unit cell to investigate the working mechanism of the proposed metasurface. With the designed metasurface consisting of substructured unit cells embedded in an aluminum plate, we demonstrate that our metasurface can successfully realize anomalous steering and focusing of in-plane longitudinal ultrasonic beams. The proposed substructuring concept is expected to provide a new principle for the design of general elastic metasurfaces that can be used to efficiently engineer arbitrary wave profiles.

First-Principles and Thermodynamic Simulation of Elastic Stress Effect on Energy of Hydrogen Dissolution in Alpha Iron

Science.gov (United States)

Rakitin, M. S.; Mirzoev, A. A.; Mirzaev, D. A.

2018-04-01

Mobile hydrogen, when dissolving in metals, redistributes due to the density gradients and elastic stresses, and enables destruction processes or phase transformations in local volumes of a solvent metal. It is rather important in solid state physics to investigate these interactions. The first-principle calculations performed in terms of the density functional theory, are used for thermodynamic simulation of the elastic stress effect on the energy of hydrogen dissolution in α-Fe crystal lattice. The paper presents investigations of the total energy of Fe-H system depending on the lattice parameter. As a result, the relation is obtained between the hydrogen dissolution energy and stress. A good agreement is shown between the existing data and simulation results. The extended equation is suggested for the chemical potential of hydrogen atom in iron within the local stress field. Two parameters affecting the hydrogen distribution are compared, namely local stress and phase transformations.

Non-conservative dynamics of lattice sites near a migrating interface in a diffusional phase transformation

International Nuclear Information System (INIS)

Yang, T.; Gao, Y.; Wang, D.; Shi, R.P.; Chen, Z.; Nie, J.F.; Li, J.; Wang, Y.

2017-01-01

Migration of phase boundaries in crystalline solids eliminates one set of lattice sites and establishes another. Using a combination of phase field crystal modeling and crystallographic analysis, we present here a complete atomistic description of the migration mechanism of a high-index planar interface during a diffusional hexagon to square phase transformation. In particular we show that a terrace-step interface advances macroscopically in the form of growth ledges, while microscopically its migration occurs by opposite shearing on the terraces and a one-to-two splitting of lattice sites, giving a new class of lattice site correspondence and superabundant vacancies. In addition, a new approach capable of finding a critical nucleus with atomic resolution is developed by combining the phase field crystal energetics with the free-end nudged elastic band algorithm.

RVB signatures in the spin dynamics of the square-lattice Heisenberg antiferromagnet

Science.gov (United States)

Ghioldi, E. A.; Gonzalez, M. G.; Manuel, L. O.; Trumper, A. E.

2016-03-01

We investigate the spin dynamics of the square-lattice spin-\\frac{1}{2} Heisenberg antiferromagnet by means of an improved mean-field Schwinger boson calculation. By identifying both, the long-range Néel and the RVB-like components of the ground state, we propose an educated guess for the mean-field magnetic excitation consisting on a linear combination of local and bond spin flips to compute the dynamical structure factor. Our main result is that when this magnetic excitation is optimized in such a way that the corresponding sum rule is fulfilled, we recover the low- and high-energy spectral weight features of the experimental spectrum. In particular, the anomalous spectral weight depletion at (π,0) found in recent inelastic neutron scattering experiments can be attributed to the interference of the triplet bond excitations of the RVB component of the ground state. We conclude that the Schwinger boson theory seems to be a good candidate to adequately interpret the dynamic properties of the square-lattice Heisenberg antiferromagnet.

The effect of antiphase boundaries on the elastic properties of Ni–Mn–Ga austenite and premartensite

International Nuclear Information System (INIS)

Seiner, Hanuš; Sedlák, Petr; Bodnárová, Lucie; Landa, Michal; Drahokoupil, Jan; Kopecký, Vít; Kopeček, Jaromír; Heczko, Oleg

2013-01-01

The evolution of elastic properties with temperature and magnetic field was studied in two differently heat-treated single crystals of the Ni–Mn–Ga magnetic shape memory alloy using resonant ultrasound spectroscopy. Quenching and slow furnace cooling were used to obtain different densities of antiphase boundaries. We found that the crystals exhibited pronounced differences in the c′ elastic coefficient and related shear damping in high-temperature ferromagnetic phases (austenite and premartensite). The difference can be ascribed to the formation of fine magnetic domain patterns and pinning of the magnetic domain walls on antiphase boundaries in the material with a high density of antiphase boundaries due to quenching. The fine domain pattern arising from mutual interactions between antiphase boundaries and ferromagnetic domain walls effectively reduces the magnetocrystalline anisotropy and amplifies the contribution of magnetostriction to the elastic response of the material. As a result, the anomalous elastic softening prior to martensite transformation is significantly enhanced in the quenched sample. Thus, for any comparison of experimental data and theoretical calculations the microstructural changes induced by specific heat treatment must be taken into account. (paper)

Anomalous electrical resistivity and Hall constant of Anderson lattice with finite f-band width

International Nuclear Information System (INIS)

Panwar, Sunil; Singh, Ishwar

2002-01-01

We study here an extension of the periodic Anderson model by considering finite f-band width. A variational method is used to study the temperature dependence of electronic transport properties of Anderson lattice for different values of the f-band width. The electrical resistivity ρ(T) and Hall constant R H (T) calculated show qualitatively the features experimentally observed in heavy fermion materials. We find that as f-band width increases, the low temperature peak in ρ(T) disappears, while the low-temperature peak in R H (T) becomes sharper. (author)

Measurement of the elastic tensor of SmScO3 and NdScO3 using resonant ultrasound spectroscopy with ab initio calculations

Directory of Open Access Journals (Sweden)

K. A. Pestka II

2011-09-01

Full Text Available The complete elastic tensors of SmScO3 and NdScO3 were measured using resonant ultrasound spectroscopy (RUS in combination with ab-initio calculations. Measurement of the elastic tensor of these recently synthesized single crystal RE scandates is essential for understanding dynamic lattice applications including phonon confinement, strain induced thin film growth and superlattice construction. On average, the experimental elastic constants differed by less than 5% of the theoretical values, further validating the accuracy of modern ab-initio calculations as a means of estimating the initial elastic constants used in RUS measurements.

Lattice dynamics study of low energy guest–host coupling in clathrate hydrate

International Nuclear Information System (INIS)

Yang Yuehai; Dong Shunle; Wang Lin

2008-01-01

Our lattice dynamics simulation of Xe-hydrate with four-site TIP4P oxygen-shell model can accurately reproduce each peak position in the inelastic incoherent neutron scattering spectrum at the acoustic band (below 15meV) and yield correct relative intensity. Based on the results, the uncertain profile at ∼6 meV is assigned to anharmonic guest modes coupled strongly to small cages. Blue shift is proposed in phonon dispersion sheet in the case of anticrossing and found to be an evident signal for guest-host coupling that explains the anomalous thermal conductivity of clathrate hydrate

X-ray diffraction measurements to determine longitudinal and transverse lattice deformation in shocked LiF

International Nuclear Information System (INIS)

Rigg, P.A.; Gupta, Y.M.

2000-01-01

Experimental methods using both single and multiple x-ray diffraction were developed to determine real time, lattice deformation in directions parallel and perpendicular to shock wave propagation in single crystals subjected to plate impact loading. Initial experiments used single diffraction to monitor the interplanar spacing change, parallel to the shock propagation direction, in LiF crystals shocked along the [111] and [100] directions. These measurements, in combination with the macroscopic volume compression, were used to determine the state of compression of the unit cell. Subsequent development of a multiple diffraction technique permitted simultaneous determination of both the longitudinal and transverse lattice deformations. The present results showed that shock compression, below 4 GPa, along the [111] orientation--which results in macroscopic elastic deformation - produced one-dimensional unit cell compression. In contrast, shock compression along the [100] orientation - which results in macroscopic elastic-plastic deformation--produced isotropic unit cell compression. The implications of the present results and the ability to make quantitative x-ray diffraction measurements under shock loading are discussed

On Traveling Waves in Lattices: The Case of Riccati Lattices

Science.gov (United States)

Dimitrova, Zlatinka

2012-09-01

The method of simplest equation is applied for analysis of a class of lattices described by differential-difference equations that admit traveling-wave solutions constructed on the basis of the solution of the Riccati equation. We denote such lattices as Riccati lattices. We search for Riccati lattices within two classes of lattices: generalized Lotka-Volterra lattices and generalized Holling lattices. We show that from the class of generalized Lotka-Volterra lattices only the Wadati lattice belongs to the class of Riccati lattices. Opposite to this many lattices from the Holling class are Riccati lattices. We construct exact traveling wave solutions on the basis of the solution of Riccati equation for three members of the class of generalized Holling lattices.

LATTICE: an interactive lattice computer code

International Nuclear Information System (INIS)

Staples, J.

1976-10-01

LATTICE is a computer code which enables an interactive user to calculate the functions of a synchrotron lattice. This program satisfies the requirements at LBL for a simple interactive lattice program by borrowing ideas from both TRANSPORT and SYNCH. A fitting routine is included

Mechanism of fast lattice diffusion of hydrogen in palladium: Interplay of quantum fluctuations and lattice strain

Science.gov (United States)

Kimizuka, Hajime; Ogata, Shigenobu; Shiga, Motoyuki

2018-01-01

Understanding the underlying mechanism of the nanostructure-mediated high diffusivity of H in Pd is of recent scientific interest and also crucial for industrial applications. Here, we present a decisive scenario explaining the emergence of the fast lattice-diffusion mode of interstitial H in face-centered cubic Pd, based on the quantum mechanical natures of both electrons and nuclei under finite strains. Ab initio path-integral molecular dynamics was applied to predict the temperature- and strain-dependent free energy profiles for H migration in Pd over a temperature range of 150-600 K and under hydrostatic tensile strains of 0.0%-2.4%; such strain conditions are likely to occur in real systems, especially around the elastic fields induced by nanostructured defects. The simulated results revealed that, for preferential H location at octahedral sites, as in unstrained Pd, the activation barrier for H migration (Q ) was drastically increased with decreasing temperature owing to nuclear quantum effects. In contrast, as tetrahedral sites increased in stability with lattice expansion, nuclear quantum effects became less prominent and ceased impeding H migration. This implies that the nature of the diffusion mechanism gradually changes from quantum- to classical-like as the strain is increased. For H atoms in Pd at the hydrostatic strain of ˜2.4 % , we determined that the mechanism promoted fast lattice diffusion (Q =0.11 eV) of approximately 20 times the rate of conventional H diffusion (Q =0.23 eV) in unstrained Pd at a room temperature of 300 K.

Magnetic and elastic properties of the antiferromagnet uranium mononitride

International Nuclear Information System (INIS)

Van Doorn, C.F.

1976-10-01

The magnetic and elastic properties of antiferromagnetic uranium mononitride single crystals are studied in the thesis from the measurements of the temperature dependences of the magnetic susceptibility, electrical resistivity and elastic constants. The elastic constants C 11 , C 12 and C 44 were determined in the temperature interval 4 to 300 K by ultrasonic measurements of the five possible wave velocities in the [100] and [110] directions. A test for internal consistency was also made. A dip of about 9 percent occurs in C 11 at a temperature of 5 to 6 K lower than the Neel temperature T(N) (equals about 53 K). Starting at T(N), a renormalization in C 44 is proportional to the square of the sublattice magnetization also occurs. Both these results agree with model calculations which include spin-phonon interactions. The investigation of this anomaly was extended by measuring the electrical resistivity of a sample cut from the same crystal as that on which the elasticity was measured. No anomalous behavior was observed at the temperature where C 11 displays its anomaly. However, a discontinuity in the temperature derivative of the resistance was found at T(N). The possible effect of a magnetic field on the resistivity, as well as on the elasticity, was investigated without any measurable effect. The magnetic susceptibility was measured with a Foner magnetometer between 4 and 1 000 K. It was found that above the Neel temperature the paramagnetic susceptibility followed a revised Curie-Weiss law. In an attempt to ascertain the ionic state of the 5f-uranium ion in UN, use was made of the experimentally determined Weiss constant, spin disorder resistivity and Knight shift. A calculation was made that gave a good representation of the ratio of the experimental susceptibilities along the [100] and [110] directions in the ordered region [af

Theoretical investigations on the elastic and thermodynamic properties of Ti2AlC0.5N0.5 solid solution

International Nuclear Information System (INIS)

Du, Y.L.; Sun, Z.M.; Hashimoto, H.; Barsoum, M.W.

2009-01-01

We have performed theoretical studies on the elastic and thermodynamic properties of the solid solution: Ti 2 AlC 0.5 N 0.5 . The lattice parameters, elastic constants, bulk, shear, Young's moduli, Poisson's ratio and Debye temperature were calculated and compared with those of the end members, Ti 2 AlC and Ti 2 AlN. The temperature dependence of the bulk moduli, thermal expansion coefficient and specific heats of Ti 2 AlC 0.5 N 0.5 were obtained from the quasi-harmonic Debye model. The calculated elastic and thermodynamic properties were compared with experimental data.

Two-body non-leptonic decays on the lattice

CERN Document Server

Ciuchini, M; Martinelli, G; Silvestrini, L

1996-01-01

We show that, under reasonable hypotheses, it is possible to study two-body non-leptonic weak decays in numerical simulations of lattice QCD. By assuming that final-state interactions are dominated by the nearby resonances and that the couplings of the resonances to the final particles are smooth functions of the external momenta, it is possible indeed to overcome the difficulties imposed by the Maiani-Testa no-go theorem and to extract the weak decay amplitudes, including their phases. Under the same assumptions, results can be obtained also for time-like form factors and quasi-elastic processes.

Structural, electronic and elastic properties of the cubic CaTiO3 under pressure: A DFT study

Directory of Open Access Journals (Sweden)

Saad Tariq

2015-07-01

Full Text Available Using highly accurate FP-LAPW method with GGA approximation structural, electronic and elastic properties of cubic CaTiO3 have been calculated from 0-120 GPa range of pressure. It is observed that lattice constant, bond length and anisotropy factor decrease with increase in pressure. Also the brittle nature and indirect band-gap of the compound become ductile and direct band-gap respectively at 120 GPa. Moduli of elasticity, density of the material, Debye temperature and wave elastic wave velocities increase with increase in pressure. Spin dependent DOS’s plots show invariant anti-ferromagnetic nature of the compound under pressure. Our calculated results are in good agreement with available theoretical and experimental results.

In-plane anisotropic strain of elastically and plastically deformed III-nitrides on lithium gallate

Energy Technology Data Exchange (ETDEWEB)

Namkoong, Gon, E-mail: gnamkoon@odu.ed [Old Dominion University, Electrical and Computer Engineering, Applied Research Center, 12050 Jefferson Avenue, Newport News, VA 23606 (United States); Huang, Sa; Moseley, Michael; Doolittle, W. Alan [Georgia Institute of Technology, School of Electrical and Computer Engineering, 777 Atlantic Dr., Atlanta, GA 30332 (United States)

2009-10-30

We have investigated both elastically and plastically deformed GaN films on lithium gallate, LiGaO{sub 2}, by molecular beam epitaxy. The in-plane lattice parameters were determined from high resolution X-ray diffraction and indicated two different groups of in-plane lattice parameters, influenced by the a- and b-axis of LiGaO{sub 2}. The measured in-plane lattice parameters indicate that there exist both compressive and tensile strains of in-plane GaN along the a- and b-axis of LiGaO{sub 2}, respectively. This anisotropic strain in GaN films forms a slight distortion of the basal-plane hexagonal structure of GaN films, leading to a different critical thickness of 4.0 {+-} 0.17 and 7.8 {+-} 0.7 nm along the a- and b-axis of LiGaO{sub 2}, respectively.

In-plane anisotropic strain of elastically and plastically deformed III-nitrides on lithium gallate

International Nuclear Information System (INIS)

Namkoong, Gon; Huang, Sa; Moseley, Michael; Doolittle, W. Alan

2009-01-01

We have investigated both elastically and plastically deformed GaN films on lithium gallate, LiGaO 2 , by molecular beam epitaxy. The in-plane lattice parameters were determined from high resolution X-ray diffraction and indicated two different groups of in-plane lattice parameters, influenced by the a- and b-axis of LiGaO 2 . The measured in-plane lattice parameters indicate that there exist both compressive and tensile strains of in-plane GaN along the a- and b-axis of LiGaO 2 , respectively. This anisotropic strain in GaN films forms a slight distortion of the basal-plane hexagonal structure of GaN films, leading to a different critical thickness of 4.0 ± 0.17 and 7.8 ± 0.7 nm along the a- and b-axis of LiGaO 2 , respectively.

Systematic study of the elastic properties of Mn3AC antiperovskite with A = Zn, Al, Ga, In, Tl, Ge and Sn

International Nuclear Information System (INIS)

Medkour, Y.; Roumili, A.; Maouche, D.; Saoudi, A.; Louail, L.

2012-01-01

Highlights: ► Single crystal elastic constants C 11 , C 12 and C 44 were calculated. ► Elastic moduli for polycrystalline aggregate were obtained. ► Increasing the atomic number of A element reduces B, G′, Y and v. ► Mn 3 AlC has a high melting point and light weight. - Abstract: First principle calculations were made to investigate the elastic properties of Mn 3 AC antiperovskites, A = Zn, Al, Ga, In, Tl, Ge and Sn. The estimated equilibrium lattice parameters are in agreement with the experimental ones. From the single crystal elastic constants we have calculated the polycrystalline elastic moduli: the bulk modulus B, shear modulus G, tetragonal shear modulus G′, Young’s modulus Y, Cauchy’s pressure CP, Poisson’s ratio v, elastic anisotropy factor and Pugh’s criterion G/B. Using Debye’s approximation we have deduced the elastic wave velocities and Debye’s temperature.

Lattice calculation of the leading strange quark-connected contribution to the muon $g-2$

CERN Document Server

Blum, T.; Del Debbio, L.; Hudspith, R.J.; Izubuchi, T.; Jüttner, A.; Lehner, C.; Lewis, R.; Maltman, K.; Krstić Marinković, M.; Portelli, A.; Spraggs, M.

2016-04-11

We present results for the leading hadronic contribution to the muon anomalous magnetic moment due to strange quark-connected vacuum polarisation effects. Simulations were performed using RBC--UKQCD's $N_f=2+1$ domain wall fermion ensembles with physical light sea quark masses at two lattice spacings. We consider a large number of analysis scenarios in order to obtain solid estimates for residual systematic effects. Our final result in the continuum limit is $a_\\mu^{(2)\\,{\\rm had},\\,s}=53.1(9)\\left(^{+1}_{-3}\\right)\\times10^{-10}$.

Lattice calculation of the leading strange quark-connected contribution to the muon g−2

International Nuclear Information System (INIS)

Blum, T.; Boyle, P.A.; Debbio, L. Del; Hudspith, R.J.; Izubuchi, T.; Jüttner, A.; Lehner, C.; Lewis, R.; Maltman, K.; Marinković, M. Krstić; Portelli, A.; Spraggs, M.

2016-01-01

We present results for the leading hadronic contribution to the muon anomalous magnetic moment due to strange quark-connected vacuum polarisation effects. Simulations were performed using RBC-UKQCD’s N f =2+1 domain wall fermion ensembles with physical light sea quark masses at two lattice spacings. We consider a large number of analysis scenarios in order to obtain solid estimates for residual systematic effects. Our final result in the continuum limit is a μ (2) had, s =53.1(9)( −3 +1 )×10 −10 .

Actin filaments growing against an elastic membrane: Effect of membrane tension

Science.gov (United States)

Sadhu, Raj Kumar; Chatterjee, Sakuntala

2018-03-01

We study the force generation by a set of parallel actin filaments growing against an elastic membrane. The elastic membrane tries to stay flat and any deformation from this flat state, either caused by thermal fluctuations or due to protrusive polymerization force exerted by the filaments, costs energy. We study two lattice models to describe the membrane dynamics. In one case, the energy cost is assumed to be proportional to the absolute magnitude of the height gradient (gradient model) and in the other case it is proportional to the square of the height gradient (Gaussian model). For the gradient model we find that the membrane velocity is a nonmonotonic function of the elastic constant μ and reaches a peak at μ =μ* . For μ membrane energy keeps increasing with time. For the Gaussian model, the system always reaches a steady state and the membrane velocity decreases monotonically with the elastic constant ν for all nonzero values of ν . Multiple filaments give rise to protrusions at different regions of the membrane and the elasticity of the membrane induces an effective attraction between the two protrusions in the Gaussian model which causes the protrusions to merge and a single wide protrusion is present in the system. In both the models, the relative time scale between the membrane and filament dynamics plays an important role in deciding whether the shape of elasticity-velocity curve is concave or convex. Our numerical simulations agree reasonably well with our analytical calculations.

Emergent pseudospin-1 Maxwell fermions with a threefold degeneracy in optical lattices

Science.gov (United States)

Zhu, Yan-Qing; Zhang, Dan-Wei; Yan, Hui; Xing, Ding-Yu; Zhu, Shi-Liang

2017-09-01

The discovery of relativistic spin-1/2 fermions such as Dirac and Weyl fermions in condensed-matter or artificial systems opens a new era in modern physics. An interesting but rarely explored question is whether other relativistic spinal excitations could be realized with artificial systems. Here, we construct two- and three-dimensional tight-binding models realizable with cold fermionic atoms in optical lattices, where the low energy excitations are effectively described by the spin-1 Maxwell equations in the Hamiltonian form. These relativistic (linear dispersion) excitations with unconventional integer pseudospin, beyond the Dirac-Weyl-Majorana fermions, are an exotic kind of fermions named as Maxwell fermions. We demonstrate that the systems have rich topological features. For instance, the threefold degenerate points called Maxwell points may have quantized Berry phases and anomalous quantum Hall effects with spin-momentum locking may appear in topological Maxwell insulators in the two-dimensional lattices. In three dimensions, Maxwell points may have nontrivial monopole charges of ±2 with two Fermi arcs connecting them, and the merging of the Maxwell points leads to topological phase transitions. Finally, we propose realistic schemes for realizing the model Hamiltonians and detecting the topological properties of the emergent Maxwell quasiparticles in optical lattices.

An assessment of the lattice strain in the CrMnFeCoNi high-entropy alloy

International Nuclear Information System (INIS)

Owen, L.R.; Pickering, E.J.; Playford, H.Y.; Stone, H.J.; Tucker, M.G.; Jones, N.G.

2017-01-01

The formation of single phase solid solutions from combinations of multiple principal elements, with differing atomic radii, has led to the suggestion that the lattices of high-entropy alloys (HEAs) must be severely distorted. To assess this hypothesis, total scattering measurements using neutron radiation have been performed on the CrMnFeCoNi alloy and compared with similar data from five compositionally simpler materials within the same system. The Bragg diffraction patterns from all of the studied materials were similar, consistent with a face-centered cubic structure, and none showed the pronounced dampening that would be expected from a highly distorted lattice. A more detailed evaluation of the local lattice strain was made by considering the first six coordination shells in the pair distribution functions (PDF), obtained from the total scattering data. Across this range, the HEA exhibited the broadest PDF peaks but these widths were not disproportionately larger than those of the simpler alloys. In addition, of all the materials considered, the HEA was at the highest homologous temperature, and hence the thermal vibrations of the atoms would be greatest. Consequently, the level of local lattice strain required to rationalise a given PDF peak width would be reduced. As a result, the data presented in this study do not indicate that the local lattice strain in the equiatomic CrMnFeCoNi HEA is anomalously large.

Quantitative Characterization of the Nanoscale Local Lattice Strain Induced by Sr Dopants in La1.92Sr0.08CuO4

Science.gov (United States)

Lin, J. Q.; Liu, X.; Blackburn, E.; Wakimoto, S.; Ding, H.; Islam, Z.; Sinha, S. K.

2018-05-01

The nanometer scale lattice deformation brought about by the dopants in the high temperature superconducting cuprate La2 -xSrx CuO4 (x =0.08 ) was investigated by measuring the associated x-ray diffuse scattering around multiple Bragg peaks. A characteristic diffuse scattering pattern was observed, which can be well described by continuum elastic theory. With the fitted dipole force parameters, the acoustic-type lattice deformation pattern was reconstructed and found to be of similar size to lattice thermal vibration at 7 K. Our results address the long-term concern of dopant introduced local lattice inhomogeneity, and show that the associated nanometer scale lattice deformation is marginal and cannot, alone, be responsible for the patched variation in the spectral gaps observed with scanning tunneling microscopy in the cuprates.

Diffraction and single-crystal elastic constants of Inconel 625 at room and elevated temperatures determined by neutron diffraction

International Nuclear Information System (INIS)

Wang, Zhuqing; Stoica, Alexandru D.; Ma, Dong; Beese, Allison M.

2016-01-01

In this work, diffraction and single-crystal elastic constants of Inconel 625 have been determined by means of in situ loading at room and elevated temperatures using time-of-flight neutron diffraction. Theoretical models proposed by Voigt, Reuss, and Kroner were used to determine single-crystal elastic constants from measured diffraction elastic constants, with the Kroner model having the best ability to capture experimental data. The magnitude of single-crystal elastic moduli, computed from single-crystal elastic constants, decreases and the single crystal anisotropy increases as temperature increases, indicating the importance of texture in affecting macroscopic stress at elevated temperatures. The experimental data reported here are of great importance in understanding additive manufacturing of metallic components as: diffraction elastic constants are required for computing residual stresses from residual lattice strains measured using neutron diffraction, which can be used to validate thermomechanical models of additive manufacturing, while single-crystal elastic constants can be used in crystal plasticity modeling, for example, to understand mechanical deformation behavior of additively manufactured components.

Diffraction and single-crystal elastic constants of Inconel 625 at room and elevated temperatures determined by neutron diffraction

Energy Technology Data Exchange (ETDEWEB)

Wang, Zhuqing [Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802 (United States); Stoica, Alexandru D. [Chemical and Engineering Materials Division, Neutron Sciences Directorate, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Ma, Dong, E-mail: dongma@ornl.gov [Chemical and Engineering Materials Division, Neutron Sciences Directorate, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Beese, Allison M., E-mail: amb961@psu.edu [Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802 (United States)

2016-09-30

In this work, diffraction and single-crystal elastic constants of Inconel 625 have been determined by means of in situ loading at room and elevated temperatures using time-of-flight neutron diffraction. Theoretical models proposed by Voigt, Reuss, and Kroner were used to determine single-crystal elastic constants from measured diffraction elastic constants, with the Kroner model having the best ability to capture experimental data. The magnitude of single-crystal elastic moduli, computed from single-crystal elastic constants, decreases and the single crystal anisotropy increases as temperature increases, indicating the importance of texture in affecting macroscopic stress at elevated temperatures. The experimental data reported here are of great importance in understanding additive manufacturing of metallic components as: diffraction elastic constants are required for computing residual stresses from residual lattice strains measured using neutron diffraction, which can be used to validate thermomechanical models of additive manufacturing, while single-crystal elastic constants can be used in crystal plasticity modeling, for example, to understand mechanical deformation behavior of additively manufactured components.

Anomalous top magnetic couplings

Indian Academy of Sciences (India)

2012-11-09

Nov 9, 2012 ... Corresponding author. E-mail: remartinezm@unal.edu.co. Abstract. The real and imaginary parts of the one-loop electroweak contributions to the left and right tensorial anomalous couplings of the tbW vertex in the Standard Model (SM) are computed. Keywords. Top; anomalous. PACS Nos 14.65.Ha; 12.15 ...

Structural, elastic and thermodynamic properties under pressure and temperature effects of MgIn{sub 2}S{sub 4} and CdIn{sub 2}S{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Bouhemadou, A., E-mail: a_bouhemadou@yahoo.fr [Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, University of Setif, 19000 Setif (Algeria); Haddadi, K. [Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, University of Setif, 19000 Setif (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modelisation Mathematique (LPQ3M), Departement de Technologie, Universite de Mascara, 29000 Mascara (Algeria); Rached, D. [Department of Physics, Faculty of Science, University of Sidi-Bel-Abbes, 22000 (Algeria); Bin-Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia)

2012-06-15

A density functional-based method is used to investigate the structural, elastic and thermodynamic properties of the cubic spinel semiconductors MgIn{sub 2}S{sub 4} and CdIn{sub 2}S{sub 4} at different pressures and temperatures. Computed ground structural parameters are in good agreement with the available experimental data. Single-crystal elastic parameters are calculated for pressure up to 10 GPa and temperature up to 1200 K. The obtained elastic constants values satisfy the requirement of mechanical stability, indicating that MgIn{sub 2}S{sub 4} and CdIn{sub 2}S{sub 4} compounds could be stable in the investigated pressure range. Isotropic elastic parameters for ideal polycrystalline MgIn{sub 2}S{sub 4} and CdIn{sub 2}S{sub 4} aggregates are computed in the framework of the Voigt-Reuss-Hill approximation. Pressure and thermal effects on some macroscopic properties such as lattice constant, volume expansion coefficient and heat capacities are predicted using the quasi-harmonic Debye model in which the lattice vibrations are taken into account.

Anomalous vacuum expectation values

International Nuclear Information System (INIS)

Suzuki, H.

1986-01-01

The anomalous vacuum expectation value is defined as the expectation value of a quantity that vanishes by means of the field equations. Although this value is expected to vanish in quantum systems, regularization in general produces a finite value of this quantity. Calculation of this anomalous vacuum expectation value can be carried out in the general framework of field theory. The result is derived by subtraction of divergences and by zeta-function regularization. Various anomalies are included in these anomalous vacuum expectation values. This method is useful for deriving not only the conformal, chiral, and gravitational anomalies but also the supercurrent anomaly. The supercurrent anomaly is obtained in the case of N = 1 supersymmetric Yang-Mills theory in four, six, and ten dimensions. The original form of the energy-momentum tensor and the supercurrent have anomalies in their conservation laws. But the modification of these quantities to be equivalent to the original one on-shell causes no anomaly in their conservation laws and gives rise to anomalous traces

Elastic constants of stressed and unstressed materials in the phase-field crystal model

Science.gov (United States)

Wang, Zi-Le; Huang, Zhi-Feng; Liu, Zhirong

2018-04-01

A general procedure is developed to investigate the elastic response and calculate the elastic constants of stressed and unstressed materials through continuum field modeling, particularly the phase-field crystal (PFC) models. It is found that for a complete description of system response to elastic deformation, the variations of all the quantities of lattice wave vectors, their density amplitudes (including the corresponding anisotropic variation and degeneracy breaking), the average atomic density, and system volume should be incorporated. The quantitative and qualitative results of elastic constant calculations highly depend on the physical interpretation of the density field used in the model, and also importantly, on the intrinsic pressure that usually pre-exists in the model system. A formulation based on thermodynamics is constructed to account for the effects caused by constant pre-existing stress during the homogeneous elastic deformation, through the introducing of a generalized Gibbs free energy and an effective finite strain tensor used for determining the elastic constants. The elastic properties of both solid and liquid states can be well produced by this unified approach, as demonstrated by an analysis for the liquid state and numerical evaluations for the bcc solid phase. The numerical calculations of bcc elastic constants and Poisson's ratio through this method generate results that are consistent with experimental conditions, and better match the data of bcc Fe given by molecular dynamics simulations as compared to previous work. The general theory developed here is applicable to the study of different types of stressed or unstressed material systems under elastic deformation.

Bound states and Cooper pairs of molecules in 2D optical lattices bilayer

Energy Technology Data Exchange (ETDEWEB)

Camacho-Guardian, A.; Dominguez-Castro, G.A.; Paredes, R. [Instituto de Fisica, Universidad Nacional Autonoma de Mexico (Mexico)

2016-08-15

We investigate the formation of Cooper pairs, bound dimers and the dimer-dimer elastic scattering of ultracold dipolar Fermi molecules confined in a 2D optical lattice bilayer configuration. While the energy and their associated bound states are determined in a variational way, the correlated two-molecule pair is addressed as in the original Cooper formulation. We demonstrate that the 2D lattice confinement favors the formation of zero center mass momentum bound states. Regarding the Cooper pairs binding energy, this depends on the molecule populations in each layer. Maximum binding energies occur for non-zero (zero) pair momentum when the Fermi system is polarized (unpolarized). We find an analytic expression for the dimer-dimer effective interaction in the deep BEC regime. The present analysis represents a route for addressing the BCS-BEC crossover in dipolar Fermi gases confined in 2D optical lattices within the current experimental panorama. (copyright 2016 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Self-consistent Modeling of Elastic Anisotropy in Shale

Science.gov (United States)

Kanitpanyacharoen, W.; Wenk, H.; Matthies, S.; Vasin, R.

2012-12-01

Elastic anisotropy in clay-rich sedimentary rocks has increasingly received attention because of significance for prospecting of petroleum deposits, as well as seals in the context of nuclear waste and CO2 sequestration. The orientation of component minerals and pores/fractures is a critical factor that influences elastic anisotropy. In this study, we investigate lattice and shape preferred orientation (LPO and SPO) of three shales from the North Sea in UK, the Qusaiba Formation in Saudi Arabia, and the Officer Basin in Australia (referred to as N1, Qu3, and L1905, respectively) to calculate elastic properties and compare them with experimental results. Synchrotron hard X-ray diffraction and microtomography experiments were performed to quantify LPO, weight proportions, and three-dimensional SPO of constituent minerals and pores. Our preliminary results show that the degree of LPO and total amount of clays are highest in Qu3 (3.3-6.5 m.r.d and 74vol%), moderately high in N1 (2.4-5.6 m.r.d. and 70vol%), and lowest in L1905 (2.3-2.5 m.r.d. and 42vol%). In addition, porosity in Qu3 is as low as 2% while it is up to 6% in L1605 and 8% in N1, respectively. Based on this information and single crystal elastic properties of mineral components, we apply a self-consistent averaging method to calculate macroscopic elastic properties and corresponding seismic velocities for different shales. The elastic model is then compared with measured acoustic velocities on the same samples. The P-wave velocities measured from Qu3 (4.1-5.3 km/s, 26.3%Ani.) are faster than those obtained from L1905 (3.9-4.7 km/s, 18.6%Ani.) and N1 (3.6-4.3 km/s, 17.7%Ani.). By making adjustments for pore structure (aspect ratio) and single crystal elastic properties of clay minerals, a good agreement between our calculation and the ultrasonic measurement is obtained.

Standard test method for determining the effective elastic parameter for X-ray diffraction measurements of residual stress

CERN Document Server

American Society for Testing and Materials. Philadelphia

1998-01-01

1.1 This test method covers a procedure for experimentally determining the effective elastic parameter, Eeff, for the evaluation of residual and applied stresses by X-ray diffraction techniques. The effective elastic parameter relates macroscopic stress to the strain measured in a particular crystallographic direction in polycrystalline samples. Eeff should not be confused with E, the modulus of elasticity. Rather, it is nominally equivalent to E/(1 + ν) for the particular crystallographic direction, where ν is Poisson's ratio. The effective elastic parameter is influenced by elastic anisotropy and preferred orientation of the sample material. 1.2 This test method is applicable to all X-ray diffraction instruments intended for measurements of macroscopic residual stress that use measurements of the positions of the diffraction peaks in the high back-reflection region to determine changes in lattice spacing. 1.3 This test method is applicable to all X-ray diffraction techniques for residual stress measurem...

Elasticity in Elastics-An in-vitro study.

Science.gov (United States)

Kamisetty, Supradeep Kumar; Nimagadda, Chakrapani; Begam, Madhoom Ponnachi; Nalamotu, Raghuveer; Srivastav, Trilok; Gs, Shwetha

2014-04-01

Orthodontic tooth movement results from application of forces to teeth. Elastics in orthodontics have been used both intra-orally and extra- orally to a great effect. Their use, combined with good patient co-operation provides the clinician with the ability to correct both anteroposterior and vertical discrepancies. Force decay over a period of time is a major problem in the clinical usage of latex elastics and synthetic elastomers. This loss of force makes it difficult for the clinician to determine the actual force transmitted to the dentition. It's the intent of the clinician to maintain optimal force values over desired period of time. The majority of the orthodontic elastics on the market are latex elastics. Since the early 1990s, synthetic products have been offered in the market for latex-sensitive patients and are sold as nonlatex elastics. There is limited information on the risk that latex elastics may pose to patients. Some have estimated that 0.12-6% of the general population and 6.2% of dental professionals have hypersensitivity to latex protein. There are some reported cases of adverse reactions to latex in the orthodontic population but these are very limited to date. Although the risk is not yet clear, it would still be inadvisable to prescribe latex elastics to a patient with a known latex allergy. To compare the in-vitro performance of latex and non latex elastics. Samples of 0.25 inch, latex and non latex elastics (light, medium, heavy elastics) were obtained from three manufacturers (Forestadent, GAC, Glenroe) and a sample size of ten elastics per group was tested. The properties tested included cross sectional area, internal diameter, initial force generated by the elastics, breaking force and the force relaxation for the different types of elastics. Force relaxation testing involved stretching the elastics to three times marketed internal diameter (19.05 mm) and measuring force level at intervals over a period of 48 hours. The data were

First principle electronic, structural, elastic, and optical properties of strontium titanate

Directory of Open Access Journals (Sweden)

Chinedu E. Ekuma

2012-03-01

Full Text Available We report self-consistent ab-initio electronic, structural, elastic, and optical properties of cubic SrTiO3 perovskite. Our non-relativistic calculations employed a generalized gradient approximation (GGA potential and the linear combination of atomic orbitals (LCAO formalism. The distinctive feature of our computations stem from solving self-consistently the system of equations describing the GGA, using the Bagayoko-Zhao-Williams (BZW method. Our results are in agreement with experimental ones where the later are available. In particular, our theoretical, indirect band gap of 3.24 eV, at the experimental lattice constant of 3.91 Å, is in excellent agreement with experiment. Our predicted, equilibrium lattice constant is 3.92 Å, with a corresponding indirect band gap of 3.21 eV and bulk modulus of 183 GPa.

Monte Carlo investigations on surface elastic energy of spin-crossover solids: Direct access to image pressure and the Eshelby constant

Science.gov (United States)

Boukheddaden, Kamel

2013-10-01

We present theoretical investigations on surface elastic energy in spin-crossover (SC) solids studied in the frame of a microscopic elastic model, coupling spin, and lattice deformations. Although surface energy plays a crucial role in driving the SC transition, specific quantitative investigations on its effect have been neglected in most of the recent theoretical works based on atomistic descriptions of the SC transitions, resolved by Monte Carlo or by molecular dynamics simulations. Here, we perform a quantitative study of the surface energy resulting from an inserted high-spin (HS) domain in a low-spin (LS) lattice. This situation may be produced experimentally in SC solids, at low temperature, through a photoexcitation by a single pulse laser shot. We demonstrate that the surface energy depends on the ratio between the local molecular volume misfit (between the LS and HS sites) δυ and the lattice volume V, such as Esurf˜δυ2/V for the HS atom at the center of lattice, while it is Esurf˜δυ2/L (L is the length of the lattice) in the case of the HS atom located on the edge of the lattice. We then derived the image pressure (negative in the case of embedded dilatation centers) through the work of the free surface atoms and evaluated the Eshelby constant, which was found equal to γ˜1.90, in very good agreement with the available data of literature. Energetic configuration diagrams in the homogeneous (HS and LS) and heterogeneous (coexistence of HS and LS) are calculated, from which estimations of the macroscopic bulk modulus were deduced.

Structural phase transition and elastic properties of mercury chalcogenides

Energy Technology Data Exchange (ETDEWEB)

Varshney, Dinesh, E-mail: vdinesh33@rediffmail.com [School of Physics, Vigyan Bhavan, Devi Ahilya University, Khandwa Road Campus, Indore 452001 (India); Shriya, S. [School of Physics, Vigyan Bhavan, Devi Ahilya University, Khandwa Road Campus, Indore 452001 (India); Khenata, R. [Laboratoire de Physique Quantique et de Modelisation Mathematique (LPQ3M), Departement de Technologie, Universite de Mascara, 29000 Mascara (Algeria)

2012-08-15

Pressure induced structural transition and elastic properties of ZnS-type (B3) to NaCl-type (B1) structure in mercury chalcogenides (HgX; X = S, Se and Te) are presented. An effective interionic interaction potential (EIOP) with long-range Coulomb, as well charge transfer interactions, Hafemeister and Flygare type short-range overlap repulsion extended up to the second neighbor ions and van der Waals interactions are considered. Emphasis is on the evaluation of the pressure dependent Poisson's ratio {nu}, the ratio R{sub BT/G} of B (bulk modulus) over G (shear modulus), anisotropy parameter, Shear and Young's modulus, Lame constant, Kleinman parameter, elastic wave velocity and thermodynamical property as Debye temperature. The Poisson's ratio behavior infers that Mercury chalcogenides are brittle in nature. To our knowledge this is the first quantitative theoretical prediction of the pressure dependence of elastic and thermodynamical properties explicitly the ductile (brittle) nature of HgX and still awaits experimental confirmations. Highlights: Black-Right-Pointing-Pointer Vast volume discontinuity in phase diagram infers transition from ZnS to NaCl structure. Black-Right-Pointing-Pointer The shear elastic constant C{sub 44} is nonzero confirms the mechanical stability. Black-Right-Pointing-Pointer Pressure dependence of {theta}{sub D} infers the softening of lattice with increasing pressure. Black-Right-Pointing-Pointer Estimated bulk, shear and tetragonal moduli satisfied elastic stability criteria. Black-Right-Pointing-Pointer In both B3 and B1 phases, C{sub 11} and C{sub 12} increase linearly with pressure.

Monte Carlo study of the double and super-exchange model with lattice distortion

Energy Technology Data Exchange (ETDEWEB)

Suarez, J R; Vallejo, E; Navarro, O [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-360, 04510 Mexico D. F. (Mexico); Avignon, M, E-mail: jrsuarez@iim.unam.m [Institut Neel, Centre National de la Recherche Scientifique (CNRS) and Universite Joseph Fourier, BP 166, 38042 Grenoble Cedex 9 (France)

2009-05-01

In this work a magneto-elastic phase transition was obtained in a linear chain due to the interplay between magnetism and lattice distortion in a double and super-exchange model. It is considered a linear chain consisting of localized classical spins interacting with itinerant electrons. Due to the double exchange interaction, localized spins tend to align ferromagnetically. This ferromagnetic tendency is expected to be frustrated by anti-ferromagnetic super-exchange interactions between neighbor localized spins. Additionally, lattice parameter is allowed to have small changes, which contributes harmonically to the energy of the system. Phase diagram is obtained as a function of the electron density and the super-exchange interaction using a Monte Carlo minimization. At low super-exchange interaction energy phase transition between electron-full ferromagnetic distorted and electron-empty anti-ferromagnetic undistorted phases occurs. In this case all electrons and lattice distortions were found within the ferromagnetic domain. For high super-exchange interaction energy, phase transition between two site distorted periodic arrangement of independent magnetic polarons ordered anti-ferromagnetically and the electron-empty anti-ferromagnetic undistorted phase was found. For this high interaction energy, Wigner crystallization, lattice distortion and charge distribution inside two-site polarons were obtained.

Probing many-body interactions in an optical lattice clock

Energy Technology Data Exchange (ETDEWEB)

Rey, A.M., E-mail: arey@jilau1.colorado.edu [JILA, NIST and University of Colorado, Department of Physics, Boulder, CO 80309 (United States); Gorshkov, A.V. [Joint Quantum Institute, NIST and University of Maryland, Department of Physics, College Park, MD 20742 (United States); Kraus, C.V. [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria); Institute for Theoretical Physics, University of Innsbruck, A-6020 Innsbruck (Austria); Martin, M.J. [JILA, NIST and University of Colorado, Department of Physics, Boulder, CO 80309 (United States); Institute for Quantum Information and Matter, California Institute of Technology, Pasadena, CA 91125 (United States); Bishof, M.; Swallows, M.D.; Zhang, X.; Benko, C.; Ye, J. [JILA, NIST and University of Colorado, Department of Physics, Boulder, CO 80309 (United States); Lemke, N.D.; Ludlow, A.D. [National Institute of Standards and Technology, Boulder, CO 80305 (United States)

2014-01-15

We present a unifying theoretical framework that describes recently observed many-body effects during the interrogation of an optical lattice clock operated with thousands of fermionic alkaline earth atoms. The framework is based on a many-body master equation that accounts for the interplay between elastic and inelastic p-wave and s-wave interactions, finite temperature effects and excitation inhomogeneity during the quantum dynamics of the interrogated atoms. Solutions of the master equation in different parameter regimes are presented and compared. It is shown that a general solution can be obtained by using the so called Truncated Wigner Approximation which is applied in our case in the context of an open quantum system. We use the developed framework to model the density shift and decay of the fringes observed during Ramsey spectroscopy in the JILA {sup 87}Sr and NIST {sup 171}Yb optical lattice clocks. The developed framework opens a suitable path for dealing with a variety of strongly-correlated and driven open-quantum spin systems. -- Highlights: •Derived a theoretical framework that describes many-body effects in a lattice clock. •Validated the analysis with recent experimental measurements. •Demonstrated the importance of beyond mean field corrections in the dynamics.

Self-consistent modelling of lattice strains during the in-situ tensile loading of twinning induced plasticity steel

International Nuclear Information System (INIS)

Saleh, Ahmed A.; Pereloma, Elena V.; Clausen, Bjørn; Brown, Donald W.; Tomé, Carlos N.; Gazder, Azdiar A.

2014-01-01

The evolution of lattice strains in a fully recrystallised Fe–24Mn–3Al–2Si–1Ni–0.06C TWinning Induced Plasticity (TWIP) steel subjected to uniaxial tensile loading up to a true strain of ∼35% was investigated via in-situ neutron diffraction. Typical of fcc elastic and plastic anisotropy, the {111} and {200} grain families record the lowest and highest lattice strains, respectively. Using modelling cases with and without latent hardening, the recently extended Elasto-Plastic Self-Consistent model successfully predicted the macroscopic stress–strain response, the evolution of lattice strains and the development of crystallographic texture. Compared to the isotropic hardening case, latent hardening did not have a significant effect on lattice strains and returned a relatively faster development of a stronger 〈111〉 and a weaker 〈100〉 double fibre parallel to the tensile axis. Close correspondence between the experimental lattice strains and those predicted using particular orientations embedded within a random aggregate was obtained. The result suggests that the exact orientations of the surrounding aggregate have a weak influence on the lattice strain evolution

Structural, electronic and elastic properties of the cubic CaTiO{sub 3} under pressure: A DFT study

Energy Technology Data Exchange (ETDEWEB)

Tariq, Saad, E-mail: saadigi@hotmail.com; Ahmed, Afaq; Tariq, Samar [Centre of Excellence in Solid State Physics, University of Punjab, Lahore, 54000 (Pakistan); Saad, Saher [Centre for High Energy Physics, University of the Punjab, Lahore (Pakistan)

2015-07-15

Using highly accurate FP-LAPW method with GGA approximation structural, electronic and elastic properties of cubic CaTiO{sub 3} have been calculated from 0-120 GPa range of pressure. It is observed that lattice constant, bond length and anisotropy factor decrease with increase in pressure. Also the brittle nature and indirect band-gap of the compound become ductile and direct band-gap respectively at 120 GPa. Moduli of elasticity, density of the material, Debye temperature and wave elastic wave velocities increase with increase in pressure. Spin dependent DOS’s plots show invariant anti-ferromagnetic nature of the compound under pressure. Our calculated results are in good agreement with available theoretical and experimental results.

In situ X-ray diffraction study of irradiation-induced lattice expansion in Al foils by MeV-energy heavy ions

Energy Technology Data Exchange (ETDEWEB)

Minagawa, Hideaki [Department of Nuclear Engineering, Kyoto University, Kyoto 615-8530 (Japan); Tsuchida, Hidetsugu, E-mail: tsuchida@nucleng.kyoto-u.ac.jp [Department of Nuclear Engineering, Kyoto University, Kyoto 615-8530 (Japan); Quantum Science and Engineering Center, Kyoto University, Uji 611-0011 (Japan); Murase, Ryu [Department of Nuclear Engineering, Kyoto University, Kyoto 615-8530 (Japan); Itoh, Akio [Department of Nuclear Engineering, Kyoto University, Kyoto 615-8530 (Japan); Quantum Science and Engineering Center, Kyoto University, Uji 611-0011 (Japan)

2016-04-01

Using in situ X-ray diffraction measurements, we investigate lattice deformations of a free-standing aluminum foil induced by irradiation with MeV-energy heavy projectiles (C, O, and Si ions). The dependence of the ion-beam flux on the lattice expansion is analyzed in terms of two types of irradiation effects: (i) electronic excitation collision-induced lattice heating and (ii) elastic collision-induced displacement damage. We observe that the change in the lattice parameter is proportional to the energy in lattice heating, irrespective of projectile species. This result is in good agreement with a model calculation for thermal lattice expansion caused by beam heating. Moreover, with the correlation between lattice expansion and displacement damage, we consider a simple model for lattice expansion originating from the accumulation of Frenkel defects. From the model, we obtained the relationship between the relative changes in lattice parameter and the value of displacement per atom (dpa) rate. A comparison of the results from model calculations and experiments shows that the dpa rate calculated from the model, which takes account of athermal defect-recombination, is strongly correlated with the change in lattice parameter. This result suggests that the concentration of surviving defects under irradiation diminishes because of spontaneous recombination of defects produced.

Anomalous x-ray scattering

International Nuclear Information System (INIS)

Wendin, G.

1979-01-01

The availability of tunable synchrotron radiation has made it possible systematically to perform x-ray diffraction studies in regions of anomalous scattering near absorption edges, e.g. in order to derive phase information for crystal structure determination. An overview is given of recent experimental and theoretical work and discuss the properties of the anomalous atomic scattering factor, with emphasis on threshold resonances and damping effects. The results are applied to a discussion of the very strong anomalous dispersion recently observed near the L 3 edge in a cesium complex. Also given is an overview of elements and levels where similar behavior can be expected. Finally, the influence of solid state and chemical effects on the absorption edge structure is discussed. 64 references

Diffusion coefficient for anomalous transport

International Nuclear Information System (INIS)

1986-01-01

A report on the progress towards the goal of estimating the diffusion coefficient for anomalous transport is given. The gyrokinetic theory is used to identify different time and length scale inherent to the characteristics of plasmas which exhibit anomalous transport

Changes in the shapes of self-organized PbSe quantum dots during PbEuTe overgrowth investigated by anomalous X-ray diffraction

International Nuclear Information System (INIS)

Holy, V.; Schuelli, T.U.; Lechner, R.T.; Springholz, G.; Bauer, G.

2006-01-01

Anomalous X-ray diffraction was used for the investigation of shape and chemical composition of self-organized PbSe quantum dots covered by PbEuTe capping layers. From reciprocal-space maps of diffracted intensities measured at two energies of the primary radiation, we discriminated the contributions of the dot volumes and the surrounding crystal lattice to the diffracted intensity. We have found that the presence of Eu atoms suppresses the flattening of the dots during their overgrowth

Anomalous carbon nuclei

International Nuclear Information System (INIS)

Gasparian, A.P.

1984-01-01

Results are presented from a bubble chamber experiment to search for anomalous mean free path (MFP) phenomena for secondary multicharged fragments (Zsub(f)=5 and 6) of the beam carbon nucleus at 4.2 GeV/c per nucleon. A total of 50000 primary interactions of carbon with propane (C 3 H 8 ) were created. Approximately 6000 beam tragments with charges Zsub(f)=5 and 6 were analyzed in detail to find out an anomalous decrease of MFP. The anomaly is observed only for secondary 12 C nuclei

Anisotropic magnetocrystalline coupling of the skyrmion lattice in MnSi

Science.gov (United States)

Luo, Yongkang; Lin, Shi-Zeng; Fobes, D. M.; Liu, Zhiqi; Bauer, E. D.; Betts, J. B.; Migliori, A.; Thompson, J. D.; Janoschek, M.; Maiorov, B.

2018-03-01

We investigate the anisotropic nature of magnetocrystalline coupling between the crystallographic and skyrmion crystal (SKX) lattices in the chiral magnet MnSi by magnetic field-angle resolved resonant ultrasound spectroscopy. Abrupt changes are observed in the elastic moduli and attenuation when the magnetic field is parallel to the [011] crystallographic direction. These observations are interpreted in a phenomenological Ginzburg-Landau theory that identifies switching of the SKX orientation to be the result of an anisotropic magnetocrystalline coupling potential. Our paper sheds new light on the nature of magnetocrystalline coupling potential relevant to future spintronic applications.

Lattice QCD

International Nuclear Information System (INIS)

Hasenfratz, P.

1983-01-01

The author presents a general introduction to lattice gauge theories and discusses non-perturbative methods in the gauge sector. He then shows how the lattice works in obtaining the string tension in SU(2). Lattice QCD at finite physical temperature is discussed. Universality tests in SU(2) lattice QCD are presented. SU(3) pure gauge theory is briefly dealt with. Finally, fermions on the lattice are considered. (Auth.)

Determination of baryon-baryon elastic scattering phase shift from finite volume spectra in elongated boxes

Science.gov (United States)

Li, Ning; Wu, Ya-Jie; Liu, Zhan-Wei

2018-01-01

The relations between the baryon-baryon elastic scattering phase shifts and the two-particle energy spectrum in the elongated box are established. We studied the cases with both the periodic boundary condition and twisted boundary condition in the center of mass frame. The framework is also extended to the system of nonzero total momentum with periodic boundary condition in the moving frame. Moreover, we discussed the sensitivity functions σ (q ) that represent the sensitivity of higher scattering phases. Our analytical results will be helpful to extract the baryon-baryon elastic scattering phase shifts in the continuum from lattice QCD data by using elongated boxes.

Shape Recovery of Elastic Red Blood Cells from Shear Flow Induced Deformation in Three Dimensions

Science.gov (United States)

Peng, Yan; Gounley, John

2015-11-01

Red blood cells undergo substantial shape changes in vivo. Modeled as an elastic capsule, the shape recovery of a three dimensional biconcave capsule from shear flow is studied for different preferred elastic and bending configuration. The fluid-structure interaction is modeled using the multiple-relaxation time lattice Boltzmann (LBM) and immersed boundary (IBM) methods. Based on the studies of the limited shape memory observed in three dimensions, the shape recovery is caused by the preferred elastic configuration, at least when paired with a constant spontaneous curvature. For these capsules, the incompleteness of the shape recovery observed precludes any conjecture about whether a single or multiple phase(s) are necessary to describe the recovery process. Longer simulations and a more stable methodology will be necessary. Y. Peng acknowledges support from Old Dominion University Research Foundation Grant #503921 and National Science Foundation Grant DMS-1319078.

Theoretical study of phonon dispersion, elastic, mechanical and thermodynamic properties of barium chalcogenides

Science.gov (United States)

Musari, A. A.; Orukombo, S. A.

2018-03-01

Barium chalcogenides are known for their high-technological importance and great scientific interest. Detailed studies of their elastic, mechanical, dynamical and thermodynamic properties were carried out using density functional theory and plane-wave pseudo potential method within the generalized gradient approximation. The optimized lattice constants were in good agreement when compared with experimental data. The independent elastic constants, calculated from a linear fit of the computed stress-strain function, were used to determine the Young’s modulus (E), bulk modulus (B), shear modulus (G), Poisson’s ratio (σ) and Zener’s anisotropy factor (A). Also, the Debye temperature and sound velocities for barium chalcogenides were estimated from the three independent elastic constants. The calculations of phonon dispersion showed that there are no negative frequencies throughout the Brillouin zone. Hence barium chalcogenides have dynamically stable NaCl-type crystal structure. Finally, their thermodynamic properties were calculated in the temperature range of 0-1000 K and their constant-volume specific heat capacities at room-temperature were reported.

Emission Channeling Studies of the Lattice Site of Oversized Alkali Atoms Implanted in Metals

CERN Multimedia

2002-01-01

% IS340 \\\\ \\\\ As alkali atoms have the largest atomic radius of all elements, the determination of their lattice configuration following implantation into metals forms a critical test for the various models predicting the lattice site of implanted impurity atoms. The site determination of these large atoms will especially be a crucial check for the most recent model that relates the substitutional fraction of oversized elements to their solution enthalpy. Recent exploratory $^{213}$Fr and $^{221}$Fr $\\alpha$-emission channeling experiments at ISOLDE-CERN and hyperfine interaction measurements on Fr implanted in Fe gave an indication for anomalously large substitutional fractions. To investigate further the behaviour of Fr and other alkali atoms like Cs and Rb thoroughly, more on-line emission channeling experiments are needed. We propose a number of shifts for each element, where the temperature of the implanted metals will be varied between 50$^\\circ$ and 700$^\\circ$~K. Temperature dependent measurements wi...

Analysis of the crystal lattice instability for cage–cluster systems using the superatom model

Energy Technology Data Exchange (ETDEWEB)

Serebrennikov, D. A., E-mail: dserebrennikov@innopark.kantiana.ru, E-mail: dimafania@mail.ru; Clementyev, E. S. [I. Kant Baltic Federal University, “Functional Nanomaterials” Scientific–Educational Center (Russian Federation); Alekseev, P. A. [“Kurchatov Institute” National Research Center (Russian Federation)

2016-09-15

We have investigated the lattice dynamics for a number of rare-earth hexaborides based on the superatom model within which the boron octahedron is substituted by one superatom with a mass equal to the mass of six boron atoms. Phenomenological models have been constructed for the acoustic and lowenergy optical phonon modes in RB{sub 6} (R = La, Gd, Tb, Dy) compounds. Using DyB{sub 6} as an example, we have studied the anomalous softening of longitudinal acoustic phonons in several crystallographic directions, an effect that is also typical of GdB{sub 6} and TbB{sub 6}. The softening of the acoustic branches is shown to be achieved through the introduction of negative interatomic force constants between rare-earth ions. We discuss the structural instability of hexaborides based on 4f elements, the role of valence instability in the lattice dynamics, and the influence of the number of f electrons on the degree of softening of phonon modes.

Electronic structure, elasticity, bonding features and mechanical behaviour of zinc intermetallics: A DFT study

Energy Technology Data Exchange (ETDEWEB)

Fatima, Bushra, E-mail: bushrafatima25@gmail.com; Acharya, Nikita; Sanyal, Sankar P. [Department of Physics, Barkatullah University, Bhopal, 462026 (India)

2016-05-06

The structural stability, electronic structure, elastic and mechanical properties of TiZn and ZrZn intermetallics have been studied using ab-initio full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation for exchange and correlation potentials. The various structural parameters, such as lattice constant (a{sub 0}), bulk modulus (B), and its pressure derivative (B’) are analysed and compared. The investigation of elastic constants affirm that both TiZn and ZrZn are elastically stable in CsCl (B{sub 2} phase) structure. The electronic structures have been analysed quantitatively from the band structure which reveals the metallic nature of these compounds. To better illustrate the nature of bonding and charge transfer, we have also studied the Fermi surfaces. The three well known criterion of ductility namely Pugh’s rule, Cauchy’s pressure and Frantsevich rule elucidate the ductile nature of these compounds.

Modeling of monolayer charge-stabilized colloidal crystals with static hexagonal crystal lattice

Science.gov (United States)

Nagatkin, A. N.; Dyshlovenko, P. E.

2018-01-01

The mathematical model of monolayer colloidal crystals of charged hard spheres in liquid electrolyte is proposed. The particles in the monolayer are arranged into the two-dimensional hexagonal crystal lattice. The model enables finding elastic constants of the crystals from the stress-strain dependencies. The model is based on the nonlinear Poisson-Boltzmann differential equation. The Poisson-Boltzmann equation is solved numerically by the finite element method for any spatial configuration. The model has five geometrical and electrical parameters. The model is used to study the crystal with particles comparable in size with the Debye length of the electrolyte. The first- and second-order elastic constants are found for a broad range of densities. The model crystal turns out to be stable relative to small uniform stretching and shearing. It is also demonstrated that the Cauchy relation is not fulfilled in the crystal. This means that the pair effective interaction of any kind is not sufficient to proper model the elasticity of colloids within the one-component approach.

Structural and elastic properties of AIBIIIC 2 VI semiconductors

Science.gov (United States)

Kumar, V.; Singh, Bhanu P.

2018-01-01

The plane wave pseudo-potential method within density functional theory has been used to calculate the structural and elastic properties of AIBIIIC 2 VI semiconductors. The electronic band structure, density of states, lattice constants (a and c), internal parameter (u), tetragonal distortion (η), energy gap (Eg), and bond lengths of the A-C (dAC) and B-C (dBC) bonds in AIBIIIC 2 VI semiconductors have been calculated. The values of elastic constants (Cij), bulk modulus (B), shear modulus (G), Young's modulus (Y), Poisson's ratio (υ), Zener anisotropy factor (A), Debye temperature (ϴD) and G/B ratio have also been calculated. The values of all 15 parameters of CuTlS2 and CuTlSe2 compounds, and 8 parameters of 20 compounds of AIBIIIC 2 VI family, except AgInS2 and AgInSe2, have been calculated for the first time. Reasonably good agreement has been obtained between the calculated, reported and available experimental values.

Anomalous Dimensions of Conformal Baryons

DEFF Research Database (Denmark)

Pica, Claudio; Sannino, Francesco

2016-01-01

We determine the anomalous dimensions of baryon operators for the three color theory as function of the number of massless flavours within the conformal window to the maximum known order in perturbation theory. We show that the anomalous dimension of the baryon is controllably small, within...

Hadronic vacuum polarization contribution to a_{\mu } from full lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Chakraborty, Bipasha; Davies, C. T. H.; de Oliveira, P. G.; Koponen, J.; Lepage, G. P.; Van de Water, R. S.

2017-08-01

We determine the contribution to the anomalous magnetic moment of the muon from the $\\alpha^2_{\\mathrm{QED}}$ hadronic vacuum polarization diagram using full lattice QCD and including $u/d$ quarks with physical masses for the first time. We use gluon field configurations that include $u$, $d$, $s$ and $c$ quarks in the sea at multiple values of the lattice spacing, multiple $u/d$ masses and multiple volumes that allow us to include an analysis of finite-volume effects. We obtain a result for $a_{\\mu}^{\\mathrm{HVP,LO}}$ of $667(6)(12)$, where the first error is from the lattice calculation and the second includes systematic errors from missing QED and isospin-breaking effects and from quark-line disconnected diagrams. Our result implies a discrepancy between the experimental determination of $a_{\\mu}$ and the Standard Model of 3$\\sigma$.

The thermo-elastic instability model of melting of alkali halides in the Debye approximation

Science.gov (United States)

Owens, Frank J.

2018-05-01

The Debye model of lattice vibrations of alkali halides is used to show that there is a temperature below the melting temperature where the vibrational pressure exceeds the electrostatic pressure. The onset temperature of this thermo-elastic instability scales as the melting temperature of NaCl, KCl, and KBr, suggesting its role in the melting of the alkali halides in agreement with a previous more rigorous model.

Pressure derivatives of elastic moduli of fused quartz to 10 kb

Science.gov (United States)

Peselnick, L.; Meister, R.; Wilson, W.H.

1967-01-01

Measurements of the longitudinal and shear moduli were made on fused quartz to 10 kb at 24??5??C. The anomalous behavior of the bulk modulus K at low pressure, ???K ???P 0, at higher pressures. The pressure derivative of the rigidity modulus ???G ???P remains constant and negative for the pressure range covered. A 15-kb hydrostatic pressure vessel is described for use with ultrasonic pulse instrumentation for precise measurements of elastic moduli and density changes with pressure. The placing of the transducer outside the pressure medium, and the use of C-ring pressure seals result in ease of operation and simplicity of design. ?? 1967.

Anomalous behavior of B1g mode in highly transparent anatase nano-crystalline Nb-doped Titanium Dioxide (NTO thin films

Directory of Open Access Journals (Sweden)

Subodh K. Gautam

2015-12-01

Full Text Available The effect of Niobium doping and size of crystallites on highly transparent nano-crystalline Niobium doped Titanium Dioxide (NTO thin films with stable anatase phase are reported. The Nb doping concentration is varied within the solubility limit in TiO2 lattice. Films were annealed in controlled environment for improving the crystallinity and size of crystallites. Elemental and thickness analysis were carried out using Rutherford backscattering spectrometry and cross sectional field emission scanning electron microscopy. Structural characteristics reveal a substitutional incorporation of Nb+5 in the TiO2 lattice which inhibits the anatase crystallites growth with increasing the doping percentage. The micro-Raman (MR spectra of films with small size crystallites shows stiffening of about 4 cm−1 for the Eg(1 mode and is ascribed to phonon confinement and non-stoichiometry. In contrast, B1g mode exhibits a large anomalous softening of 20 cm−1 with asymmetrical broadening; which was not reported for the case of pure TiO2 crystallites. This anomalous behaviour is explained by contraction of the apical Ti-O bonds at the surface upon substitutional Nb5+ doping induced reduction of Ti4+ ions also known as hetero-coordination effect. The proposed hypotheses is manifested through studying the electronic structure and phonon dynamics by performing the near edge x-ray absorption fine structure (NEXAFS and temperature dependent MR down to liquid nitrogen temperature on pure and 2.5 at.% doped NTO films, respectively.

Width difference in the B s0- overlineBs0 system from lattice HQET

Science.gov (United States)

Giménez, V.; Reyes, J.

2001-03-01

We present recent results for the prediction of the B s0- overlineBs0 lifetime difference from lattice Heavy Quark Effective Theory simulations. In order to get a next-to-leading order result we have calculated the matching between QCD and HQET and the two loop anomalous dimension in the HQET for all the Δ B = 2 operators, in particular for the operators which enter in the width difference. We obtain for the B s0- overlineBs0 lifetime difference, {ΔΓ B s}/{Γ B s} = (5.1 ± 1.9 ± 1.7) × 10 -2.

Lattice calculation of the leading strange quark-connected contribution to the muon g−2

Energy Technology Data Exchange (ETDEWEB)

Blum, T. [Physics Department, University of Connecticut,Storrs, CT 06269-3046 (United States); Boyle, P.A.; Debbio, L. Del [School of Physics and Astronomy, University of Edinburgh,Peter Guthrie Tait Road, Edinburgh EH9 3JZ (United Kingdom); Hudspith, R.J. [Department of Physics and Astronomy, York University,4700 Keele Street, Toronto, Ontario, M3J 1P3 (Canada); Izubuchi, T. [Physics Department, Brookhaven National Laboratory,Upton, NY 11973 (United States); RIKEN-BNL Research Center, Brookhaven National Laboratory,Upton, NY 11973 (United States); Jüttner, A. [School of Physics and Astronomy, University of Southampton,Southampton SO17 1BJ (United Kingdom); Lehner, C. [Physics Department, Brookhaven National Laboratory,Upton, NY 11973 (United States); Lewis, R. [Department of Physics and Astronomy, York University,4700 Keele Street, Toronto, Ontario, M3J 1P3 (Canada); Maltman, K. [Department of Mathematics and Statistics, York University,4700 Keele Street, Toronto, Ontario, M3J 1P3 (Canada); CSSM, University of Adelaide,Adelaide, SA 5005 (Australia); Marinković, M. Krstić [School of Physics and Astronomy, University of Southampton,Southampton SO17 1BJ (United Kingdom); CERN, Theoretical Physics Department, CERN,Geneva (Switzerland); Portelli, A. [School of Physics and Astronomy, University of Edinburgh,Peter Guthrie Tait Road, Edinburgh EH9 3JZ (United Kingdom); School of Physics and Astronomy, University of Southampton,Southampton SO17 1BJ (United Kingdom); Spraggs, M. [School of Physics and Astronomy, University of Southampton,Southampton SO17 1BJ (United Kingdom); Collaboration: The RBC/UKQCD collaboration

2016-04-11

We present results for the leading hadronic contribution to the muon anomalous magnetic moment due to strange quark-connected vacuum polarisation effects. Simulations were performed using RBC-UKQCD’s N{sub f}=2+1 domain wall fermion ensembles with physical light sea quark masses at two lattice spacings. We consider a large number of analysis scenarios in order to obtain solid estimates for residual systematic effects. Our final result in the continuum limit is a{sub μ}{sup (2)} {sup had,} {sup s}=53.1(9)({sub −3}{sup +1})×10{sup −10}.

Can I solve my structure by SAD phasing? Planning an experiment, scaling data and evaluating the useful anomalous correlation and anomalous signal.

Science.gov (United States)

Terwilliger, Thomas C; Bunkóczi, Gábor; Hung, Li Wei; Zwart, Peter H; Smith, Janet L; Akey, David L; Adams, Paul D

2016-03-01

A key challenge in the SAD phasing method is solving a structure when the anomalous signal-to-noise ratio is low. Here, algorithms and tools for evaluating and optimizing the useful anomalous correlation and the anomalous signal in a SAD experiment are described. A simple theoretical framework [Terwilliger et al. (2016), Acta Cryst. D72, 346-358] is used to develop methods for planning a SAD experiment, scaling SAD data sets and estimating the useful anomalous correlation and anomalous signal in a SAD data set. The phenix.plan_sad_experiment tool uses a database of solved and unsolved SAD data sets and the expected characteristics of a SAD data set to estimate the probability that the anomalous substructure will be found in the SAD experiment and the expected map quality that would be obtained if the substructure were found. The phenix.scale_and_merge tool scales unmerged SAD data from one or more crystals using local scaling and optimizes the anomalous signal by identifying the systematic differences among data sets, and the phenix.anomalous_signal tool estimates the useful anomalous correlation and anomalous signal after collecting SAD data and estimates the probability that the data set can be solved and the likely figure of merit of phasing.

Two-magnetization Nordheim model of randomly distributed Co local sites for the anomalous residual resistivity at the magnetic phase boundary of Y1-xRxCo2 system (R: rare earth)

International Nuclear Information System (INIS)

Yagasaki, K; Nakama, T; Takaesu, Y; Hedo, M; Uchima, K; Uwatoko, Y; Burkov, A

2009-01-01

The electrical resistivity ν of the Laves phase Y 1-x R x Co 2 compound system has been measured in magnetic fields up to 10 T and under pressures up to 8 GPa at temperatures from 1.5 to 300 K. The anomalous behavior of residual resistivity has been observed in a region x a , where x a is a critical concentration between inhomogeneously and homogeneously ordered phases, and which has a maximum at x c where T c ∼ 0 with a mean field acting on Co sub-lattice is equal to the itinerant Co metamagnetic critical field B c . In x c a , the magneto-resistivity and pressure resistivity are anomalously large with positive sign. However, in the paramagnetic region for x c , they are anomalously large but with negative sign. The anomalous behavior is attributed to the s-d scattering of conduction electrons due to statistically disordered Co magnetization. Those phenomena can be explained by a new scattering model of [Two magnetization Nordheim model for randomly distributed Co sites] introduced by us.

Neutron diffraction studies on lattice strain evolution around a crack-tip during tensile loading and unloading cycles

Energy Technology Data Exchange (ETDEWEB)

Sun Yinan [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States)]. E-mail: ysun1@utk.edu; Choo, Hahn [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Metals and Ceramics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Liaw, Peter K. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Lu Yulin [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Yang Bing [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Brown, Donald W. [Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Bourke, Mark A.M. [Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

2005-10-15

Elastic lattice-strain profiles ahead of a fatigue-crack-tip were measured during tensile loading and unloading cycles using neutron diffraction. The crack-closure phenomenon after an overload was observed. Furthermore, the plastic-zone size in front of the crack-tip was estimated from the diffraction-peak broadening, which showed good agreement with the calculated result.

Effects of elastic anisotropy on mechanical behavior of intermetallic compounds

International Nuclear Information System (INIS)

Yoo, M.H.

1991-01-01

Fundamental aspects of the deformation and fracture behavior of ordered intermetallic compounds are examined within the framework of linear anisotropic elasticity theory of dislocations and cracks. The orientation dependence and the tension/compression asymmetry of yield stress are explained in terms of the anisotropic coupling effect of non-glide stresses to the glide strain. The anomalous yield behavior is related to the disparity (edge/screw) of dislocation mobility and the critical stress required for the dislocation multiplication mechanism of Frank-Read type. The slip-twin conjugate relationship, extensive faulting, and pseudo-twinning (martensitic transformation) at a crack tip can be enhanced also by the anisotropic coupling effect, which may lead to transformation toughening of shear type

Direct observation of the lattice precursor of the metal-to-insulator transition in V2O3 thin films by surface acoustic waves

Science.gov (United States)

Kündel, J.; Pontiller, P.; Müller, C.; Obermeier, G.; Liu, Z.; Nateprov, A. A.; Hörner, A.; Wixforth, A.; Horn, S.; Tidecks, R.

2013-03-01

A surface acoustic wave (SAW) delay line is used to study the metal-to-insulator (MI) transition of V2O3 thin films deposited on a piezoelectric LiNbO3 substrate. Effects contributing to the sound velocity shift of the SAW which are caused by elastic properties of the lattice of the V2O3 films when changing the temperature are separated from those originating from the electrical conductivity. For this purpose the electric field accompanying the elastic wave of the SAW has been shielded by growing the V2O3 film on a thin metallic Cr interlayer (coated with Cr2O3), covering the piezoelectric substrate. Thus, the recently discovered lattice precursor of the MI transition can be directly observed in the experiments, and its fine structure can be investigated.

First-principles investigations on structural, elastic and mechanical properties of BNxAs1‑x ternary alloys

Science.gov (United States)

Zhang, Junqin; Ma, Huihui; Zhao, Bin; Wei, Qun; Yang, Yintang

2018-05-01

A systematic investigation of the structural optimization, elastic and mechanical properties of the BNxAs1‑x ternary alloys are reported in the present work using the density-functional theory with the generalized gradient approximation (GGA) of the exchange-correlation functional. Some of the constants which are used to analyze the properties including elastic constants and modulus, and some parameters describing the elastic anisotropy and Debye temperature are also calculated. Our calculations were performed to evaluate the equilibrium lattice constant and band structure compared with the available theoretical works. On the one hand, our results might be expected to provide a theoretical basis for future study of BNxAs1‑x alloys towards elastic or mechanical properties. On the other hand, we draw a conclusion that BNxAs1‑x alloys show direct bandgap when x equals 0.25, 0.5 or 0.75. We obtained the elastic modulus, Poisson’s ratio and universal anisotropic index which are used to demonstrate the elastic anisotropy of these alloys which is proved according to our calculations. Also, we calculated the Debye temperature to illustrate covalent interactions and obtained the lower limit of the thermal conductivity for further research.

Lattice QCD Calculation of Nucleon Structure

International Nuclear Information System (INIS)

Liu, Keh-Fei; Draper, Terrence

2016-01-01

anomalous Ward identity. Recently, we have started to include multiple lattices with different lattice spacings and different volumes including large lattices at the physical pion mass point. We are getting quite close to being able to calculate the hadron structure at the physical point and to do the continuum and large volume extrapolations, which is our ultimate aim. We have now finished several projects which have included these systematic corrections. They include the leptonic decay width of the ρ, the πN sigma and strange sigma terms, and the strange quark magnetic moment. Over the years, we have also studied hadron spectroscopy with lattice calculations and in phenomenology. These include Roper resonance, pentaquark state, charmonium spectrum, glueballs, scalar mesons a_0(1450) and σ(600) and other scalar mesons, and the 1"-"+ meson. In addition, we have employed the canonical approach to explore the first-order phase transition and the critical point at finite density and finite temperature. We have also discovered a new parton degree of freedom -- the connected sea partons, from the path-integral formulation of the hadronic tensor, which explains the experimentally observed Gottfried sum rule violation. Combining experimental result on the strange parton distribution, the CT10 global fitting results of the total u and d anti-partons and the lattice result of the ratio of the momentum fraction of the strange vs that of u or d in the disconnected insertion, we have shown that the connected sea partons can be isolated. In this final technical report, we shall present a few representative highlights that have been achieved in the project.

Ab initio study of the elastic properties of sodium chloride at high pressure

International Nuclear Information System (INIS)

Liu Lei; Bi Yan; Xu Jian; Chen Xiangrong

2010-01-01

The equation of state and elastic properties for B1- and B2-NaCl up to 160 GPa have been studied by using the density functional simulation within the generalized gradient approximation (GGA). The calculated lattice constants of NaCl agree well with experimental values in a precision of 0.1% over the pressure range studied. It is found that the cell volume decreases 5.5% at the phase transition point. All three independent elastic stiffness coefficients, c 11 , c 12 and c 44 for B1- and B2-NaCl are evaluated by a calculated stress tensor which was generated by forcing small strain to the optimized unit cell. The calculated zero-pressure elastic moduli, wave velocities, and their initial pressure dependences of B1-NaCl are in excellent agreement with experiments. Systematic investigation on the elasticity of NaCl has been done through four parameters, the Zener anisotropy ratio (A Z ), the acoustic anisotropy factor (A a ), the Cauchy deviation (δ), and the normalized elastic constants (c ij '). With the pressure, the Zener anisotropy ratio A Z decreases in the B1-phase, but increases in the B2-phase and reaches 1 at about 174 GPa, it suggests that NaCl would become elastic isotropic at this pressure range. The acoustic anisotropy factor A a shows the similar pressure behavior as A Z . The Cauchy deviation (δ)) increases with pressures, it demonstrates that in the interatomic interaction, the many-body contribution becomes more important at higher pressures. A discussion on the normalized elastic constants is also presented.

Quenched and first unquenched lattice HQET determination of the Bs-meson width difference

Science.gov (United States)

Giménez, V.; Reyes, J.

2001-03-01

We present recent results for the prediction of the B0s- overlineB0s lifetime difference from lattice Heavy Quark Effective Theory simulations. In order to get a next-to-leading order result we have calculated the matching between QCD and HQET and the two-loop anomalous dimensions in the HQET for all the Δ B=2 operators, in particular for the operators which enter the width difference. We present results from quenched and, for the first time, from unquenched simulations. We obtain for the B0s- overlineB0s lifetime difference, ? and ? from the quenched and unquenched simulations respectively.

Shear deformation and relaxed lattice constant of (Ga,Mn)As layers on GaAs(113)A

Energy Technology Data Exchange (ETDEWEB)

Dreher, Lukas; Daeubler, Joachim; Glunk, Michael; Schoch, Wladimir; Limmer, Wolfgang; Sauer, Rolf [Institut fuer Halbleiterphysik, Universitaet Ulm, D-89069 Ulm (Germany)

2008-07-01

The shear deformation and the relaxed lattice constant of compressively strained (Ga,Mn)As layers with Mn concentrations of up to 5%, pseudomorphically grown on GaAs(113)A and GaAs(001) substrates by low-temperature molecular-beam epitaxy, have been studied by high resolution X-ray diffraction (HRXRD) measurements. Rocking curves reveal a triclinic distortion of the (113)A layers with a shear direction towards the [001] crystallographic axis, whereas the (001) layers are tetragonally distorted along [001]. The relaxed lattice constants were derived from {omega}-2{theta} scans for the symmetric (113) and (004) Bragg reflections, taking the elastic anisotropy of the cubic system into account. The increase of the lattice constant with Mn content has been found to be smaller for the (113)A layers than for the (001) layers, presumably due to the enhanced amount of excess As in the (113)A layers.

Anomalous Hall effect in polycrystalline Ni films

KAUST Repository

Guo, Zaibing

2012-02-01

We systematically studied the anomalous Hall effect in a series of polycrystalline Ni films with thickness ranging from 4 to 200 nm. It is found that both the longitudinal and anomalous Hall resistivity increased greatly as film thickness decreased. This enhancement should be related to the surface scattering. In the ultrathin films (46 nm thick), weak localization corrections to anomalous Hall conductivity were studied. The granular model, taking into account the dominated intergranular tunneling, has been employed to explain this phenomenon, which can explain the weak dependence of anomalous Hall resistivity on longitudinal resistivity as well. © 2011 Elsevier Ltd. All rights reserved.

Lattice-induced nonadiabatic frequency shifts in optical lattice clocks

International Nuclear Information System (INIS)

Beloy, K.

2010-01-01

We consider the frequency shift in optical lattice clocks which arises from the coupling of the electronic motion to the atomic motion within the lattice. For the simplest of three-dimensional lattice geometries this coupling is shown to affect only clocks based on blue-detuned lattices. We have estimated the size of this shift for the prospective strontium lattice clock operating at the 390-nm blue-detuned magic wavelength. The resulting fractional frequency shift is found to be on the order of 10 -18 and is largely overshadowed by the electric quadrupole shift. For lattice clocks based on more complex geometries or other atomic systems, this shift could potentially be a limiting factor in clock accuracy.

The elastic and thermodynamic properties of ZrMo2 from first principles calculations

International Nuclear Information System (INIS)

Liu, Xian-Kun; Zhou, Wei; Zheng, Zhou; Peng, Shu-Ming

2014-01-01

Highlights: • Elastic and thermodynamic properties of ZrMo 2 under high temperature and pressure are calculated by first principles. • Mechanical stability is testified from elastic constants at zero pressure. • Phonon scattering of ZrMo 2 under different temperature are obtained. - Abstract: The elastic and thermodynamic properties of ZrMo 2 under high temperature and pressure are investigated by first-principles calculations based on pseudopotential plane-wave density functional theory (DFT) within the generalized gradient approximation (GGA) and quasi-harmonic Debye model. The calculated lattice parameters are in good agreement with the available experimental data. The calculated elastic constants of ZrMo 2 increase monotonically with increasing pressure, and the relationship between the elastic constants and pressure show that ZrMo 2 satisfies the mechanical stability criteria under applied pressure (0–65 GPa). The related mechanical properties such as bulk modulus (B), shear modulus (G), Young’s modulus (E), and Poisson’s ratio (v) are also studied for polycrystalline of ZrMo 2 . The calculated B/G value shows that ZrMo 2 behaves in a ductile manner, and higher pressure can significantly improve the ductility of ZrMo 2 . The pressure and temperature dependencies of the relative volume, the bulk modulus, the elastic constants, the heat capacity and the thermal expansion coefficient, as well as the Grüneisen parameters are obtained and discussed by the quasi-harmonic Debye model in the ranges of 0–1800 K and 0–65 GPa

Multiscale model for microstructure evolution in multiphase materials: Application to the growth of isolated inclusions in presence of elasticity.

Science.gov (United States)

Perez, Danny; Lewis, Laurent J

2006-09-01

We present a multiscale model based on the classical lattice time-dependent density-functional theory to study microstructure evolution in multiphase systems. As a first test of the method, we study the static and dynamic properties of isolated inclusions. Three cases are explored: elastically homogeneous systems, elastically inhomogeneous systems with soft inclusions, and elastically inhomogeneous systems with hard inclusions. The equilibrium properties of inclusions are shown to be consistent with previous results: both homogeneous and hard inclusions adopt a circular shape independent of their size, whereas soft inclusions are circular below a critical radius and elliptic above. In all cases, the Gibbs-Thomson relation is obeyed, except for a change in the prefactor at the critical radius in soft inclusions. Under growth conditions, homogeneous inclusions exhibit a Mullins-Sekerka shape instability [W. Mullins and R. Sekerka, J. Appl. Phys. 34, 323 (1963)], whereas in inhomogeneous systems, the growth of perturbations follows the Leo-Sekerka model [P. Leo and R. Sekerka, Acta Metall. 37, 3139 (1989)]. For soft inclusions, the mode instability regime is gradually replaced by a tip-growing mechanism, which leads to stable, strongly out-of-equilibrium shapes even at very low supersaturation. This mechanism is shown to significantly affect the growth dynamics of soft inclusions, whereas dynamical corrections to the growth rates are negligible in homogeneous and hard inclusions. Finally, due to its microscopic formulation, the model is shown to automatically take into account phenomena caused by the presence of the underlying discrete lattice: anisotropy of the interfacial energy, anisotropy of the kinetics, and preferential excitation of shape perturbations commensurate with the rotational symmetry of the lattice.

Iota(1440), anomalous Ward identities, and topological susceptibility for QCD

International Nuclear Information System (INIS)

Williams, P.G.

1986-01-01

Anomalous Ward identities for QCD are comprehensively analyzed taking into account contributions of all known pseudoscalar mesons, including the iota(1440 MeV) which is a possible glueball candidate. Implications for the standard resolution of the U(1) problem are examined by imposing the important and crucial constraint of positivity for the topological susceptibility. The pure Yang-Mills susceptibility: a quantity relevant in quenched lattice calculations: is shown to increase quite considerably in the presence of the iota, while the total susceptibility is reduced and may even vanish. Allowed ranges for the axial couplings are delineated and two classes of solution emerge: one corresponding to an iota with suppressed singlet axial coupling; the other to a large eta'-like coupling. It may be possible to discriminate between these two alternatives by measurements of the branching ratio for iota→KK-barπ: values near 100% give suppressed couplings; values below 50% unsuppressed ones

Features of the non-collinear one-phonon anomalous light scattering controlled by elastic waves with elevated linear losses: potentials for multi-frequency parallel spectrum analysis of radio-wave signals.

Science.gov (United States)

Shcherbakov, Alexandre S; Arellanes, Adan Omar

2017-12-01

During subsequent development of the recently proposed multi-frequency parallel spectrometer for precise spectrum analysis of wideband radio-wave signals, we study potentials of new acousto-optical cells exploiting selected crystalline materials at the limits of their capabilities. Characterizing these wide-aperture cells is non-trivial due to new features inherent in the chosen regime of an advanced non-collinear one-phonon anomalous light scattering by elastic waves with significantly elevated acoustic losses. These features can be observed simpler in uniaxial, tetragonal, and trigonal crystals possessing linear acoustic attenuation. We demonstrate that formerly studied additional degree of freedom, revealed initially for multi-phonon regimes of acousto-optical interaction, can be identified within the one-phonon geometry as well and exploited for designing new cells. We clarify the role of varying the central acoustic frequency and acoustic attenuation using the identified degree of freedom. Therewith, we are strongly restricted by a linear regime of acousto-optical interaction to avoid the origin of multi-phonon processes within carrying out a multi-frequency parallel spectrum analysis of radio-wave signals. Proof-of-principle experiments confirm the developed approaches and illustrate their applicability to innovative technique for an advanced spectrum analysis of wideband radio-wave signals with the improved resolution in an extended frequency range.

Heavy-light mesons in lattice HQET and QCD

International Nuclear Information System (INIS)

Guazzini, D.

2007-12-01

We present a study of a combination of HQET and relativistic QCD to extract the b-quark mass and the B s -meson decay constant from lattice quenched simulations. We start from a small volume, where one can directly simulate the b-quark, and compute the connection to a large volume, where finite size effects are negligible, through a finite size technique. The latter consists of steps extrapolated to the continuum limit, where the b-region is reached through interpolations guided by the effective theory. With the lattice spacing given in terms of the Sommer's scale r 0 and the experimental B s and K masses, we get the final results for the renormalization group invariant mass M b =6.88(10) GeV, translating into anti m b (anti m b )=4.42(6) GeV in the MS scheme, and f B s =191(6) MeV for the decay constant. A renormalization condition for the chromo-magnetic operator, responsible, at leading order in the heavy quark mass expansion of HQET, for the mass splitting between the pseudoscalar and the vector channel in mesonic heavy-light bound states, is provided in terms of lattice correlations functions which well suits a non-perturbative computation involving a large range of renormalization scales and no valence quarks. The two-loop expression of the corresponding anomalous dimension in the Schroedinger functional (SF) scheme is computed starting from results in the literature; it requires a one-loop calculation in the SF scheme with a non-vanishing background field. The cutoff effects affecting the scale evolution of the renormalization factors are studied at one-loop order, and confirmed by non-perturbative quenched computations to be negligible for the numerical precision achievable at present. (orig.)

Heavy-light mesons in lattice HQET and QCD

Energy Technology Data Exchange (ETDEWEB)

Guazzini, D.

2007-12-15

We present a study of a combination of HQET and relativistic QCD to extract the b-quark mass and the B{sub s}-meson decay constant from lattice quenched simulations. We start from a small volume, where one can directly simulate the b-quark, and compute the connection to a large volume, where finite size effects are negligible, through a finite size technique. The latter consists of steps extrapolated to the continuum limit, where the b-region is reached through interpolations guided by the effective theory. With the lattice spacing given in terms of the Sommer's scale r{sub 0} and the experimental B{sub s} and K masses, we get the final results for the renormalization group invariant mass M{sub b}=6.88(10) GeV, translating into anti m{sub b}(anti m{sub b})=4.42(6) GeV in the MS scheme, and f{sub B{sub s}}=191(6) MeV for the decay constant. A renormalization condition for the chromo-magnetic operator, responsible, at leading order in the heavy quark mass expansion of HQET, for the mass splitting between the pseudoscalar and the vector channel in mesonic heavy-light bound states, is provided in terms of lattice correlations functions which well suits a non-perturbative computation involving a large range of renormalization scales and no valence quarks. The two-loop expression of the corresponding anomalous dimension in the Schroedinger functional (SF) scheme is computed starting from results in the literature; it requires a one-loop calculation in the SF scheme with a non-vanishing background field. The cutoff effects affecting the scale evolution of the renormalization factors are studied at one-loop order, and confirmed by non-perturbative quenched computations to be negligible for the numerical precision achievable at present. (orig.)

Influence of Nd dopants on lattice parameters and thermal and elastic properties in YVO4 single crystals

International Nuclear Information System (INIS)

Kucytowski, J.; Wokulska, K.; Kazmierczak-Balata, A.; Bodzenta, J.; Lukasiewicz, T.; Hofman, B.; Pyka, M.

2008-01-01

The influence of neodymium doping on YVO 4 single crystals has been studied. The crystals were grown by the Czochralski method. One of them was pure YVO 4 and the others were doped with neodymium (YVO 4 :Nd) at various concentrations of Nd = 0.3-3.0 at.%. The changes of the lattice parameters were determined by the Bond's method [W.L. Bond, Acta Cryst. 13 (1960) 814]. The thermal diffusivity and the velocity of ultrasound using the photothermal method with mirage effect and the pulse echo method [J. Bodzenta, M. Pyka, J. Phys. IV France 137 (2006) 259] were measured. In the examined crystals, it was found that the lattice parameters increase while the thermal diffusivity decreases with increasing concentration of Nd atoms

Non-perturbative investigation of current correlators in twisted mass lattice QCD

International Nuclear Information System (INIS)

Petschlies, Marcus

2013-01-01

We present an investigation of hadronic current-current correlators based on the first principles of Quantum Chromodynamics. Specifically we apply the non-perturbative methods of twisted mass lattice QCD with dynamical up and down quark taking advantage of its automatic O(a) improvement. As a special application we discuss the calculation of the hadronic leading order contribution to the muon anomalous magnetic moment. The latter is regarded as a promising quantity for the search for physics beyond the standard model. The origin of the strong interest in the muon anomaly lies in the persistent discrepancy between the standard model estimate and its experimental measurement. In the theoretical determination the hadronic leading order part is currently afflicted with the largest uncertainty and a dedicated lattice investigation of the former can be of strong impact on future estimates. We discuss our study of all systematic uncertainties in the lattice calculation, including three lattice volumes, two lattice spacings, pion masses from 650 MeV to 290 MeV and the quark-disconnected contribution. We present a new method for the extrapolation to the physical point that softens the pion mass dependence of a μ hlo and allows for a linear extrapolation with small statistical uncertainty at the physical point. We determine the contribution of up and down quark as a μ hlo (N f =2)=5.69(15)10 -8 . The methods used for the muon are extended to the electron and tau lepton and we find a e hlo (N f =2)=1.512(43)10 -12 and a τ hlo (N f =2)=2.635(54)10 -6 . We estimate the charm contribution to a μ hlo in partially quenched tmLQCD with the result a μ hlo (charm)=1.447(24)(30)10 -9 in very good agreement with a dispersion-relation based result using experimental data for the hadronic R-ratio.

Lattice dynamics in solid oxygen

International Nuclear Information System (INIS)

Kobashi, K.; Klein, M.L.; Chandrasekharan, V.

1979-01-01

Lattice dynamical calculations for the bulk α, β, and γ phases of solid O 2 and for the monolayer α and β phases have been made in the harmonic approximation. In the α and β phases, atom-atom 6-12 potentials are employed. In the γ phase, effective potentials are used between molecular centers and only the translational lattice vibrations are calculated. It is found that Laufer and Leroi's potential parameters give two k=O frequencies at 42.7 and 43.6 cm -1 in the bulk α-O 2 , and at 40.7 cm -1 for the degenerate k=0 modes in the β phase. The observed Raman lines for α-O 2 at 43 and 79 cm -1 , which are both known to exhibit isotope shifts, are thus tentatively assigned to an accidentally degenerate line and a two-phonon band, respectively, In view of the possible contribution from anharmonic effects, the agreement of the calculation with experiment (48-51 cm -1 ) in β-O 2 may be better than it seems. For the bulk γ-O 2 , a discrepancy is observed between the calculated elastic constants and those derived from Brillouin scattering experiments. This discrepancy may be due to the neglect of translation-rotation coupling. In the monolayer O 2 , Raman active modes at 28.3 and 40.6 cm -1 for the α phase, and 31.9 cm -1 for the β phase are predicted

Lattice strings

International Nuclear Information System (INIS)

Thorn, C.B.

1988-01-01

The possibility of studying non-perturbative effects in string theory using a world sheet lattice is discussed. The light-cone lattice string model of Giles and Thorn is studied numerically to assess the accuracy of ''coarse lattice'' approximations. For free strings a 5 by 15 lattice seems sufficient to obtain better than 10% accuracy for the bosonic string tachyon mass squared. In addition a crude lattice model simulating string like interactions is studied to find out how easily a coarse lattice calculation can pick out effects such as bound states which would qualitatively alter the spectrum of the free theory. The role of the critical dimension in obtaining a finite continuum limit is discussed. Instead of the ''gaussian'' lattice model one could use one of the vertex models, whose continuum limit is the same as a gaussian model on a torus of any radius. Indeed, any critical 2 dimensional statistical system will have a stringy continuum limit in the absence of string interactions. 8 refs., 1 fig. , 9 tabs

Assessing exchange-correlation functionals for elasticity and thermodynamics of α -ZrW2O8 : A density functional perturbation theory study

Science.gov (United States)

Weck, Philippe F.; Kim, Eunja; Greathouse, Jeffery A.; Gordon, Margaret E.; Bryan, Charles R.

2018-04-01

Elastic and thermodynamic properties of negative thermal expansion (NTE) α -ZrW2O8 have been calculated using PBEsol and PBE exchange-correlation functionals within the framework of density functional perturbation theory (DFPT). Measured elastic constants are reproduced within ∼ 2 % with PBEsol and ∼ 6 % with PBE. The thermal evolution of the Grüneisen parameter computed within the quasi-harmonic approximation exhibits negative values below the Debye temperature, consistent with observation. The standard molar heat capacity is predicted to be CP0 = 192.2 and 193.8 J mol-1K-1 with PBEsol and PBE, respectively. These results suggest superior accuracy of DFPT/PBEsol for studying the lattice dynamics, elasticity and thermodynamics of NTE materials.

Novel elastic, lattice dynamics and thermodynamic properties of metallic single-layer transition metal phosphides: 2H-M 2P (Mo2P, W2P, Nb2P and Ta2P)

Science.gov (United States)

Yin, Jiuren; Wu, Bozhao; Wang, Yanggang; Li, Zhimi; Yao, Yuanpeng; Jiang, Yong; Ding, Yanhuai; Xu, Fu; Zhang, Ping

2018-04-01

Recently, there has been a surge of interest in the research of two-dimensional (2D) phosphides due to their unique physical properties and wide applications. Transition metal phosphides 2H-M 2Ps (Mo2P, W2P, Nb2P and Ta2P) show considerable catalytic activity and energy storage potential. However, the electronic structure and mechanical properties of 2D 2H-M 2Ps are still unrevealed. Here, first-principles calculations are employed to investigate the lattice dynamics, elasticity and thermodynamic properties of 2H-M 2Ps. Results show that M 2Ps with lower stiffness exhibit remarkable lateral deformation under unidirectional loads. Due to the largest average Grüneisen parameter, single-layer Nb2P has the strongest anharmonic vibrations, resulting in the highest thermal expansion coefficient. The lattice thermal conductivities of Ta2P, W2P and Nb2P contradict classical theory, which would predict a smaller thermal conductivity due to the much heavier atom mass. Moreover, the calculations also demonstrate that the thermal conductivity of Ta2P is the highest as well as the lowest thermal expansion, owing to its weak anharmonic phonon scattering and the lowest average Grüneisen parameter. The insight provided by this study may be useful for future experimental and theoretical studies concerning 2D transition metal phosphide materials.

Tunneling Anomalous and Spin Hall Effects.

Science.gov (United States)

Matos-Abiague, A; Fabian, J

2015-07-31

We predict, theoretically, the existence of the anomalous Hall effect when a tunneling current flows through a tunnel junction in which only one of the electrodes is magnetic. The interfacial spin-orbit coupling present in the barrier region induces a spin-dependent momentum filtering in the directions perpendicular to the tunneling current, resulting in a skew tunneling even in the absence of impurities. This produces an anomalous Hall conductance and spin Hall currents in the nonmagnetic electrode when a bias voltage is applied across the tunneling heterojunction. If the barrier is composed of a noncentrosymmetric material, the anomalous Hall conductance and spin Hall currents become anisotropic with respect to both the magnetization and crystallographic directions, allowing us to separate this interfacial phenomenon from the bulk anomalous and spin Hall contributions. The proposed effect should be useful for proving and quantifying the interfacial spin-orbit fields in metallic and metal-semiconductor systems.

Lattice dynamic properties of Rh2XAl (X=Fe and Y) alloys

Science.gov (United States)

Al, Selgin; Arikan, Nihat; Demir, Süleyman; Iyigör, Ahmet

2018-02-01

The electronic band structure, elastic and vibrational spectra of Rh2FeAl and Rh2YAl alloys were computed in detail by employing an ab-initio pseudopotential method and a linear-response technique based on the density-functional theory (DFT) scheme within a generalized gradient approximation (GGA). Computed lattice constants, bulk modulus and elastic constants were compared. Rh2YAl exhibited higher ability to resist volume change than Rh2FeAl. The elastic constants, shear modulus, Young modulus, Poisson's ratio, B/G ratio electronic band structure, total and partial density of states, and total magnetic moment of alloys were also presented. Rh2FeAl showed spin up and spin down states whereas Rh2YAl showed none due to being non-magnetic. The calculated total densities of states for both materials suggest that both alloys are metallic in nature. Full phonon spectra of Rh2FeAl and Rh2YA1 alloys in the L21 phase were collected using the ab-initio linear response method. The obtained phonon frequencies were in the positive region indicating that both alloys are dynamically stable.

Rho resonance parameters from lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Guo, Dehua; Alexandru, Andrei; Molina, Raquel; Döring, Michael

2016-08-01

We perform a high-precision calculation of the phase shifts for $\\pi$-$\\pi$ scattering in the I = 1, J = 1 channel in the elastic region using elongated lattices with two mass-degenerate quark favors ($N_f = 2$). We extract the $\\rho$ resonance parameters using a Breit-Wigner fit at two different quark masses, corresponding to $m_{\\pi} = 226$MeV and $m_{\\pi} = 315$MeV, and perform an extrapolation to the physical point. The extrapolation is based on a unitarized chiral perturbation theory model that describes well the phase-shifts around the resonance for both quark masses. We find that the extrapolated value, $m_{\\rho} = 720(1)(15)$MeV, is significantly lower that the physical rho mass and we argue that this shift could be due to the absence of the strange quark in our calculation.

Anomalous dispersion enhanced Cerenkov phase-matching

Energy Technology Data Exchange (ETDEWEB)

Kowalczyk, T.C.; Singer, K.D. [Case Western Reserve Univ., Cleveland, OH (United States). Dept. of Physics; Cahill, P.A. [Sandia National Labs., Albuquerque, NM (United States)

1993-11-01

The authors report on a scheme for phase-matching second harmonic generation in polymer waveguides based on the use of anomalous dispersion to optimize Cerenkov phase matching. They have used the theoretical results of Hashizume et al. and Onda and Ito to design an optimum structure for phase-matched conversion. They have found that the use of anomalous dispersion in the design results in a 100-fold enhancement in the calculated conversion efficiency. This technique also overcomes the limitation of anomalous dispersion phase-matching which results from absorption at the second harmonic. Experiments are in progress to demonstrate these results.

Lattice dynamics of α-cerium

International Nuclear Information System (INIS)

Smith, G.S.

1985-01-01

The lattice dynamics of the fcc α-phase of cerium metal was investigated using inelastic neutron scattering techniques. This phase of cerium is an example of a mixed-valent system. Various physical properties of α-Ce suggest that there may be coupling between the phonons and the f d transitions associated with the mixed valence phenomenon. These measurements of the dispersion curves provide important information about the electron-phonon interaction in this phase of cerium. These studies were not performed in the past because single crystals of α-Ce were not available. We were able to prepare a single α-Ce crystal using a high temperature, high pressure technique. The sample was of sufficient size for inelastic neutron scattering experiments, but the measurements were complicated because of the large mosaic spread (approx.7.0 0 ) of the crystal. It was possible, however, to obtain a set of dispersion curves along the [00zeta], [zeta,zeta,0], and [zeta,zeta,zeta] symmetry directions. Comparison of the dispersion curves with those of fcc γ-Ce indicate that the branches exhibit anomalous features that may be related to the mixed-valence effects

Studying the effect of stress relaxation and creep on lattice strain evolution of stainless steel under tension

International Nuclear Information System (INIS)

Wang, H.; Clausen, B.; Tomé, C.N.; Wu, P.D.

2013-01-01

Due to relatively long associated count times, in situ strain measurements using neutron diffraction requires periodic interruption of the test to collect the diffraction data by holding either the stress or the strain constant. As a consequence, stress relaxation or strain creep induced by the interrupts is inevitable, especially at loads which are close to the flow stress of the material. An in situ neutron diffraction technique, which consists in performing the diffraction measurements using continuous event-mode data collection while conducting the mechanical loading monotonically with a very slow loading rate, is proposed here to avoid the effects associated with interrupts. The lattice strains in stainless steel under uniaxial tension are measured using the three techniques, and the experimental results are compared to study the effect of stress relaxation and strain creep on the lattice strain measurements. The experimental results are simulated using both the elastic viscoplastic self-consistent (EVPSC) model and the elastic plastic self-consistent (EPSC) model. Both the EVPSC and EPSC models give reasonable predictions for all the three tests, with EVPSC having the added advantage over EPSC that it allows us to address the relaxation and creep effects in the interrupted tests

Anomalous diffusion in chaotic scattering

International Nuclear Information System (INIS)

Srokowski, T.; Ploszajczak, M.

1994-01-01

The anomalous diffusion is found for peripheral collision of atomic nuclei described in the framework of the molecular dynamics. Similarly as for chaotic billiards, the long free paths are the source of the long-time correlations and the anomalous diffusion. Consequences of this finding for the energy dissipation in deep-inelastic collisions and the dynamics of fission in hot nuclei are discussed (authors). 30 refs., 2 figs

Anomalous x-ray radiation of beam plasma

International Nuclear Information System (INIS)

Dimitrov, S.K.; Zavyalov, M.A.; Mikhin, S.G.; Tarasenkov, V.A.; Telkovskij, V.G.; Khrabrov, V.A.

1985-01-01

The properties of non-equilibrium stationary plasma under the conditions of the planned plasma-chemical reactors based on beam-plasma discharge were investigated. The x-ray spectrum of the beam-plasma was measured and anomalous spectral properties were analyzed. Starting with some critical pressure the anomalous radiation was added to the classical bremsstrahlung spectrum. The occurrence of anomalous radiation can be used to diagnose the condition of beam transportation in such systems. (D.Gy.)

Anomalous osmosis resulting from preferential absorption

NARCIS (Netherlands)

Staverman, A.J.; Kruissink, C.A.; Pals, D.T.F.

1965-01-01

An explanation of the anomalous osmosis described in the preceding paper is given in terms of friction coefficients in the glass membrane. It is shown that anomalous osmosis may be expected when the friction coefficients are constant and positive provided that the membrane absorbs solute strongly

Mesoscopic approach to modeling elastic-plastic polycrystalline material behaviour

International Nuclear Information System (INIS)

Kovac, M.; Cizelj, L.

2001-01-01

Extreme loadings during severe accident conditions might cause failure or rupture of the pressure boundary of a reactor coolant system. Reliable estimation of the extreme deformations can be crucial to determine the consequences of such an accident. One of important drawbacks of classical continuum mechanics is idealization of inhomogenous microstructure of materials. This paper discusses the mesoscopic approach to modeling the elastic-plastic behavior of a polycrystalline material. The main idea is to divide the continuum (e.g., polycrystalline aggregate) into a set of sub-continua (grains). The overall properties of the polycrystalline aggregate are therefore determined by the number of grains in the aggregate and properties of randomly shaped and oriented grains. The random grain structure is modeled with Voronoi tessellation and random orientations of crystal lattices are assumed. The elastic behavior of monocrystal grains is assumed to be anisotropic. Crystal plasticity is used to describe plastic response of monocrystal grains. Finite element method is used to obtain numerical solutions of strain and stress fields. The analysis is limited to two-dimensional models.(author)

Theoretical study of elastic, mechanical and thermodynamic properties of MgRh intermetallic compound

Directory of Open Access Journals (Sweden)

S. Boucetta

2014-03-01

Full Text Available In the last years, Magnesium alloys are known to be of great technological importance and high scientific interest. In this work, density functional theory plane-wave pseudo potential method, with local density approximation (LDA and generalized gradient approximation (GGA are used to perform first-principles quantum mechanics calculations in order to investigate the structural, elastic and mechanical properties of the intermetallic compound MgRh with a CsCl-type structure. Comparison of the calculated equilibrium lattice constant and experimental data shows good agreement. The elastic constants were determined from a linear fit of the calculated stress–strain function according to Hooke's law. From the elastic constants, the bulk modulus B, shear modulus G, Young's modulus E, Poisson's ratio σ, anisotropy factor A and the ratio B/G for MgRh compound are obtained. The sound velocities and Debye temperature are also predicted from elastic constants. Finally, the linear response method has been used to calculate the thermodynamic properties. The temperature dependence of the enthalpy H, free energy F, entropy S, and heat capacity at constant volume Cv of MgRh crystal in a quasi-harmonic approximation have been obtained from phonon density of states and discussed for the first report. This is the first quantitative theoretical prediction of these properties.

Structural, electronic and elastic properties of REIr{sub 2} (RE=La and Ce) Laves phase compounds

Energy Technology Data Exchange (ETDEWEB)

Shrivastava, Deepika, E-mail: deepika89shrivastava@gmail.com; Fatima, Bushra; Sanyal, Sankar P. [Department of Physics, Barkatullah University, Bhopal, 462026 (India)

2016-05-23

REIr{sub 2} (RE = La and Ce) Laves phase intermetallic compounds were investigated with respect to their structural, electronic and elastic properties using full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation (GGA) as implemented in WIEN2k code. The ground state properties such as lattice constants (a{sub 0}), bulk modulus (B), pressure derivative of bulk modulus (B′) and density of state at Fermi level N(E{sub F}) have been obtained by optimization method. The electronic structure (BS, TDOS and PDOS) reveals that these Laves phase compounds are metallic in nature. The calculated elastic constants indicate that these compounds are mechanically stable at ambient pressure and found to be ductile in nature.

Elastic properties and electron transport in InAs nanowires

Energy Technology Data Exchange (ETDEWEB)

Migunov, Vadim

2013-02-22

was found that the lattice distortion due to stacking fault does not affect the Young's modulus significantly. The effect of electron density redistribution is suggested as the main aspect which is responsible for an enhancement of the Young's modulus by up to 200%. This study suggests that both electrical and elastic properties of the InAs nanowires can be tuned by changing the defect density.

Three loop anomalous dimensions of higher moments of the non-singlet twist-2 Wilson and transversity operators in the M-bar S-bar and RI' schemes

International Nuclear Information System (INIS)

Gracey, John A.

2006-01-01

We compute the anomalous dimension of the third and fourth moments of the flavour non-singlet twist-2 Wilson and transversity operators at three loops in both the M-bar S-bar and RI' schemes. To assist with the extraction of estimates of matrix elements computed using lattice regularization, the finite parts of the Green's function where the operator is inserted in a quark 2-point function are also provided at three loops in both schemes

Pressure dependence of the Raman spectrum, lattice parameters and superconducting critical temperature of MgB2: evidence for pressure-driven phonon-assisted electronic topological transition

International Nuclear Information System (INIS)

Goncharov, A.F.; Struzhkin, V.V.

2003-01-01

We overview recent high-pressure studies of high-temperature superconductor MgB 2 by Raman scattering technique combined with measurements of superconducting critical temperature T c and lattice parameters up to 57 GPa. An anomalously broadened Raman band at 620 cm -1 is observed and assigned to the in-plane boron stretching E 2g mode. It exhibits a large Grueneisen parameter indicating that the vibration is highly anharmonic. The pressure dependencies of the E 2g mode and T c reveal anomalies at 15-22 GPa (isotope dependent). The anharmonic character of the E 2g phonon mode, its anomalous pressure dependence, and also that for T c are interpreted as a result of a phonon-assisted Lifshitz electronic topological transition

Calculated temperature dependence of elastic constants and phonon dispersion of hcp and bcc beryllium

Science.gov (United States)

Hahn, Steven; Arapan, Sergiu; Harmon, Bruce; Eriksson, Olle

2011-03-01

Conventional first principle methods for calculating lattice dynamics are unable to calculate high temperature thermophysical properties of materials containing modes that are entropically stabilized. In this presentation we use a relatively new approach called self-consistent ab initio lattice dynamics (SCAILD) to study the hcp to bcc transition (1530 K) in beryllium. The SCAILD method goes beyond the harmonic approximation to include phonon-phonon interactions and produces a temperature-dependent phonon dispersion. In the high temperature bcc structure, phonon-phonon interactions dynamically stabilize the N-point phonon. Fits to the calculated phonon dispersion were used to determine the temperature dependence of the elastic constants in the hcp and bcc phases. Work at the Ames Laboratory was supported by the Department of Energy-Basic Energy Sciences under Contract No. DE-AC02-07CH11358.

A work-hardening rule for finite elastic-plastic deformation of metals at elevated temperatures

International Nuclear Information System (INIS)

Lee, L.H.N.; Horng, J.T.

1975-01-01

The paper is concerned with an extension of Prager-Ziegler's kinematic work-hardening rule for infinitesimal elastic-plastic deformation to a work-hardening rule for finite elastic-plastic deformation of a polycrystalline metal. It is shown that the finite work-hardening rule, which accounts for the Bauschinger and temperature effects within certain pressure and temperature ranges, satisfies certain invariant, continuity and thermodynamic requirements. A description of the kinematics of an elastic-plastic body is employed with reference to three separate configurations: initial, current and an intermediate configuration. The intermediate configuration is a conceptual, local configuration obtained by removing the stress and temperature changes in the neighborhood of an element. A rigid body rotation of the intermediate configuration is allowed. Piola-Kirchhoff stresses and Green deformation tensors referred to the initial and intermediate configurations are employed as stress and strain measures. The plastic deformation has been associated with the motion and production of dislocations. It has been observed that the motion of mobile dislocations usually occur in the narrow slip bands in each grain, leaving the basic lattice structure practically intact, so that the macroscopic elastic properties of the material are essentially independent of plastic deformation. Employing this fact and the thermodynamic laws, a simplified elastic stress-strain relationship of the plastically deformed material, which agrees with the results of Naghdi and Trapp, is obtained

Anomalous magnetoresistance in amorphous metals

International Nuclear Information System (INIS)

Kuz'menko, V.M.; Vladychkin, A.N.; Mel'nikov, V.I.; Sudovtsev, A.I.

1984-01-01

The magnetoresistance of amorphous Bi, Ca, V and Yb films is investigated in fields up to 4 T at low temperatures. For all metals the magnetoresistance is positive, sharply decreases with growth of temperature and depends anomalously on the magnetic field strength. For amorphous superconductors the results agree satisfactorily with the theory of anomalous magnetoresistance in which allowance is made for scattering of electrons by the superconducting fluctuations

Quantum degenerate atomic gases in controlled optical lattice potentials

Science.gov (United States)

Gemelke, Nathan D.

2007-12-01

Since the achievement of Bose Einstein condensation in cold atomic gases, mean-field treatments of the condensed phase have provided an excellent description for the static and dynamic properties observed in experiments. Recent experimental efforts have focused on studying deviations from mean-field behavior. I will describe work on two experiments which introduce controlled single particle degeneracies with time-dependent optical potentials, aiming to induce correlated motion and nontrivial statistics in the gas. In the first experiment, an optical lattice with locally rotating site potentials is produced to investigate fractional quantum Hall effects (FQHE) in rotating Bose gases. Here, the necessary gauge potential is provided by the rotating reference frame of the gas, which, in direct analogy to the electronic system, organizes single particle states into degenerate Landau levels. At low temperatures the repulsive interaction provided by elastic scattering is expected to produce ground states with structure nearly identical to those in the FQHE. I will discuss how these effects are made experimentally feasible by working at small particle numbers in the tight trapping potentials of an optical lattice, and present first results on the use of photoassociation to probe correlation in this system. In the second experiment, a vibrated optical lattice potential alters the single-particle dispersion underlying a condensed Bose gas and offers tailored phase-matching for nonlinear atom optical processes. I will demonstrate how this leads to parametric instability in the condensed gas, and draw analogy to an optical parametric oscillator operating above threshold.

Hadronic correlation functions with quark-disconnected contributions in lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Guelpers, Vera Magdalena

2015-09-14

One of the fundamental interactions in the Standard Model of particle physics is the strong force, which can be formulated as a non-abelian gauge theory called Quantum Chromodynamics (QCD). In the low-energy regime, where the QCD coupling becomes strong and quarks and gluons are confined to hadrons, a perturbative expansion in the coupling constant is not possible. However, the introduction of a four-dimensional Euclidean space-time lattice allows for an ab initio treatment of QCD and provides a powerful tool to study the low-energy dynamics of hadrons. Some hadronic matrix elements of interest receive contributions from diagrams including quark-disconnected loops, i.e. disconnected quark lines from one lattice point back to the same point. The calculation of such quark loops is computationally very demanding, because it requires knowledge of the all-to-all propagator. In this thesis we use stochastic sources and a hopping parameter expansion to estimate such propagators. We apply this technique to study two problems which relay crucially on the calculation of quark-disconnected diagrams, namely the scalar form factor of the pion and the hadronic vacuum polarization contribution to the anomalous magnet moment of the muon. The scalar form factor of the pion describes the coupling of a charged pion to a scalar particle. We calculate the connected and the disconnected contribution to the scalar form factor for three different momentum transfers. The scalar radius of the pion is extracted from the momentum dependence of the form factor. The use of several different pion masses and lattice spacings allows for an extrapolation to the physical point. The chiral extrapolation is done using chiral perturbation theory (χPT). We find that our pion mass dependence of the scalar radius is consistent with χPT at next-to-leading order. Additionally, we are able to extract the low energy constant anti l{sub 4} from the extrapolation, and our result is in agreement with results

Hadronic correlation functions with quark-disconnected contributions in lattice QCD

International Nuclear Information System (INIS)

Guelpers, Vera Magdalena

2015-01-01

One of the fundamental interactions in the Standard Model of particle physics is the strong force, which can be formulated as a non-abelian gauge theory called Quantum Chromodynamics (QCD). In the low-energy regime, where the QCD coupling becomes strong and quarks and gluons are confined to hadrons, a perturbative expansion in the coupling constant is not possible. However, the introduction of a four-dimensional Euclidean space-time lattice allows for an ab initio treatment of QCD and provides a powerful tool to study the low-energy dynamics of hadrons. Some hadronic matrix elements of interest receive contributions from diagrams including quark-disconnected loops, i.e. disconnected quark lines from one lattice point back to the same point. The calculation of such quark loops is computationally very demanding, because it requires knowledge of the all-to-all propagator. In this thesis we use stochastic sources and a hopping parameter expansion to estimate such propagators. We apply this technique to study two problems which relay crucially on the calculation of quark-disconnected diagrams, namely the scalar form factor of the pion and the hadronic vacuum polarization contribution to the anomalous magnet moment of the muon. The scalar form factor of the pion describes the coupling of a charged pion to a scalar particle. We calculate the connected and the disconnected contribution to the scalar form factor for three different momentum transfers. The scalar radius of the pion is extracted from the momentum dependence of the form factor. The use of several different pion masses and lattice spacings allows for an extrapolation to the physical point. The chiral extrapolation is done using chiral perturbation theory (χPT). We find that our pion mass dependence of the scalar radius is consistent with χPT at next-to-leading order. Additionally, we are able to extract the low energy constant anti l 4 from the extrapolation, and our result is in agreement with results from

Generalized isothermic lattices

International Nuclear Information System (INIS)

Doliwa, Adam

2007-01-01

We study multi-dimensional quadrilateral lattices satisfying simultaneously two integrable constraints: a quadratic constraint and the projective Moutard constraint. When the lattice is two dimensional and the quadric under consideration is the Moebius sphere one obtains, after the stereographic projection, the discrete isothermic surfaces defined by Bobenko and Pinkall by an algebraic constraint imposed on the (complex) cross-ratio of the circular lattice. We derive the analogous condition for our generalized isothermic lattices using Steiner's projective structure of conics, and we present basic geometric constructions which encode integrability of the lattice. In particular, we introduce the Darboux transformation of the generalized isothermic lattice and we derive the corresponding Bianchi permutability principle. Finally, we study two-dimensional generalized isothermic lattices, in particular geometry of their initial boundary value problem

Elimination of spurious lattice fermion solutions and noncompact lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Lee, T.D.

1997-09-22

It is well known that the Dirac equation on a discrete hyper-cubic lattice in D dimension has 2{sup D} degenerate solutions. The usual method of removing these spurious solutions encounters difficulties with chiral symmetry when the lattice spacing l {ne} 0, as exemplified by the persistent problem of the pion mass. On the other hand, we recall that in any crystal in nature, all the electrons do move in a lattice and satisfy the Dirac equation; yet there is not a single physical result that has ever been entangled with a spurious fermion solution. Therefore it should not be difficult to eliminate these unphysical elements. On a discrete lattice, particle hop from point to point, whereas in a real crystal the lattice structure in embedded in a continuum and electrons move continuously from lattice cell to lattice cell. In a discrete system, the lattice functions are defined only on individual points (or links as in the case of gauge fields). However, in a crystal the electron state vector is represented by the Bloch wave functions which are continuous functions in {rvec {gamma}}, and herein lies one of the essential differences.

Logarithmic Superdiffusion in Two Dimensional Driven Lattice Gases

Science.gov (United States)

Krug, J.; Neiss, R. A.; Schadschneider, A.; Schmidt, J.

2018-03-01

The spreading of density fluctuations in two-dimensional driven diffusive systems is marginally anomalous. Mode coupling theory predicts that the diffusivity in the direction of the drive diverges with time as (ln t)^{2/3} with a prefactor depending on the macroscopic current-density relation and the diffusion tensor of the fluctuating hydrodynamic field equation. Here we present the first numerical verification of this behavior for a particular version of the two-dimensional asymmetric exclusion process. Particles jump strictly asymmetrically along one of the lattice directions and symmetrically along the other, and an anisotropy parameter p governs the ratio between the two rates. Using a novel massively parallel coupling algorithm that strongly reduces the fluctuations in the numerical estimate of the two-point correlation function, we are able to accurately determine the exponent of the logarithmic correction. In addition, the variation of the prefactor with p provides a stringent test of mode coupling theory.

Structural, Electronic and Elastic Properties of Heavy Fermion YbTM2 (TM= Ir and Pt) Laves Phase Compounds

Science.gov (United States)

Pawar, H.; Shugani, M.; Aynyas, M.; Sanyal, S. P.

2018-02-01

The structural, electronic and elastic properties of YbTM2 (TM = Ir and Pt) Laves phase intermetallic compounds which crystallize in cubic (MgCu2-type) structure, have been investigated using ab-initio full potential linearized augmented plane wave (FP-LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B‧) are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for these compounds which obey the stability criteria for cubic system.

Lattice fermions

Energy Technology Data Exchange (ETDEWEB)

Randjbar-Daemi, S

1995-12-01

The so-called doubling problem in the lattice description of fermions led to a proof that under certain circumstances chiral gauge theories cannot be defined on the lattice. This is called the no-go theorem. It implies that if {Gamma}/sub/A is defined on a lattice then its infrared limit, which should correspond to the quantum description of the classical action for the slowly varying fields on lattice scale, is inevitably a vector like theory. In particular, if not circumvented, the no-go theorem implies that there is no lattice formulation of the Standard Weinberg-Salam theory or SU(5) GUT, even though the fermions belong to anomaly-free representations of the gauge group. This talk aims to explain one possible attempt at bypassing the no-go theorem. 20 refs.

Lattice fermions

International Nuclear Information System (INIS)

Randjbar-Daemi, S.

1995-12-01

The so-called doubling problem in the lattice description of fermions led to a proof that under certain circumstances chiral gauge theories cannot be defined on the lattice. This is called the no-go theorem. It implies that if Γ/sub/A is defined on a lattice then its infrared limit, which should correspond to the quantum description of the classical action for the slowly varying fields on lattice scale, is inevitably a vector like theory. In particular, if not circumvented, the no-go theorem implies that there is no lattice formulation of the Standard Weinberg-Salam theory or SU(5) GUT, even though the fermions belong to anomaly-free representations of the gauge group. This talk aims to explain one possible attempt at bypassing the no-go theorem. 20 refs

Electrical resistivity response due to elastic-plastic deformations

International Nuclear Information System (INIS)

Stout, R.B.

1987-01-01

The electrical resistivity of many materials is sensitive to changes in the electronic band configurations surrounding the atoms, changes in the electron-phonon interaction cross-sections, and changes in the density of intrinsic defect structures. These changes are most directly dependent on interatomic measures of relative deformation. For this reason, a model for resistivity response is developed in terms of interatomic measures of relative deformation. The relative deformation consists of two terms, a continuous function to describe the recoverable displacement between two atoms in the atomic lattice structure and a functional to describe the nonrecoverable displacement between two atoms as a result of interatomic discontinuities from dislocation kinetics. This model for resistivity extends the classical piezoresistance representation and relates electric resistance change directly to physical mechanisms. An analysis for the resistivity change of a thin foil ideally embedded in a material that undergoes elastic-plastic deformation is presented. For the case of elastic deformations, stress information in the material surrounding the thin foil is inferred for the cases of pure strain coupling boundary conditions, pure stress coupling boundary conditions, and a combination of stress-strain coupling boundary conditions. 42 refs., 4 figs

Phase Stability and Elasticity of TiAlN

Directory of Open Access Journals (Sweden)

Magnus Odén

2011-09-01

Full Text Available We review results of recent combined theoretical and experimental studies of Ti1−xAlxN, an archetypical alloy system material for hard-coating applications. Theoretical simulations of lattice parameters, mixing enthalpies, and elastic properties are presented. Calculated phase diagrams at ambient pressure, as well as at pressure of 10 GPa, show a wide miscibility gap and broad region of compositions and temperatures where the spinodal decomposition takes place. The strong dependence of the elastic properties and sound wave anisotropy on the Al-content offers detailed understanding of the spinodal decomposition and age hardening in Ti1−xAlxN alloy films and multilayers. TiAlN/TiN multilayers can further improve the hardness and thermal stability compared to TiAlN since they offer means to influence the kinetics of the favorable spinodal decomposition and suppress the detrimental transformation to w-AlN. Here, we show that a 100 degree improvement in terms of w-AlN suppression can be achieved, which is of importance when the coating is used as a protective coating on metal cutting inserts.

Elastic properties of fcc Fe-Mn-X (X = Cr, Co, Ni, Cu) alloys studied by the combinatorial thin film approach and ab initio calculations.

Science.gov (United States)

Reeh, S; Kasprzak, M; Klusmann, C D; Stalf, F; Music, D; Ekholm, M; Abrikosov, I A; Schneider, J M

2013-06-19

The elastic properties of fcc Fe-Mn-X (X = Cr, Co, Ni, Cu) alloys with additions of up to 8 at.% X were studied by combinatorial thin film growth and characterization and by ab initio calculations using the disordered local moments (DLM) approach. The lattice parameter and Young's modulus values change only marginally with X. The calculations and experiments are in good agreement. We demonstrate that the elastic properties of transition metal alloyed Fe-Mn can be predicted by the DLM model.

Rietveld structure refinement and elastic properties of MgAlxCrxFe2-2xO4 spinel ferrites

Science.gov (United States)

Thummer, K. P.; Tanna, Ashish R.; Joshi, Hiren H.

2017-05-01

MgAlxCrxFe2-2xO4 (x = 0.1, 03 & 0.6) ferrites are synthesized by solid state reaction method. The Rietveld refinement of X-ray diffraction (XRD) data confirms the cubic spinel structure with Fd3m space group. The Fourier Transform Infrared Transmission Spectroscopy (FTIR) is employed to study elastic properties of present systems at 300K. The force constants for tetrahedral (A) and octahedral (B) sites of the spinel lattice are determined by infrared spectral and X-ray diffraction analysis. The elastic constants like bulk modulus, rigidity modulus, Young's modulus, Poisson's ratio and Debye temperature are determined. The vibrational frequency of both the interstitial sites increases as Al-Cr content increases hence the force constant and elastic moduli for all the samples are found to increase for the present ferrite system.

On the mechanism of bandgap formation in locally resonant finite elastic metamaterials

Science.gov (United States)

Sugino, Christopher; Leadenham, Stephen; Ruzzene, Massimo; Erturk, Alper

2016-10-01

Elastic/acoustic metamaterials made from locally resonant arrays can exhibit bandgaps at wavelengths much longer than the lattice size for various applications spanning from low-frequency vibration/sound attenuation to wave guiding and filtering in mechanical and electromechanical devices. For an effective use of such locally resonant metamaterial concepts in finite structures, it is required to bridge the gap between the lattice dispersion characteristics and modal behavior of the host structure with its resonators. To this end, we develop a novel argument for bandgap formation in finite-length elastic metamaterial beams, relying on the modal analysis and the assumption of infinitely many resonators. We show that the dual problem to wave propagation through an infinite periodic beam is the modal analysis of a finite beam with an infinite number of resonators. A simple formula that depends only on the resonator natural frequency and total mass ratio is derived for placing the bandgap in a desired frequency range, yielding an analytical insight and a rule of thumb for design purposes. A method for understanding the importance of a resonator location and mass is discussed in the context of a Riemann sum approximation of an integral, and a method for determining the optimal number of resonators for a given set of boundary conditions and target frequency is introduced. The simulations of the theoretical framework are validated by experiments for bending vibrations of a locally resonant cantilever beam.

Obtaining local reciprocal lattice vectors from finite-element analysis.

Science.gov (United States)

Sutter, John P; Connolley, Thomas; Hill, Tim P; Huang, Houcheng; Sharp, Doug W; Drakopoulos, Michael

2008-11-01

Finite-element analysis is frequently used by engineers at synchrotron beamlines to calculate the elastic deformation of a single crystal undergoing mechanical bending or thermal load. ANSYS Workbench software is widely used for such simulations. However, although ANSYS Workbench software provides useful information on the displacements, strains and stresses within the crystal, it does not yield the local reciprocal lattice vectors that would be required for X-ray diffraction calculations. To bridge this gap, a method based on the shape functions and interpolation procedures of the software itself has been developed. An application to the double-crystal bent Laue monochromator being designed for the I12 (JEEP) wiggler beamline at the Diamond Light Source is presented.

In Situ Investigation of the Evolution of Lattice Strain and Stresses in Austenite and Martensite During Quenching and Tempering of Steel

DEFF Research Database (Denmark)

Villa, M.; Niessen, F.; Somers, M. A. J.

2018-01-01

Energy dispersive synchrotron X-ray diffraction was applied to investigate in situ the evolution of lattice strains and stresses in austenite and martensite during quenching and tempering of a soft martensitic stainless steel. In one experiment, lattice strains in austenite and martensite were...... measured in situ in the direction perpendicular to the sample surface during an austenitization, quenching, and tempering cycle. In a second experiment, the sin2ψ method was applied in situ during the austenite-to-martensite transformation to distinguish between macro- and phase-specific micro......-stresses and to follow the evolution of these stresses during transformation. Martensite formation evokes compressive stress in austenite that is balanced by tensile stress in martensite. Tempering to 748 K (475 °C) leads to partial relaxation of these stresses. Additionally, data reveal that (elastic) lattice strain...

Structural, electronic and elastic properties of RERu{sub 2} (RE=Pr and Nd) Laves phase intermetallic compounds

Energy Technology Data Exchange (ETDEWEB)

Shrivastava, Deepika, E-mail: deepika89shrivastava@gmail.com; Sanyal, Sankar P. [Department of Physics, Barkatullah university, Bhopal, 462026 (India)

2016-05-06

We have performed the first-principles calculations to study the structural, electronic and elastic properties of RERu{sub 2} (RE = Pr and Nd) Laves phase intermetallic compounds using full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT) within the generalized gradient approximation (GGA) for exchange and correlation potential. The optimized lattices constant are in reasonable agreement with available experimental data. The electronic properties are analyzed in terms of band structures, total and partial density of states, which confirm their metallic character. The calculated elastic constants infer that these compounds are mechanically stable in C15 (MgCu{sub 2} type) structure and found to be ductile in nature.

Anomalous transparency in photonic crystals and its application to point-by-point grating inscription in photonic crystal fibers.

Science.gov (United States)

Baghdasaryan, Tigran; Geernaert, Thomas; Chah, Karima; Caucheteur, Christophe; Schuster, Kay; Kobelke, Jens; Thienpont, Hugo; Berghmans, Francis

2018-04-03

It is common belief that photonic crystals behave similarly to isotropic and transparent media only when their feature sizes are much smaller than the wavelength of light. Here, we counter that belief and we report on photonic crystals that are transparent for anomalously high normalized frequencies up to 0.9, where the crystal's feature sizes are comparable with the free space wavelength. Using traditional photonic band theory, we demonstrate that the isofrequency curves can be circular in the region above the first stop band for triangular lattice photonic crystals. In addition, by simulating how efficiently a tightly focused Gaussian beam propagates through the photonic crystal slab, we judge on the photonic crystal's transparency rather than on isotropy only. Using this approach, we identified a wide range of photonic crystal parameters that provide anomalous transparency. Our findings indicate the possibility to scale up the features of photonic crystals and to extend their operational wavelength range for applications including optical cloaking and graded index guiding. We applied our result in the domain of femtosecond laser micromachining, by demonstrating what we believe to be the first point-by-point grating inscribed in a multi-ring photonic crystal fiber.

Anomalous magneto-structural behavior of MnBi explained: A path towards an improved permanent magnet

Energy Technology Data Exchange (ETDEWEB)

Zarkevich, N. A., E-mail: zarkev@ameslab.gov; Wang, L.-L. [The Ames Laboratory, U.S. Department of Energy, Ames, Iowa 50011 (United States); Johnson, D. D. [The Ames Laboratory, U.S. Department of Energy, Ames, Iowa 50011 (United States); Materials Science and Engineering, Iowa State University, Ames, Iowa 50011 (United States)

2014-03-01

Low-temperature MnBi (hexagonal NiAs phase) exhibits anomalies in the lattice constants (a, c) and bulk elastic modulus (B) below 100 K, spin reorientation and magnetic susceptibility maximum near 90 K, and, importantly for high-temperature magnetic applications, an increasing coercivity (unique to MnBi) above 180  K. We calculate the total energy and magneto-anisotropy energy (MAE) versus (a, c) using DFT+U methods. We reproduce and explain all the above anomalies. We predict that coercivity and MAE increase due to increasing a, suggesting means to improve MnBi permanent magnets.

Anomalous magneto-structural behavior of MnBi explained: A path towards an improved permanent magnet

Energy Technology Data Exchange (ETDEWEB)

Zarkevich, NA; Wang, LL; Johnson, DD

2014-03-01

Low-temperature MnBi (hexagonal NiAs phase) exhibits anomalies in the lattice constants (a, c) and bulk elastic modulus (B) below 100 K, spin reorientation and magnetic susceptibility maximum near 90 K, and, importantly for high-temperature magnetic applications, an increasing coercivity (unique to MnBi) above 180 K. We calculate the total energy and magneto-anisotropy energy (MAE) versus (a, c) using DFT+U methods. We reproduce and explain all the above anomalies. We predict that coercivity and MAE increase due to increasing a, suggesting means to improve MnBi permanent magnets. (C) 2014 Author(s).

Lattice QCD Calculation of Nucleon Structure

Energy Technology Data Exchange (ETDEWEB)

Liu, Keh-Fei [University of Kentucky, Lexington, KY (United States). Dept. of Physics and Astronomy; Draper, Terrence [University of Kentucky, Lexington, KY (United States). Dept. of Physics and Astronomy

2016-08-30

decomposition and the strange quark spin from the anomalous Ward identity. Recently, we have started to include multiple lattices with different lattice spacings and different volumes including large lattices at the physical pion mass point. We are getting quite close to being able to calculate the hadron structure at the physical point and to do the continuum and large volume extrapolations, which is our ultimate aim. We have now finished several projects which have included these systematic corrections. They include the leptonic decay width of the ρ, the πN sigma and strange sigma terms, and the strange quark magnetic moment. Over the years, we have also studied hadron spectroscopy with lattice calculations and in phenomenology. These include Roper resonance, pentaquark state, charmonium spectrum, glueballs, scalar mesons a₀(1450) and σ(600) and other scalar mesons, and the 1^-+ meson. In addition, we have employed the canonical approach to explore the first-order phase transition and the critical point at finite density and finite temperature. We have also discovered a new parton degree of freedom -- the connected sea partons, from the path-integral formulation of the hadronic tensor, which explains the experimentally observed Gottfried sum rule violation. Combining experimental result on the strange parton distribution, the CT10 global fitting results of the total u and d anti-partons and the lattice result of the ratio of the momentum fraction of the strange vs that of u or d in the disconnected insertion, we have shown that the connected sea partons can be isolated. In this final technical report, we shall present a few representative highlights that have been achieved in the project.

Lattice gauge theory

International Nuclear Information System (INIS)

Mack, G.

1982-01-01

After a description of a pure Yang-Mills theory on a lattice, the author considers a three-dimensional pure U(1) lattice gauge theory. Thereafter he discusses the exact relation between lattice gauge theories with the gauge groups SU(2) and SO(3). Finally he presents Monte Carlo data on phase transitions in SU(2) and SO(3) lattice gauge models. (HSI)

Neoclassical and anomalous transport in axisymmetric toroidal plasmas with electrostatic turbulence

International Nuclear Information System (INIS)

Sugama, H.; Horton, W.

1995-01-01

Neoclassical and anomalous transport fluxes are determined for axisymmetric toroidal plasmas with weak electrostatic fluctuations. The neoclassical and anomalous fluxes are defined based on the ensemble-averaged kinetic equation with the statistically averaged nonlinear term. The anomalous forces derived from that quasilinear term induce the anomalous particle and heat fluxes. The neoclassical banana-plateau particle and heat fluxes and the bootstrap current are also affected by the fluctuations through the parallel anomalous forces and the modified parallel viscosities. The quasilinear term, the anomalous forces, and the anomalous particle and heat fluxes are evaluated from the fluctuating part of the drift kinetic equation. The averaged drift kinetic equation with the quasilinear term is solved for the plateau regime to derive the parallel viscosities modified by the fluctuations. The entropy production rate due to the anomalous transport processes is formulated and used to identify conjugate pairs of the anomalous fluxes and forces, which are connected by the matrix with the Onsager symmetry. copyright 1995 American Institute of Physics

Neoclassical and anomalous transport in axisymmetric toroidal plasmas with electrostatic turbulence

International Nuclear Information System (INIS)

Sugama, H.; Horton, W.

1995-05-01

Neoclassical and anomalous transport fluxes are determined for axisymmetric toroidal plasmas with weak electrostatic fluctuations. The neoclassical and anomalous fluxes are defined based on the ensemble-averaged kinetic equation with the statistically averaged nonlinear term. The anomalous forces derived from that quasilinear term induce the anomalous particle and heat fluxes. The neoclassical banana-plateau particle and heat fluxes and the bootstrap current are also affected by the fluctuations through the parallel anomalous forces and the modified parallel viscosities. The quasilinear term, the anomalous forces, and the anomalous particle and heat fluxes are evaluated from the fluctuating part of the drift kinetic equation. The averaged drift kinetic equation with the quasilinear term is solved for the plateau regime to derive the parallel viscosities modified by the fluctuations. The entropy production rate due to the anomalous transport processes is formulated and used to identify conjugate pairs of the anomalous fluxes and forces, which are connected by the matrix with the Onsager symmetry. (author)

Symmetrized local co-registration optimization for anomalous change detection

Energy Technology Data Exchange (ETDEWEB)

Wohlberg, Brendt E [Los Alamos National Laboratory; Theiler, James P [Los Alamos National Laboratory

2009-01-01

The goal of anomalous change detection (ACD) is to identify what unusual changes have occurred in a scene, based on two images of the scene taken at different times and under different conditions. The actual anomalous changes need to be distinguished from the incidental differences that occur throughout the imagery, and one of the most common and confounding of these incidental differences is due to the misregistration of the images, due to limitations of the registration pre-processing applied to the image pair. We propose a general method to compensate for residual misregistration in any ACD algorithm which constructs an estimate of the degree of 'anomalousness' for every pixel in the image pair. The method computes a modified misregistration-insensitive anomalousness by making local re-registration adjustments to minimize the local anomalousness. In this paper we describe a symmetrized version of our initial algorithm, and find significant performance improvements in the anomalous change detection ROC curves for a number of real and synthetic data sets.

Transport of an interacting Bose gas in 1D disordered lattices

Energy Technology Data Exchange (ETDEWEB)

D' Errico, C.; Chaudhuri, S.; Gori, L.; Kumar, A.; Lucioni, E.; Tanzi, L.; Inguscio, M.; Modugno, G. [LENS and Dipartimento di Fisica e Astronomia, Università di Firenze, and CNR-INO, 50019 Sesto Fiorentino (Italy)

2014-08-20

We use ultracold atoms in a quasiperiodic lattice to study two outstanding problems in the physics of disordered systems: a) the anomalous diffusion of a wavepacket in the presence of disorder, interactions and noise; b) the transport of a disordered superfluid. a) Our results show that the subdiffusion, observed when interaction alone is present, can be modelled with a nonlinear diffusion equation and the peculiar shape of the expanding density profiles can be connected to the microscopic nonlinear diffusion coefficients. Also when noise alone is present we can describe the observed normal diffusion dynamics by existing microscopic models. In the unexplored regime in which noise and interaction are combined, instead, we observe an anomalous diffusion, that we model with a generalized diffusion equation, where noise- and interaction-induced contributions add each other. b) We find that an instability appearing at relatively large momenta can be employed to locate the fluid-insulator crossover driven by disorder. By investigating the momentum-dependent transport, we observe a sharp crossover from a weakly dissipative regime to a strongly unstable one at a disorder-dependent critical momentum. The set of critical disorder and interaction strengths for which such critical momentum vanishes, can be identified with the separation between a fluid regime and an insulating one and can be related to the predicted zero-temperature superfluid-Bose glass transition.

Transport of an interacting Bose gas in 1D disordered lattices

International Nuclear Information System (INIS)

D'Errico, C.; Chaudhuri, S.; Gori, L.; Kumar, A.; Lucioni, E.; Tanzi, L.; Inguscio, M.; Modugno, G.

2014-01-01

We use ultracold atoms in a quasiperiodic lattice to study two outstanding problems in the physics of disordered systems: a) the anomalous diffusion of a wavepacket in the presence of disorder, interactions and noise; b) the transport of a disordered superfluid. a) Our results show that the subdiffusion, observed when interaction alone is present, can be modelled with a nonlinear diffusion equation and the peculiar shape of the expanding density profiles can be connected to the microscopic nonlinear diffusion coefficients. Also when noise alone is present we can describe the observed normal diffusion dynamics by existing microscopic models. In the unexplored regime in which noise and interaction are combined, instead, we observe an anomalous diffusion, that we model with a generalized diffusion equation, where noise- and interaction-induced contributions add each other. b) We find that an instability appearing at relatively large momenta can be employed to locate the fluid-insulator crossover driven by disorder. By investigating the momentum-dependent transport, we observe a sharp crossover from a weakly dissipative regime to a strongly unstable one at a disorder-dependent critical momentum. The set of critical disorder and interaction strengths for which such critical momentum vanishes, can be identified with the separation between a fluid regime and an insulating one and can be related to the predicted zero-temperature superfluid-Bose glass transition

Elastic properties of fcc Fe–Mn–X (X = Cr, Co, Ni, Cu) alloys studied by the combinatorial thin film approach and ab initio calculations

International Nuclear Information System (INIS)

Reeh, S; Kasprzak, M; Klusmann, C D; Stalf, F; Music, D; Schneider, J M; Ekholm, M; Abrikosov, I A

2013-01-01

The elastic properties of fcc Fe–Mn–X (X = Cr, Co, Ni, Cu) alloys with additions of up to 8 at.% X were studied by combinatorial thin film growth and characterization and by ab initio calculations using the disordered local moments (DLM) approach. The lattice parameter and Young’s modulus values change only marginally with X. The calculations and experiments are in good agreement. We demonstrate that the elastic properties of transition metal alloyed Fe–Mn can be predicted by the DLM model. (paper)

Elasticity and inelasticity of silicon nitride/boron nitride fibrous monoliths.

Energy Technology Data Exchange (ETDEWEB)

Smirnov, B. I.; Burenkov, Yu. A.; Kardashev, B. K.; Singh, D.; Goretta, K. C.; de Arellano-Lopez, A. R.; Energy Technology; Russian Academy of Sciences; Univer. de Sevilla

2001-01-01

A study is reported on the effect of temperature and elastic vibration amplitude on Young's modulus E and internal friction in Si{sub 3}N{sub 4} and BN ceramic samples and Si{sub 3}N{sub 4}/BN monoliths obtained by hot pressing of BN-coated Si{sub 3}N{sub 4} fibers. The fibers were arranged along, across, or both along and across the specimen axis. The E measurements were carried out under thermal cycling within the 20-600 C range. It was found that high-modulus silicon-nitride specimens possess a high thermal stability; the E(T) dependences obtained under heating and cooling coincide well with one another. The low-modulus BN ceramic exhibits a considerable hysteresis, thus indicating evolution of the defect structure under the action of thermoelastic (internal) stresses. Monoliths demonstrate a qualitatively similar behavior (with hysteresis). This behavior of the elastic modulus is possible under microplastic deformation initiated by internal stresses. The presence of microplastic shear in all the materials studied is supported by the character of the amplitude dependences of internal friction and the Young's modulus. The experimental data obtained are discussed in terms of a model in which the temperature dependences of the elastic modulus and their features are accounted for by both microplastic deformation and nonlinear lattice-atom vibrations, which depend on internal stresses.

Metallic transport and large anomalous Hall effect at room temperature in ferrimagnetic Mn4N epitaxial thin film

International Nuclear Information System (INIS)

Shen, Xi; Shigematsu, Kei; Chikamatsu, Akira; Fukumura, Tomoteru; Hirose, Yasushi; Hasegawa, Tetsuya

2014-01-01

We report the electrical transport properties of ferrimagnetic Mn 4 N (001) epitaxial thin films grown by pulsed laser deposition on MgO (001) substrates. The Mn 4 N thin films were tetragonally distorted with a ratio of out-of-plane to in-plane lattice constants of 0.987 and showed perpendicular magnetic anisotropy with an effective magnetic anisotropy constant of 0.16 MJ/m 3 , which is comparable with that of a recently reported molecular-beam-epitaxy-grown film. The thin films exhibited metallic transport with a room temperature resistivity of 125 μΩ cm in addition to a large anomalous Hall effect with a Hall angle tangent of 0.023.

Stress distribution and lattice distortions in Nb3Sn multifilament wires under uniaxial tensile loading at 4.2 K

International Nuclear Information System (INIS)

Scheuerlein, C; Flükiger, R; Kadar, J; Bordini, B; Ballarino, A; Bottura, L; Di Michiel, M; Buta, F; Seeber, B; Senatore, C; Siegrist, T; Besara, T

2014-01-01

The lattice parameter changes in three types of Nb 3 Sn superconducting wires during uniaxial stress–strain measurements at 4.2 K have been measured by high-energy synchrotron x-ray diffraction. The nearly-stress-free Nb 3 Sn lattice parameter has been determined using extracted filaments, and the elastic strain in the axial and transverse wire directions in the different wire phases has been calculated. The mechanical properties of the PIT and RRP wire are mainly determined by the properties of Nb 3 Sn and unreacted Nb. This is in contrast to the bronze route wire, where the matrix can carry substantial loads. In straight wires the axial Nb 3 Sn pre-strain is strongest in the bronze route wire, its value being smaller in the PIT and RRP wires. A strong reduction of the non-Cu elastic modulus of about 30% is observed during cool-down from ambient temperature to 4.2 K. The Nb 3 Sn Poisson ratio at 4.2 K measured in the untwisted bronze route wire is 0.35. The present study also shows that the process route has a strong influence on the Nb 3 Sn texture. (paper)

Anomalous radial and angular strain relaxation around dilute p-, isoelectronic-, and n-type dopants in Si crystal

Energy Technology Data Exchange (ETDEWEB)

Zhao, Mingshu [School of Physical Sciences, University of Science and Technology of China, Hefei, Anhui Province 230026 (China); Dong, Juncai, E-mail: dongjc@ihep.ac.cn [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Chen, Dongliang [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China)

2017-02-01

Doping is widely applied in yielding desirable properties and functions in silicon technology; thus, fully understanding the relaxation mechanism for lattice-mismatch strain is of fundamental importance. Here we systematically study the local lattice distortion near dilute IIIA-, IVA-, and VA-group substitutional dopants in Si crystal using density functional theory, and anomalous radial and angular strain relaxation modes are first revealed. Both the nearest-neighbor (NN) bond-distances and the tetrahedral bond-angles are found to exhibit completely opposite dependence on the electronic configurations for the low Z (Z<26) and high Z (Z>26) dopants. More surprisingly, negative and positive angular shifts for the second NN twelve Si2 atoms are unveiled surrounding the p- and n-type dopants, respectively. While electron localization function shows that the doped hole and electron are highly localized near the dopants, hence being responsible for the abnormal angular shifts, a universal radial strain relaxation mechanism dominated by a competition of the Coulomb interactions among the ion-core, bond-charge, and the localized hole or electron is also proposed. These findings may prove to be instrumental in precise design of silicon-based solotronics.

Anomalous group velocity at the high energy range of real 3D photonic nanostructures

Science.gov (United States)

Botey, Muriel; Martorell, Jordi; Lozano, Gabriel; Míguez, Hernán; Dorado, Luis A.; Depine, Ricardo A.

2010-05-01

We perform a theoretical study on the group velocity for finite thin artificial opal slabs made of a reduced number of layers in the spectral range where the light wavelength is on the order of the lattice parameter. The vector KKR method including extinction allows us to evaluate the finite-size effects on light propagation in the ΓL and ΓX directions of fcc close-packed opal films made of dielectric spheres. The group is index determined from the phase delay introduced by the structure to the forwardly transmitted electric field. We show that for certain frequencies, light propagation can either be superluminal -positive or negative- or approach zero depending on the crystal size and absorption. Such anomalous behavior can be attributed to the finite character of the structure and provides confirmation of recently emerged experimental results.

Anomalous Hall effect

Czech Academy of Sciences Publication Activity Database

Nagaosa, N.; Sinova, Jairo; Onoda, S.; MacDonald, A. H.; Ong, N. P.

2010-01-01

Roč. 82, č. 2 (2010), s. 1539-1592 ISSN 0034-6861 Institutional research plan: CEZ:AV0Z10100521 Keywords : anomalous Hall effect * spintronics Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 51.695, year: 2010

First-principles investigations on structural, elastic, electronic properties and Debye temperature of orthorhombic Ni3Ta under pressure

Science.gov (United States)

Li, Pan; Zhang, Jianxin; Ma, Shiyu; Jin, Huixin; Zhang, Youjian; Zhang, Wenyang

2018-06-01

The structural, elastic, electronic properties and Debye temperature of Ni3Ta under different pressures are investigated using the first-principles method based on density functional theory. Our calculated equilibrium lattice parameters at 0 GPa well agree with the experimental and previous theoretical results. The calculated negative formation enthalpies and elastic constants both indicate that Ni3Ta is stable under different pressures. The bulk modulus B, shear modulus G, Young's modulus E and Poisson's ratio ν are calculated by the Voigt-Reuss-Hill method. The bigger ratio of B/G indicates Ni3Ta is ductile and the pressure can improve the ductility of Ni3Ta. In addition, the results of density of states and the charge density difference show that the stability of Ni3Ta is improved by the increasing pressure. The Debye temperature ΘD calculated from elastic modulus increases along with the pressure.

Area of Lattice Polygons

Science.gov (United States)

Scott, Paul

2006-01-01

A lattice is a (rectangular) grid of points, usually pictured as occurring at the intersections of two orthogonal sets of parallel, equally spaced lines. Polygons that have lattice points as vertices are called lattice polygons. It is clear that lattice polygons come in various shapes and sizes. A very small lattice triangle may cover just 3…

Anomalous non-equilibrium electron transport in one-dimensional quantum nano wire at half-filling: time dependent density renormalization group study

Energy Technology Data Exchange (ETDEWEB)

Okumura, M; Onishi, H; Yamada, S; Machida, M, E-mail: okumura@riken.j

2010-11-01

We study non-equilibrium properties of one-dimensional Hubbard model by the density-matrix renormalization-group method. First, we demonstrate stability of 'doublon', which characterized by double occupation on a site due to the integrability of the model. Next, we present a kind of anomalous transport caused by the doublons created under strong non-equilibrium conditions in an optical lattice system regarded as an ideal testbed to investigate fundamental properties of the Hubbard model. Finally, we give a result on development of the pair correlation function in a strong non-equilibrium condition. This can be understood as a development of coherence among many excited doublons.

Anomalous behaviour of the magnetic susceptibility of the mixed spin-1 and spin- 1/2 anisotropic Heisenberg model in the Oguchi approximation

International Nuclear Information System (INIS)

Bobak, Andrej; Dely, Jan; Pokorny, Vladislav

2010-01-01

The effects of both an exchange anisotropy and a single-ion anisotropy on the magnetic susceptibility of the mixed spin-1 and spin- 1/2 Heisenberg model are investigated by the use of an Oguchi approximation. Particular emphasis is given to the simple cubic lattice with coordination number z = 6 for which the magnetic susceptibility is determined numerically. Anomalous behaviour in the thermal variation of the magnetic susceptibility in the low-temperature region is found due to the applied negative single-ion anisotropy field strength. Also, the difference between the behaviours of the magnetic susceptibility of the Heisenberg and Ising models is discussed.

Connection between recurrence time statistics and anomalous transport

International Nuclear Information System (INIS)

Zaslavsky, G.M.; Tippett, M.K.

1991-01-01

For a model stationary flow with hexagonal symmetry, the recurrence time statistics are studied. The model has been shown to have a sharp transition from normal to anomalous transport. Here it is shown that this transition is accompanied by a correspondent change of the recurrence time statistics from normal to anomalous. The latter one displays the existence of a power tail. Recurrence time statistics provide a local measurement of anomalous transport that is of practical interest

Inclusive anomalous muon production in e+e- annihilation

International Nuclear Information System (INIS)

Feldman, G.J.; Bulos, F.; Lueke, D.; Abrams, G.S.; Alam, M.S.; Boyarski, A.M.; Breidenbach, M.; Dorfan, J.; Friedberg, C.E.; Fryberger, D.; Goldhaber, G.; Hanson, G.; Heile, F.B.; Jaros, J.A.; Kadyk, J.A.; Larsen, R.R.; Litke, A.M.; Lueth, V.; Madaras, R.J.; Morehouse, C.C.; Nguyen, H.K.; Paterson, J.M.; Perl, M.L.; Peruzzi, I.; Piccolo, M.; Pierre, F.M.; Pun, T.P.; Rapidis, P.; Richter, B.; Sadoulet, B.; Schwitters, R.F.; Tanenbaum, W.; Trilling, G.H.; Vannucci, F.; Whitaker, J.S.; Wiss, J.E.

1977-01-01

We present measurements of inclusive anomalous muon production in e + e - annihilations in three energy ranges. In all three ranges we observe a large anomalous muon production rate in two-prong events which is compatible with the expected decays of pairs of heavy leptons. In the highest energy range there is also appreciable anomalous muon production in multiprong events which, due to its magnitude and momentum dependence, must come in part from a source other than a heavy lepton

Computational Elastic Knots

KAUST Repository

Zhao, Xin

2013-05-01

Elastic rods have been studied intensively since the 18th century. Even now the theory of elastic rods is still developing and enjoying popularity in computer graphics and physical-based simulation. Elastic rods also draw attention from architects. Architectural structures, NODUS, were constructed by elastic rods as a new method of form-finding. We study discrete models of elastic rods and NODUS structures. We also develop computational tools to find the equilibria of elastic rods and the shape of NODUS. Applications of elastic rods in forming torus knot and closing Bishop frame are included in this thesis.

Anomalous response of supported few-layer hexagonal boron nitride to DC electric fields: a confined water effect?

Science.gov (United States)

Oliveira, Camilla; Matos, Matheus; Mazzoni, Mário; Chacham, Hélio; Neves, Bernardo

2013-03-01

Hexagonal boron nitride (h-BN) is a two-dimensional compound from III-V family, with the atoms of boron and nitrogen arranged in a honeycomb lattice, similar to graphene. Unlike graphene though, h-BN is an insulator material, with a gap larger than 5 eV. Here, we use Electric Force Microscopy (EFM) to study the electrical response of mono and few-layers of h-BN to an electric field applied by the EFM tip. Our results show an anomalous behavior in the dielectric response for h-BN for different bias orientation: for a positive bias applied to the tip, h-BN layers respond with a larger dielectric constant than the dielectric constant of the silicon dioxide substrate; while for a negative bias, the h-BN dielectric constant is smaller than the dielectric constant of the substrate. Based on first-principles calculations, we showed that this anomalous response may be interpreted as a macroscopic consequence of confinement of a thin water layer between h-BN and substrate. These results were confirmed by sample annealing and also also by a comparative analysis with h-BN on a non-polar substrate. All the authors acknowledge financial support from CNPq, Fapemig, Rede Nacional de Pesquisa em Nanotubos de Carbono and INCT-Nano-Carbono.

Systematic Serendipity: A Method to Discover the Anomalous

Science.gov (United States)

Giles, Daniel; Walkowicz, Lucianne

2018-01-01

One of the challenges in the era of big data astronomical surveys is identifying anomalous data, data that exhibits as-of-yet unobserved behavior. These data may result from systematic errors, extreme (or rare) forms of known phenomena, or, most interestingly, truly novel phenomena that has historically required a trained eye and often fortuitous circumstance to identify. We describe a method that uses machine clustering techniques to discover anomalous data in Kepler lightcurves, as a step towards systematizing the detection of novel phenomena in the era of LSST. As a proof of concept, we apply our anomaly detection method to Kepler data including Boyajian's Star (KIC 8462852). We examine quarters 4, 8, 11, and 16 of the Kepler data which contain Boyajian’s Star acting normally (quarters 4 and 11) and anomalously (quarters 8 and 16). We demonstrate that our method is capable of identifying Boyajian’s Star’s anomalous behavior in quarters of interest, and we further identify other anomalous light curves that exhibit a range of interesting variability.

Full-potential calculations of structural, elastic and electronic properties of MgAl2O4 and ZnAl2O4 compounds

International Nuclear Information System (INIS)

Khenata, R.; Sahnoun, M.; Baltache, H.; Rerat, M.; Reshak, Ali H.; Al-Douri, Y.; Bouhafs, B.

2005-01-01

Theoretical studies of structural, elastic and electronic properties of spinel MgAl 2 O 4 and ZnAl 2 O 4 oxides are presented, using the full-potential linear augmented plane wave (FP-LAPW) method as implemented in the WIEN97 code. In this approach the local density approximation (LDA) is used for the exchange-correlation (XC) potential. Results are given for lattice constant, bulk modulus, and its pressure derivative. The band structure, density of states, pressure coefficients of energy gaps and elastic constants are also given. We present a detailed comparison with available experimental data and previous calculations. Good agreement is found

Anomalous couplings at LEP2

International Nuclear Information System (INIS)

Fayolle, D.

2002-01-01

In its second phase, LEP has allowed to study four fermion processes never observed before. Results are presented on the charged triple gauge boson couplings (TGC) from the W-pair, Single W and Single γ production. The anomalous quartic gauge couplings (QGC) are constrained using production of WWγ, νν-barγγ and Z γγ final states. Finally, limits on the neutral anomalous gauge couplings (NGC) using the Z γ and ZZ production processes are also reported. All results are consistent with the Standard Model expectations. (authors)

Computer simulations of anomalous transport

International Nuclear Information System (INIS)

Lee, W.W.; Okuda, H.

1980-07-01

Numerical plasma simulations have been carried out to study: (1) the turbulent spectrum and anomalous plasma transport associated with a steady state electrostatic drift turbulence; and (2) the anomalous energy transport of electrons due to shear-Alfven waves in a finite-β plasma. For the simulation of the steady state drift turbulence, it is observed that, in the absence of magnetic shear, the turbulence is quenched to a low level when the rotational transform is a rational number, while the turbulent level remains high for an irrational rotational transform

Determination of lattice parameters, strain state and composition in semipolar III-nitrides using high resolution X-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Frentrup, Martin, E-mail: frentrup@physik.tu-berlin.de; Wernicke, Tim; Stellmach, Joachim; Kneissl, Michael [Institute of Solid State Physics, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin (Germany); Hatui, Nirupam; Bhattacharya, Arnab [Department of Condensed Matter Physics and Materials Science, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400005 (India)

2013-12-07

In group-III-nitride heterostructures with semipolar or nonpolar crystal orientation, anisotropic lattice and thermal mismatch with the buffer or substrate lead to a complex distortion of the unit cells, e.g., by shearing of the lattice. This makes an accurate determination of lattice parameters, composition, and strain state under assumption of the hexagonal symmetry impossible. In this work, we present a procedure to accurately determine the lattice constants, strain state, and composition of semipolar heterostructures using high resolution X-ray diffraction. An analysis of the unit cell distortion shows that four independent lattice parameters are sufficient to describe this distortion. Assuming only small deviations from an ideal hexagonal structure, a linear expression for the interplanar distances d{sub hkl} is derived. It is used to determine the lattice parameters from high resolution X-ray diffraction 2ϑ-ω-scans of multiple on- and off-axis reflections via a weighted least-square fit. The strain and composition of ternary alloys are then evaluated by transforming the elastic parameters (using Hooke's law) from the natural crystal-fixed coordinate system to a layer-based system, given by the in-plane directions and the growth direction. We illustrate our procedure taking an example of (112{sup ¯}2) Al{sub κ}Ga{sub 1−κ}N epilayers with Al-contents over the entire composition range. We separately identify the in-plane and out-of-plane strains and discuss origins for the observed anisotropy.

Autonomic Vertical Elasticity of Docker Containers with ElasticDocker

OpenAIRE

Al-Dhuraibi , Yahya; Paraiso , Fawaz; Djarallah , Nabil; Merle , Philippe

2017-01-01

International audience; Elasticity is the key feature of cloud computing to scale computing resources according to application workloads timely. In the literature as well as in industrial products, much attention was given to the elasticity of virtual machines, but much less to the elasticity of containers. However, containers are the new trend for packaging and deploying microservices-based applications. Moreover, most of approaches focus on horizontal elasticity, fewer works address vertica...

New integrable lattice hierarchies

International Nuclear Information System (INIS)

Pickering, Andrew; Zhu Zuonong

2006-01-01

In this Letter we give a new integrable four-field lattice hierarchy, associated to a new discrete spectral problem. We obtain our hierarchy as the compatibility condition of this spectral problem and an associated equation, constructed herein, for the time-evolution of eigenfunctions. We consider reductions of our hierarchy, which also of course admit discrete zero curvature representations, in detail. We find that our hierarchy includes many well-known integrable hierarchies as special cases, including the Toda lattice hierarchy, the modified Toda lattice hierarchy, the relativistic Toda lattice hierarchy, and the Volterra lattice hierarchy. We also obtain here a new integrable two-field lattice hierarchy, to which we give the name of Suris lattice hierarchy, since the first equation of this hierarchy has previously been given by Suris. The Hamiltonian structure of the Suris lattice hierarchy is obtained by means of a trace identity formula

Magnetoelastic couplings in the distorted diamond-chain compound azurite

Science.gov (United States)

Cong, Pham Thanh; Wolf, Bernd; Manna, Rudra Sekhar; Tutsch, Ulrich; de Souza, Mariano; Brühl, Andreas; Lang, Michael

2014-05-01

We present results of ultrasonic measurements on a single crystal of the distorted diamond-chain compound azurite Cu3(CO3)2(OH)2. Pronounced elastic anomalies are observed in the temperature dependence of the longitudinal elastic mode c22 which can be assigned to the relevant magnetic interactions in the system and their couplings to the lattice degrees of freedom. From a semiquantitative analysis of the magnetic contribution to c22 the magnetoelastic coupling G =∂J2/∂ɛb can be estimated, where J2 is the intradimer coupling constant and ɛb the strain along the intrachain b axis. We find an exceptionally large coupling constant of |G |˜ 3650 K highlighting an extraordinarily strong sensitivity of J2 against changes of the b-axis lattice parameter. These results are complemented by measurements of the hydrostatic pressure dependence of J2 by means of thermal expansion and magnetic susceptibility measurements performed both at ambient and finite hydrostatic pressure. We propose that a structural peculiarity of this compound, in which Cu2O6 dimer units are incorporated in an unusually stretched manner, is responsible for the anomalously large magnetoelastic coupling.

Lattice gauge theories

International Nuclear Information System (INIS)

Creutz, M.

1983-04-01

In the last few years lattice gauge theory has become the primary tool for the study of nonperturbative phenomena in gauge theories. The lattice serves as an ultraviolet cutoff, rendering the theory well defined and amenable to numerical and analytical work. Of course, as with any cutoff, at the end of a calculation one must consider the limit of vanishing lattice spacing in order to draw conclusions on the physical continuum limit theory. The lattice has the advantage over other regulators that it is not tied to the Feynman expansion. This opens the possibility of other approximation schemes than conventional perturbation theory. Thus Wilson used a high temperature expansion to demonstrate confinement in the strong coupling limit. Monte Carlo simulations have dominated the research in lattice gauge theory for the last four years, giving first principle calculations of nonperturbative parameters characterizing the continuum limit. Some of the recent results with lattice calculations are reviewed

Elastic properties

International Nuclear Information System (INIS)

Ledbetter, H.M.

1983-01-01

This chapter investigates the following five aspects of engineering-material solid-state elastic constants: general properties, interrelationships, relationships to other physical properties, changes during cooling from ambient to near-zero temperature, and near-zero-temperature behavior. Topics considered include compressibility, bulk modulus, Young's modulus, shear modulus, Poisson's ratio, Hooke's law, elastic-constant measuring methods, thermodynamic potentials, higher-order energy terms, specific heat, thermal expansivity, magnetic materials, structural phase transitions, polymers, composites, textured aggregates, and other-phenomena correlations. Some of the conclusions concerning polycrystalline elastic properties and their temperature dependence are: elastic constants are physical, not mechanical, properties which relate thermodynamically to other physical properties such as specific heat and thermal expansivity; elastic constants at low temperatures are nearly temperature independent, as required by the third law of thermodynamics; and elastic constants can be used to study directional properties of materials, such as textured aggregates and composites

Metallic transport and large anomalous Hall effect at room temperature in ferrimagnetic Mn{sub 4}N epitaxial thin film

Energy Technology Data Exchange (ETDEWEB)

Shen, Xi; Shigematsu, Kei [Department of Chemistry, The University of Tokyo, Tokyo 113-0033 (Japan); Chikamatsu, Akira, E-mail: chikamatsu@chem.s.u-tokyo.ac.jp; Fukumura, Tomoteru [Department of Chemistry, The University of Tokyo, Tokyo 113-0033 (Japan); CREST, Japan Science and Technology Agency (JST), Tokyo 113-0033 (Japan); Hirose, Yasushi; Hasegawa, Tetsuya [Department of Chemistry, The University of Tokyo, Tokyo 113-0033 (Japan); CREST, Japan Science and Technology Agency (JST), Tokyo 113-0033 (Japan); Kanagawa Academy of Science and Technology (KAST), Kawasaki 213-0012 (Japan)

2014-08-18

We report the electrical transport properties of ferrimagnetic Mn{sub 4}N (001) epitaxial thin films grown by pulsed laser deposition on MgO (001) substrates. The Mn{sub 4}N thin films were tetragonally distorted with a ratio of out-of-plane to in-plane lattice constants of 0.987 and showed perpendicular magnetic anisotropy with an effective magnetic anisotropy constant of 0.16 MJ/m{sup 3}, which is comparable with that of a recently reported molecular-beam-epitaxy-grown film. The thin films exhibited metallic transport with a room temperature resistivity of 125 μΩ cm in addition to a large anomalous Hall effect with a Hall angle tangent of 0.023.

Ultrasonic characterization of Cu-Al-Ni single crystals lattice stability in the vicinity of the phase transition.

Science.gov (United States)

Landa, Michal; Novák, Václav; Sedlák, Petr; Sittner, Petr

2004-04-01

Measurements of elastic constants of the austenite phase when approaching the phase transformation either upon cooling or stressing is of the crucial interest for the shape memory alloy field. Acoustic properties (wave velocity and also attenuation changes) of the Cu-Al-Ni single crystal were investigated in situ during stress-induced martensitic transformation at constant (room) temperature. The parent austenite cubic lattice of the Cu-Al-Ni exhibits very high elastic anisotropy (anisotropy factor A approximately 12). The measurements were made using nine combinations of (i) applied uniaxial compression in a given crystal direction, (ii) the wave propagation and (iii) polarization vectors. The chosen configurations are sufficient for evaluation of all independent third order elastic constants (TOEC). The longitudinal modes were also measured by the immersion technique, using the transducer pair in a water tank installed on the testing machine. The device works as "a ultrasonic extensometer" measuring a transverse strain of the specimen. The dependencies of both natural and initial wave velocities on the applied stress may be evaluated. Three elastic constants of the stress-induced martensite were determined. The elastic properties were found to vary with the increasing stress above the Ms transformation temperature, which is interpreted as a precursor for the martensitic transformation. The onset of the transformation was additionally identified from the acoustic emission measurement.

Convection-diffusion lattice Boltzmann scheme for irregular lattices

NARCIS (Netherlands)

Sman, van der R.G.M.; Ernst, M.H.

2000-01-01

In this paper, a lattice Boltzmann (LB) scheme for convection diffusion on irregular lattices is presented, which is free of any interpolation or coarse graining step. The scheme is derived using the axioma that the velocity moments of the equilibrium distribution equal those of the

Anomalous N=2 superconformal Ward identities

International Nuclear Information System (INIS)

Ketov, Sergei V.

2000-01-01

The N=2 superconformal Ward identities and their anomalies are discussed in N=2 superspace (including N=2 harmonic superspace), at the level of the low-energy effective action (LEEA) in four-dimensional N=2 supersymmetric field theories. The (first) chiral N=2 supergravity compensator is related to the known N=2 anomalous Ward identity in the N=2 (abelian) vector mulitplet sector. As regards the hypermultiplet LEEA given by the N=2 non-linear sigma-model (NLSM), a new anomalous N=2 superconformal Ward identity is found, whose existence is related to the (second) analytic compensator in N=2 supergravity. The celebrated solution of Seiberg and Witten is known to obey the (first) anomalous Ward identity in the Coulomb branch. We find a few solutions to the new anomalous Ward identity, after making certain assumptions about unbroken internal symmetries. Amongst the N=2 NLSM target space metrics governing the hypermultiplet LEEA are the SU(2)-Yang-Mills-Higgs monopole moduli-space metrics that can be encoded in terms of the spectral curves (Riemann surfaces), similarly to the Seiberg-Witten-type solutions. After a dimensional reduction to three spacetime dimensions (3d), our results support the mirror symmetry between the Coulomb and Higgs branches in 3d, N=4 gauge theories

Fractional diffusion equations and anomalous diffusion

CERN Document Server

Evangelista, Luiz Roberto

2018-01-01

Anomalous diffusion has been detected in a wide variety of scenarios, from fractal media, systems with memory, transport processes in porous media, to fluctuations of financial markets, tumour growth, and complex fluids. Providing a contemporary treatment of this process, this book examines the recent literature on anomalous diffusion and covers a rich class of problems in which surface effects are important, offering detailed mathematical tools of usual and fractional calculus for a wide audience of scientists and graduate students in physics, mathematics, chemistry and engineering. Including the basic mathematical tools needed to understand the rules for operating with the fractional derivatives and fractional differential equations, this self-contained text presents the possibility of using fractional diffusion equations with anomalous diffusion phenomena to propose powerful mathematical models for a large variety of fundamental and practical problems in a fast-growing field of research.

The influence of crystal defects on the elastic properties of tungsten metals

Energy Technology Data Exchange (ETDEWEB)

Chang, Hongyan [School of Physical Science Technology, Southwest Jiaotong University, Chengdu 610031 (China); Huang, Zheng, E-mail: zhhuang@home.swjtu.edu.cn [School of Physical Science Technology, Southwest Jiaotong University, Chengdu 610031 (China); Wen, Shulong [Laboratory of Advanced Technology of Materials (Ministry of Education),Superconductivity and New Energy R& D Center, Southwest Jiaotong University, Chengdu 610031 (China); Chen, Ji ming; Liu, Xiang [Fusion Science of Southwestern Institute of Physics, Chengdu, Sichuan 610041 (China); Pan, Min, E-mail: mpan@home.swjtu.edu.cn [Laboratory of Advanced Technology of Materials (Ministry of Education),Superconductivity and New Energy R& D Center, Southwest Jiaotong University, Chengdu 610031 (China); Western Superconducting Technologies Co., Ltd., Xi’an, Shanxi 710018 (China); Zhao, Yong [Laboratory of Advanced Technology of Materials (Ministry of Education),Superconductivity and New Energy R& D Center, Southwest Jiaotong University, Chengdu 610031 (China)

2016-11-01

Highlights: • The energy of FCC structure generated during the plastic deformation was higher than that of the BCC structure, thus the system energy was consumed. • The energy of HCP lattice was higher than that of FCC lattices. The two kinds of lattices form the twin belt with a long range periodic order, and so the system stress changed periodically with the strain. • The growth of the disordered structure not only destroyed the long range periodic structure of the twin belt, but also produced a cavity, which absorbed a large amount of energy and finally made the system fractured. • The effect of temperature on the fracture was equivalent to the effect of the vacancy, and the correlation between temperature and vacancy was quadratic. - Abstract: The four stretching process stages of the elastic, plastic, stalemate, and fracture were represented for the metal tungsten by using molecular dynamics method. The young's modulus, yield strain and yield stress were calculated. The microscopic mechanics of the stretching process is analyzed. The energy of FCC and HCP generated was higher than that of BCC, so that the energy of the system increased, and the stress level was lower in the plastic deformation stage. In the late stage of plastic deformation, the growth of the twin belt was of long range ordered periodic structure, which made the system stress change periodically. In the Stalemate Stage of deformation, the other disordered structure, setting in the HCP structure of the twin belt, growed to absorb energy and generate cavity under stress and makes the lattice fracture. The yield stress of metal tungsten decreases monotonically with temperature and vacancy. The effects of temperature and vacancy on the lattice fracture were discussed.

Anomalous behavior of chemically synthesized magneto plumbite strontium ferrite nano particles

International Nuclear Information System (INIS)

Asghar, G.; Nasir, S.; Awan, M.S.; Tariq, G.H.; Anis-ur-Rehman, M.

2011-01-01

Strontium hexa-ferrite nanoparticles were prepared successfully by simple co-precipitation method. The XRD analysis confirmed the formation of single phase MFe/sub 12/O/sub 19/ (M=Sr). Parameters such as crystallite size, lattice constant, X-ray density and porosity were calculated from the X-ray diffraction data. The crystallite sizes were in the range 12-26 nm. The temperature dependent dc electrical resistivity measurements showed that the material was highly. Dielectric constant and dielectric loss factor (tand) were measured in the frequency range 20Hz-3MHz. The anomalous behavior of dielectric loss revealed a very important behavior of the prepared sample of SrFe/sub 12/O/sub 19/ in different frequency regions and that could be used for new applications of this material. The magnetic properties were determined from the hystersis loop obtained from vibrating sample magnetometer (VSM). The Curie temperature was determined by susceptometer. This material is potentially suitable for use as a recording medium in identification cards and credit cards and for the fabrication of permanent magnets. (author)

Anomalous diffusion of water molecules at grain boundaries in ice Ih.

Science.gov (United States)

Moreira, Pedro Augusto Franco Pinheiro; Veiga, Roberto Gomes de Aguiar; Ribeiro, Ingrid de Almeida; Freitas, Rodrigo; Helfferich, Julian; de Koning, Maurice

2018-05-23

Using ab initio and classical molecular dynamics simulations, we study pre-melting phenomena in pristine coincident-site-lattice grain boundaries (GBs) in proton-disordered hexagonal ice Ih at temperatures just below the melting point Tm. Concerning pre-melt-layer thicknesses, the results are consistent with the available experimental estimates for low-disorder impurity-free GBs. With regard to molecular mobility, the simulations provide a key new insight: the translational motion of the water molecules is found to be subdiffusive for time scales from ∼10 ns up to at least 0.1 μs. Moreover, the fact that the anomalous diffusion occurs even at temperatures just below Tm where the bulk supercooled liquid still diffuses normally suggests that it is related to the confinement of the GB pre-melt layers by the surrounding crystalline environment. Furthermore, we show that this behavior can be characterized by continuous-time random walk models in which the waiting-time distributions decay according to power-laws that are very similar to those describing dynamics in glass-forming systems.

The stabilities, electronic structures and elastic properties of Rb—As systems

International Nuclear Information System (INIS)

Ozisik Havva Bogaz; Colakoglu Kemal; Deligoz Engin; Ozisik Haci

2012-01-01

The structural, electronic and elastic properties of Rb—As systems (RbAs in NaP, LiAs and AuCu structures, RbAs 2 in the MgCu 2 structure, Rb 3 As in Na 3 As, Cu 3 P and Li 3 Bi structures, and Rb 5 As 4 in the A 5 B 4 structure) are investigated with the generalized gradient approximation in the frame of density functional theory. The lattice parameters, cohesive energies, formation energies, bulk moduli and the first derivatives of the bulk moduli (to fit Murnaghan's equation of state) of the considered structures are calculated and reasonable agreement is obtained. In addition, the phase transition pressures are also predicted. The electronic band structures, the partial densities of states corresponding to the band structures and the charge density distributions are presented and analysed. The second-order elastic constants based on the stress-strain method and other related quantities such as Young's modulus, the shear modulus, Poisson's ratio, sound velocities, the Debye temperature and shear anisotropy factors are also estimated. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Lattices with unique complements

CERN Document Server

Saliĭ, V N

1988-01-01

The class of uniquely complemented lattices properly contains all Boolean lattices. However, no explicit example of a non-Boolean lattice of this class has been found. In addition, the question of whether this class contains any complete non-Boolean lattices remains unanswered. This book focuses on these classical problems of lattice theory and the various attempts to solve them. Requiring no specialized knowledge, the book is directed at researchers and students interested in general algebra and mathematical logic.

Mechanically equivalent elastic-plastic deformations and the problem of plastic spin

Directory of Open Access Journals (Sweden)

Steigmann David J.

2011-01-01

Full Text Available The problem of plastic spin is phrased in terms of a notion of mechanical equivalence among local intermediate configurations of an elastic/ plastic crystalline solid. This idea is used to show that, without further qualification, the plastic spin may be suppressed at the constitutive level. However, the spin is closely tied to an underlying undistorted crystal lattice which, once specified, eliminates the freedom afforded by mechanical equivalence. As a practical matter a constitutive specification of plastic spin is therefore required. Suppression of plastic spin thus emerges as merely one such specification among many. Restrictions on these are derived in the case of rate-independent response.

The Lattice-Valued Turing Machines and the Lattice-Valued Type 0 Grammars

Directory of Open Access Journals (Sweden)

Juan Tang

2014-01-01

Full Text Available Purpose. The purpose of this paper is to study a class of the natural languages called the lattice-valued phrase structure languages, which can be generated by the lattice-valued type 0 grammars and recognized by the lattice-valued Turing machines. Design/Methodology/Approach. From the characteristic of natural language, this paper puts forward a new concept of the l-valued Turing machine. It can be used to characterize recognition, natural language processing, and dynamic characteristics. Findings. The mechanisms of both the generation of grammars for the lattice-valued type 0 grammar and the dynamic transformation of the lattice-valued Turing machines were given. Originality/Value. This paper gives a new approach to study a class of natural languages by using lattice-valued logic theory.

Anomalous nuclear fragments

International Nuclear Information System (INIS)

Karmanov, V.A.

1983-01-01

Experimental data are given, the status of anomalon problem is discussed, theoretical approaches to this problem are outlined. Anomalons are exotic objects formed following fragmentation of nuclei-targets under the effect of nuclei - a beam at the energy of several GeV/nucleon. These nuclear fragments have an anomalously large cross section of interaction and respectively, small free path, considerably shorter than primary nuclei have. The experimental daa are obtained in accelerators following irradiation of nuclear emulsions by 16 O, 56 Fe, 40 Ar beams, as well as propane by 12 C beams. The experimental data testify to dependence of fragment free path on the distance L from the point of the fragment formation. A decrease in the fragment free path is established more reliably than its dependence on L. The problem of the anomalon existence cannot be yet considered resolved. Theoretical models suggested for explanation of anomalously large cross sections of nuclear fragment interaction are variable and rather speculative

Can I solve my structure by SAD phasing? Anomalous signal in SAD phasing.

Science.gov (United States)

Terwilliger, Thomas C; Bunkóczi, Gábor; Hung, Li Wei; Zwart, Peter H; Smith, Janet L; Akey, David L; Adams, Paul D

2016-03-01

A key challenge in the SAD phasing method is solving a structure when the anomalous signal-to-noise ratio is low. A simple theoretical framework for describing measurements of anomalous differences and the resulting useful anomalous correlation and anomalous signal in a SAD experiment is presented. Here, the useful anomalous correlation is defined as the correlation of anomalous differences with ideal anomalous differences from the anomalous substructure. The useful anomalous correlation reflects the accuracy of the data and the absence of minor sites. The useful anomalous correlation also reflects the information available for estimating crystallographic phases once the substructure has been determined. In contrast, the anomalous signal (the peak height in a model-phased anomalous difference Fourier at the coordinates of atoms in the anomalous substructure) reflects the information available about each site in the substructure and is related to the ability to find the substructure. A theoretical analysis shows that the expected value of the anomalous signal is the product of the useful anomalous correlation, the square root of the ratio of the number of unique reflections in the data set to the number of sites in the substructure, and a function that decreases with increasing values of the atomic displacement factor for the atoms in the substructure. This means that the ability to find the substructure in a SAD experiment is increased by high data quality and by a high ratio of reflections to sites in the substructure, and is decreased by high atomic displacement factors for the substructure.

Additive lattice kirigami.

Science.gov (United States)

Castle, Toen; Sussman, Daniel M; Tanis, Michael; Kamien, Randall D

2016-09-01

Kirigami uses bending, folding, cutting, and pasting to create complex three-dimensional (3D) structures from a flat sheet. In the case of lattice kirigami, this cutting and rejoining introduces defects into an underlying 2D lattice in the form of points of nonzero Gaussian curvature. A set of simple rules was previously used to generate a wide variety of stepped structures; we now pare back these rules to their minimum. This allows us to describe a set of techniques that unify a wide variety of cut-and-paste actions under the rubric of lattice kirigami, including adding new material and rejoining material across arbitrary cuts in the sheet. We also explore the use of more complex lattices and the different structures that consequently arise. Regardless of the choice of lattice, creating complex structures may require multiple overlapping kirigami cuts, where subsequent cuts are not performed on a locally flat lattice. Our additive kirigami method describes such cuts, providing a simple methodology and a set of techniques to build a huge variety of complex 3D shapes.

Comparison of the anomalous and non-anomalous generalized Schwinger models via functional formalism

International Nuclear Information System (INIS)

Souza Dutra, A. de.

1992-01-01

The Green functions of the two versions of the two versions of the generalized Schwinger model, the anomalous and the non-anomalous one, in their higher order Lagrangian density form are calculated. Furthermore it is shown through a sequence of transformations that the bosonized Lagrangian density is equivalent to the former, at least for the bosonic correlation functions. The introduction of the sources from the beginning, leading to a gauge-invariant source term is also considered. It is verified that the two models have the same correlation functions only of the gauge-invariant sector is taken into account. Finally it is presented a generalization of the Wess-Zumino term, and its physical consequences are studied, in particular the appearance of gauge-dependent massive excitations. (author)

Diffraction stress analysis of thin films; investigating elastic grain interaction

International Nuclear Information System (INIS)

Kumar, A.

2005-12-01

This work is dedicated to the investigation of specimens exhibiting anisotropic microstructures (and thus macroscopic elastic anisotropy) and/or inhomogeneous microstructures, as met near surfaces and in textured materials. The following aspects are covered: (i) Analysis of specimens with direction-dependent (anisotropic) elastic grain-interaction. Elastic grain-interaction determines the distribution of stresses and strains over the (crystallographically) differently oriented grains of a mechanically stressed polycrystal and the mechanical and diffraction (X-ray) elastic constants (relating (diffraction) lattice strains to mechanical stresses). Grain interaction models that allow for anisotropic, direction-dependent grain interaction have been developed very recently. The notion 'direction-dependent' grain-interaction signifies that different grain-interaction constraints prevail along different directions in a specimen. Practical examples of direction-dependent grain interaction are the occurrence of surface anisotropy in thin films and the surface regions of bulk polycrystals and the occurrence of grain-shape (morphological) texture. In this work, for the first time, stress analyses of thin films have been performed on the basis of these newly developed grain-interaction models. It has also been demonstrated that the identification of the (dominant) source of direction-dependent grain interaction is possible. The results for the grain interaction have been discussed in the light of microstructural investigations of the specimens by microscopic techniques. (ii) Analysis of specimens with depth gradients: Diffraction stress analysis can be hindered if gradients of the stress state, the composition or the microstructure occur in the specimen under investigation, as the so-called information depth varies in the course of a traditional stress measurement: Ambiguous results are thus generally obtained. In this work, a strategy for stress measurements at fixed

Surface phonons and elastic surface waves

Science.gov (United States)

Büscher, H.; Klein-Heßling, W.; Ludwig, W.

Theoretical investigations on the dynamics of the (001), (110) and (111) surfaces of some cubic metals (Ag, Cu, Ni) will be reviewed. Both, lattice dynamical and continuum theoretical results are obtained via a Green's function formalism. The main attitude of this paper is the comparison of our results with experiments and with results obtained via slab-calculations. The calculation of elastic surface waves has been performed using a modified surface-green-function-matching method. We have used two different approaches of calculation the bulk Green's function (a) using the spectral representation and (b) a method, what works on residues. The investigations are carried out using shortrange phenomenological potentials. The atomic force constants in the first surface layers are modified to describe surface phonon anomalies, observed by experiments. In the case of Ag (100) and Ag(110) we conclude that the detection of odd symmetry shear modes by Erskine et al. [1 a, b] was not very accurate.

Surface phonons and elastic surface waves

International Nuclear Information System (INIS)

Buescher, H.; Klein-Hessling, W.; Ludwig, W.

1993-01-01

Theoretical investigations on the dynamics of the (001), (110) and (111) surfaces of some cubic metals (Ag, Cu, Ni) will be reviewed. Both, lattice dynamical and continuum theoretical results are obtained via a Green's function formalism. The main attitude of this paper is the comparison of our results with experiments and with results obtained via slab-calculations. The calculation of elastic surface waves has been performed using a modified surface-green-function-matching method. We have used two different approaches of calculation the bulk Green's function (a) using the spectral representation and (b) a method, what works on residues. The investigations are carried out using shortrange phenomenological potentials. The atomic force constants in the first surface layers are modified to describe surface phonon anomalies, observed by experiments. In the case of Ag(100) and Ag(110) we conclude that the detection of odd symmetry shear modes by Erskine et al. was not very accurate. (orig.)

Finite-lattice-spacing corrections to masses and g factors on a lattice

International Nuclear Information System (INIS)

Roskies, R.; Wu, J.C.

1986-01-01

We suggest an alternative method for extracting masses and g factors from lattice calculations. Our method takes account of more of the infrared and ultraviolet lattice effects. It leads to more reasonable results in simulations of QED on a lattice

The Raman spectrum and lattice parameters of MgB2 as a function of temperature

International Nuclear Information System (INIS)

Shi Lei; Zhang Huarong; Chen Lin; Feng Yong

2004-01-01

The temperature dependences of the Raman spectrum and lattice parameters of polycrystalline MgB 2 have been investigated by means of Raman spectroscopy and x-ray diffraction. It is found that the lattice parameters show an approximately linear change with the temperature decrease, giving different thermal expansions along the a- and c-axes, which is caused by the comparatively weak metal-boron bonding in MgB 2 . The grain size of MgB 2 determined by means of x-ray diffraction is around 45 nm for both [100] and [001] directions. There is no evidence for any structural transition while the temperature changes from 300 K down to 12 K. An anomalous Raman band at 603 cm -1 is observed, which is consistent with the theoretical prediction for the E 2g in-plane boron stretching mode. The Raman frequency increases and the linewidth decreases as the temperature decreases. A possible origin of the temperature dependences of the Raman frequency and the linewidth is discussed. It is suggested that the grain size effect of MgB 2 on the nanometric scale will have a clear influence on the frequency and the linewidth of the Raman spectrum

Lattices for laymen: a non-specialist's introduction to lattice gauge theory

International Nuclear Information System (INIS)

Callaway, D.J.E.

1985-01-01

The review on lattice gauge theory is based upon a series of lectures given to the Materials Science and Technology Division at Argonne National Laboratory. Firstly the structure of gauge theories in the continuum is discussed. Then the lattice formulation of these theories is presented, including quantum electrodynamics and non-abelian lattice gauge theories. (U.K.)

Lattice QCD on fine lattices

Energy Technology Data Exchange (ETDEWEB)

Schaefer, Stefan [DESY (Germany). Neumann Inst. for Computing

2016-11-01

These configurations are currently in use in many on-going projects carried out by researchers throughout Europe. In particular this data will serve as an essential input into the computation of the coupling constant of QCD, where some of the simulations are still on-going. But also projects computing the masses of hadrons and investigating their structure are underway as well as activities in the physics of heavy quarks. As this initial project of gauge field generation has been successful, it is worthwhile to extend the currently available ensembles with further points in parameter space. These will allow to further study and control systematic effects like the ones introduced by the finite volume, the non-physical quark masses and the finite lattice spacing. In particular certain compromises have still been made in the region where pion masses and lattice spacing are both small. This is because physical pion masses require larger lattices to keep the effects of the finite volume under control. At light pion masses, a precise control of the continuum extrapolation is therefore difficult, but certainly a main goal of future simulations. To reach this goal, algorithmic developments as well as faster hardware will be needed.

Strong coupling expansion for scattering phases in hamiltonian lattice field theories. Pt. 2. SU(2) gauge theory in (2+1) dimensions

International Nuclear Information System (INIS)

Dahmen, B.

1994-12-01

A recently proposed method for a strong coupling analysis of scattering phenomena in hamiltonian lattice field theories is applied to the SU(2) Yang-Mills model in (2 + 1) dimensions. The calculation is performed up to second order in the hopping parameter. All relevant quantities that characterize the collision between the lightest glueballs in the elastic region - cross section, phase shifts, resonance parameters - are determined. (orig.)

The anomalous self-diffusion in α-Zr

International Nuclear Information System (INIS)

Hood, G.M.

1985-01-01

In a very recent publication, Horvath, Dyment and Mehrer, henceforth HDM, presented measurements of the self-diffusion coefficient Dsub(m) 0 for α-Zr as a function of temperature. The results of that study, done on a single crystal sample, were anomalous in the sense that a plot of log Dsub(m) 0 vs. 1/T(K -1 ) was not only non-linear, but exhibited two regions of downward curvature with increasing 1/T. HDM indicated that they were unable to see any explanation of their anomalous self-diffusion results. It is the purpose of this letter to indicate a means whereby these anomalous results may be ''explained'' and to suggest some experiments which might be undertaken to test the proposal. (orig./RK)

Mechanical metamaterials at the theoretical limit of isotropic elastic stiffness

Science.gov (United States)

Berger, J. B.; Wadley, H. N. G.; McMeeking, R. M.

2017-02-01

A wide variety of high-performance applications require materials for which shape control is maintained under substantial stress, and that have minimal density. Bio-inspired hexagonal and square honeycomb structures and lattice materials based on repeating unit cells composed of webs or trusses, when made from materials of high elastic stiffness and low density, represent some of the lightest, stiffest and strongest materials available today. Recent advances in 3D printing and automated assembly have enabled such complicated material geometries to be fabricated at low (and declining) cost. These mechanical metamaterials have properties that are a function of their mesoscale geometry as well as their constituents, leading to combinations of properties that are unobtainable in solid materials; however, a material geometry that achieves the theoretical upper bounds for isotropic elasticity and strain energy storage (the Hashin-Shtrikman upper bounds) has yet to be identified. Here we evaluate the manner in which strain energy distributes under load in a representative selection of material geometries, to identify the morphological features associated with high elastic performance. Using finite-element models, supported by analytical methods, and a heuristic optimization scheme, we identify a material geometry that achieves the Hashin-Shtrikman upper bounds on isotropic elastic stiffness. Previous work has focused on truss networks and anisotropic honeycombs, neither of which can achieve this theoretical limit. We find that stiff but well distributed networks of plates are required to transfer loads efficiently between neighbouring members. The resulting low-density mechanical metamaterials have many advantageous properties: their mesoscale geometry can facilitate large crushing strains with high energy absorption, optical bandgaps and mechanically tunable acoustic bandgaps, high thermal insulation, buoyancy, and fluid storage and transport. Our relatively simple

Atomistic modelling of diffusional phase transformations with elastic strain

International Nuclear Information System (INIS)

Mason, D R; Rudd, R E; Sutton, A P

2004-01-01

Phase transformations in 2xxx series aluminium alloys (Al-Cu-Mg) are investigated with an off-lattice atomistic kinetic Monte Carlo simulation incorporating the effects of strain around misfitting atoms and vacancies. Atomic interactions are modelled by Finnis-Sinclair potentials constructed for these simulations. Vacancy diffusion is modelled by comparing the energies of trial states, where the system is partially relaxed for each trial state. No special requirements are made about the description of atomic interactions, making our approach suitable for more fundamentally based models such as tight binding if sufficient computational resources are available. Only a limited precision is required for the energy of each trial state, determined by the value of k B T. Since the change in the relaxation displacement field caused by a vacancy hop decays as 1/r 3 , it is sufficient to determine the next move by relaxing only those atoms in a sphere of finite radius centred on the moving vacancy. However, once the next move has been selected, the entire system is relaxed. Simulations of the early stages of phase separation in Al-Cu with elastic relaxation show an enhanced rate of clustering compared to those performed on the same system with a rigid lattice

The characterisation of VSe2: a study of the thermal expansion

International Nuclear Information System (INIS)

Wiegers, G.A.

1981-01-01

The thermal expansion of VSe 2 from 40-1175 K has been determined by x-ray diffraction. The lattice expansion is linear with temperature from 40 to about 300 K with αsub(a) = 18.6 x 10 -6 K -1 and αsub(c) = 9.8 x 10 -6 K -1 . The behaviour αsub(a) > αsub(c) is anomalous for a layer compound. From the relation between the thermal expansion and the elastic constants it follows that either the elastic constants of VSe 2 are anomalous for a layer compound or the elastic constants are normal but there is a large anisotropy in the Gruneisen functions γsub(a) and γsub(c) (γsub(a) > γsub(c)) together with a relatively large value of the cross compliance constant s 13 . The latter possibility is probably true. The physical origin lies in the electronic structure; the exceptionally high ratio c/a (1.823 at 40 K, 1.818 at 300 K) due to a band Jahn-Teller type distortion, decreases at increasing temperature. The expansion above about 300 K is no longer linear; with increasing temperature the expansion of the a axis increases while that of the c axis becomes almost zero. The non-linear behaviour is ascribed to the formation of Frenkel defects: intrasandwich vanadium is transferred to the interstitial sites in the Van der Waals gap. (author)

Anomalous and resonance small-angle scattering

International Nuclear Information System (INIS)

Epperson, J.E.; Thiyagarajan, P.

1988-01-01

Significant changes in the small-angle scattered intensity can be induced by making measurements with radiation close to an absorption edge of an appropriate atomic species contained in the sample. These changes can be related quantitatively to the real and imaginary anomalous-dispersion terms for the scattering factor (X-rays) or scattering length (neutrons). The physics inherent in these anomalous-dispersion terms is first discussed before consideration of how they enter the relevant scattering theory. Two major areas of anomalous-scattering research have emerged; macromolecules in solution and unmixing of metallic alloys. Research in each area is reviewed, illustrating both the feasibility and potential of these techniques. All the experimental results reported to date have been obtained with X-rays. However, it is pointed out that the formalism is the same for the analog experiment with neutrons, and a number of suitable isotopes exist which exhibit resonance in an accessible range of energy. Potential applications of resonance small-angle neutron scattering are discussed. (orig.)

First-principles study of structural stability, electronic, optical and elastic properties of binary intermetallic: PtZr

Energy Technology Data Exchange (ETDEWEB)

Pagare, Gitanjali, E-mail: gita-pagare@yahoo.co.in [Department of Physics, Sarojini Naidu Government Girls P. G. Autonomous College, Bhopal-462016 (India); Jain, Ekta, E-mail: jainekta05@gmail.com [Department of Physics, Government M. L. B. Girls P. G. Autonomous College, Bhopal-462002 (India); Sanyal, S. P., E-mail: sps.physicsbu@gmail.com [Department of Physics, Barkatullah University, Bhopal-462026 (India)

2016-05-06

Structural, electronic, optical and elastic properties of PtZr have been studied using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). The energy against volume and enthalpy vs. pressure variation in three different structures i.e. B{sub 1}, B{sub 2} and B{sub 3} for PtZr has been presented. The equilibrium lattice parameter, bulk modulus and its pressure derivative have been obtained using optimization method for all the three phases. Furthermore, electronic structure was discussed to reveal the metallic character of the present compound. The linear optical properties are also studied under zero pressure for the first time. Results on elastic properties are obtained using generalized gradient approximation (GGA) for exchange correlation potentials. Ductile nature of PtZr compound is predicted in accordance with Pugh’s criteria.

Stress field of a near-surface basal screw dislocation in elastically anisotropic hexagonal crystals

Directory of Open Access Journals (Sweden)

Valeri S. Harutyunyan

2017-11-01

Full Text Available In this study, we derive and analyze the analytical expressions for stress components of the dislocation elastic field induced by a near-surface basal screw dislocation in a semi-infinite elastically anisotropic material with hexagonal crystal lattice. The variation of above stress components depending on “free surface–dislocation” distance (i.e., free surface effect is studied by means of plotting the stress distribution maps for elastically anisotropic crystals of GaN and TiB2 that exhibit different degrees of elastic anisotropy. The dependence both of the image force on a screw dislocation and the force of interaction between two neighboring basal screw dislocations on the “free surface–dislocation” distance is analyzed as well. The influence of elastic anisotropy on the latter force is numerically analyzed for GaN and TiB2 and also for crystals of such highly elastically-anisotropic materials as Ti, Zn, Cd, and graphite. The comparatively stronger effect of the elastic anisotropy on dislocation-induced stress distribution quantified for TiB2 is attributed to the higher degree of elastic anisotropy of this compound in comparison to that of the GaN. For GaN and TiB2, the dislocation stress distribution maps are highly influenced by the free surface effect at “free surface–dislocation” distances roughly smaller than ≈15 and ≈50 nm, respectively. It is found that, for above indicated materials, the relative decrease of the force of interaction between near-surface screw dislocations due to free surface effect is in the order Ti > GaN > TiB2 > Zn > Cd > Graphite that results from increase of the specific shear anisotropy parameter in the reverse order Ti < GaN < TiB2 < Zn < Cd < Graphite. The results obtained in this study are also applicable to the case when a screw dislocation is situated in the “thin film–substrate” system at a (0001 basal interface between the film and substrate provided that the elastic constants

On singularities of lattice varieties

OpenAIRE

Mukherjee, Himadri

2013-01-01

Toric varieties associated with distributive lattices arise as a fibre of a flat degeneration of a Schubert variety in a minuscule. The singular locus of these varieties has been studied by various authors. In this article we prove that the number of diamonds incident on a lattice point $\\a$ in a product of chain lattices is more than or equal to the codimension of the lattice. Using this we also show that the lattice varieties associated with product of chain lattices is smooth.

Mesoscopic Elastic Distortions in GaAs Quantum Dot Heterostructures.

Science.gov (United States)

Pateras, Anastasios; Park, Joonkyu; Ahn, Youngjun; Tilka, Jack A; Holt, Martin V; Reichl, Christian; Wegscheider, Werner; Baart, Timothy A; Dehollain, Juan Pablo; Mukhopadhyay, Uditendu; Vandersypen, Lieven M K; Evans, Paul G

2018-05-09

Quantum devices formed in high-electron-mobility semiconductor heterostructures provide a route through which quantum mechanical effects can be exploited on length scales accessible to lithography and integrated electronics. The electrostatic definition of quantum dots in semiconductor heterostructure devices intrinsically involves the lithographic fabrication of intricate patterns of metallic electrodes. The formation of metal/semiconductor interfaces, growth processes associated with polycrystalline metallic layers, and differential thermal expansion produce elastic distortion in the active areas of quantum devices. Understanding and controlling these distortions present a significant challenge in quantum device development. We report synchrotron X-ray nanodiffraction measurements combined with dynamical X-ray diffraction modeling that reveal lattice tilts with a depth-averaged value up to 0.04° and strain on the order of 10 -4 in the two-dimensional electron gas (2DEG) in a GaAs/AlGaAs heterostructure. Elastic distortions in GaAs/AlGaAs heterostructures modify the potential energy landscape in the 2DEG due to the generation of a deformation potential and an electric field through the piezoelectric effect. The stress induced by metal electrodes directly impacts the ability to control the positions of the potential minima where quantum dots form and the coupling between neighboring quantum dots.

First-principle calculations of the structural, elastic and bonding properties of Cs{sub 2}NaLnCl{sub 6} (Ln=La–Lu) cubic elpasolites

Energy Technology Data Exchange (ETDEWEB)

Ma, C.G.; Liu, D.X.; Feng, B.; Tian, Y.; Li, L. [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Brik, M.G., E-mail: mikhail.brik@ut.ee [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Institute of Physics, University of Tartu, Ravila 14C, Tartu 50411 (Estonia); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200 Czestochowa (Poland)

2016-01-15

For the first time the structural, elastic and bonding properties of 15 elpasolite crystals Cs{sub 2}NaLnCl{sub 6} (Ln denotes all lanthanides from La to Lu) were calculated systematically using the CRYSTAL09 program. Several trends in the variation of these properties in relation to the atomic number Z of the Ln ions were found; in particular, the lattice parameter of these compounds decreases with Z (which can lead to the increased crystal field splittings of the 5d states for the heavier Ln ions), whereas the elastic constants and Debye temperature increase. The degree of covalency of the Ln–Cl chemical bonds is increased toward the end of the lanthanide series. - Highlights: • Structural, elastic and bonding properties of 15 cubic elpasolites Cs{sub 2}NaLnCl{sub 6} (Ln=La,…,Lu) are calculated. • Relations between these quantities and Ln atomic number were found. • Possible correlation between the elastic properties and Stokes shift is proposed.

Presentation: 3D magnetic inversion by planting anomalous densities

OpenAIRE

Uieda, Leonardo; Barbosa, Valeria C. F.

2013-01-01

Slides for the presentation "3D magnetic inversion by planting anomalous densities" given at the 2013 AGU Meeting of the Americas in Cancun, Mexico.   Note: There was an error in the title of the talk. The correct title should be "3D magnetic inversion by planting anomalous magnetization"   Abstract: We present a new 3D magnetic inversion algorithm based on the computationally efficient method of planting anomalous densities. The algorithm consists of an iterative growth of the an...

Anomalous high-frequency resistivity of a plasma

International Nuclear Information System (INIS)

Kruer, W.L.; Dawson, J.M.

1971-06-01

In one- and two-dimensional computer simulations we investigate anomalous high-frequency resistivity in a plasma driven by a large electric field oscillating near the electron plasma frequency. The large field excites the oscillating two-stream and the ion-acoustic decay instabilities in agreement with the linear theory. When the ion and electron fluctuations saturate, a strong anomalous heating of the plasma sets in. This strong heating is due to an efficient coupling of the externally imposed large electric field to the plasma by ion fluctuations. We determine the anomalous collision frequency and the saturation fluctuation amplitudes as a function of the external field amplitude and frequency, and the electron-ion mass ratio. A simple nonlinear theory gives results in reasonable agreement with simulations. 24 refs., 10 figs

ε-iron nitrides: Intrinsic anomalous Hall ferromagnets

Directory of Open Access Journals (Sweden)

Guo-Ke Li

2015-02-01

Full Text Available The anomalous Hall effect in ε-iron nitrides (ε-Fe3-xN, 0 ≤ x ≤ 1 has been systematically investigated taking advantage of the fact that the exchange splitting of ε-Fe3-xN can be continuously tuned through the nitrogen concentration. It has been found that the anomalous Hall conductivity, σ x y A H , is proportional to the saturation magnetization MS, i.e., σ x y A H = S H M S , across significant variations in the saturation magnetization (96–1146 emu/cc. This relationship is in excellent agreement with the intrinsic mechanism as well as with the unified theory of AHE. Our results also demonstrate that the anomalous Hall conductivity is sensitive to the exchange splitting of the band structure.

Reactor lattice codes

International Nuclear Information System (INIS)

Kulikowska, T.

2001-01-01

The description of reactor lattice codes is carried out on the example of the WIMSD-5B code. The WIMS code in its various version is the most recognised lattice code. It is used in all parts of the world for calculations of research and power reactors. The version WIMSD-5B is distributed free of charge by NEA Data Bank. The description of its main features given in the present lecture follows the aspects defined previously for lattice calculations in the lecture on Reactor Lattice Transport Calculations. The spatial models are described, and the approach to the energy treatment is given. Finally the specific algorithm applied in fuel depletion calculations is outlined. (author)

Lattice topology dictates photon statistics.

Science.gov (United States)

Kondakci, H Esat; Abouraddy, Ayman F; Saleh, Bahaa E A

2017-08-21

Propagation of coherent light through a disordered network is accompanied by randomization and possible conversion into thermal light. Here, we show that network topology plays a decisive role in determining the statistics of the emerging field if the underlying lattice is endowed with chiral symmetry. In such lattices, eigenmode pairs come in skew-symmetric pairs with oppositely signed eigenvalues. By examining one-dimensional arrays of randomly coupled waveguides arranged on linear and ring topologies, we are led to a remarkable prediction: the field circularity and the photon statistics in ring lattices are dictated by its parity while the same quantities are insensitive to the parity of a linear lattice. For a ring lattice, adding or subtracting a single lattice site can switch the photon statistics from super-thermal to sub-thermal, or vice versa. This behavior is understood by examining the real and imaginary fields on a lattice exhibiting chiral symmetry, which form two strands that interleave along the lattice sites. These strands can be fully braided around an even-sited ring lattice thereby producing super-thermal photon statistics, while an odd-sited lattice is incommensurate with such an arrangement and the statistics become sub-thermal.

Ultrahigh lattice thermal conductivity in topological semimetal TaN caused by a large acoustic-optical gap.

Science.gov (United States)

Guo, San-Dong; Liu, Bang-Gui

2018-03-14

Topological semimetals may have potential applications such as in topological qubits, spintronics and quantum computations. Efficient heat dissipation is a key factor for the reliability and stability of topological semimetal-based nano-electronics devices, which is closely related to high thermal conductivity. In this work, the elastic properties and lattice thermal conductivity of TaN are investigated using first-principles calculations and the linearized phonon Boltzmann equation within the single-mode relaxation time approximation. According to the calculated bulk modulus, shear modulus and C 44 , TaN can be regarded as a potential incompressible and hard material. The room-temperature lattice thermal conductivity is predicted to be 838.62 [Formula: see text] along the a axis and 1080.40 [Formula: see text] along the c axis, showing very strong anisotropy. It is found that the lattice thermal conductivity of TaN is several tens of times higher than other topological semimetals, such as TaAs, MoP and ZrTe, which is due to the very longer phonon lifetimes for TaN than other topological semimetals. The very different atomic masses of Ta and N atoms lead to a very large acoustic-optical band gap, and then prohibit the scattering between acoustic and optical phonon modes, which gives rise to very long phonon lifetimes. Calculated results show that isotope scattering has little effect on lattice thermal conductivity, and that phonons with mean free paths larger than 20 (80) [Formula: see text] along the c direction at 300 K have little contribution to the total lattice thermal conductivity. This work implies that TaN-based nano-electronics devices may be more stable and reliable due to efficient heat dissipation, and motivates further experimental works to study lattice thermal conductivity of TaN.

Ultrahigh lattice thermal conductivity in topological semimetal TaN caused by a large acoustic-optical gap

Science.gov (United States)

Guo, San-Dong; Liu, Bang-Gui

2018-03-01

Topological semimetals may have potential applications such as in topological qubits, spintronics and quantum computations. Efficient heat dissipation is a key factor for the reliability and stability of topological semimetal-based nano-electronics devices, which is closely related to high thermal conductivity. In this work, the elastic properties and lattice thermal conductivity of TaN are investigated using first-principles calculations and the linearized phonon Boltzmann equation within the single-mode relaxation time approximation. According to the calculated bulk modulus, shear modulus and C 44, TaN can be regarded as a potential incompressible and hard material. The room-temperature lattice thermal conductivity is predicted to be 838.62 W~m-1~K^{-1} along the a axis and 1080.40 W~m-1~K^{-1} along the c axis, showing very strong anisotropy. It is found that the lattice thermal conductivity of TaN is several tens of times higher than other topological semimetals, such as TaAs, MoP and ZrTe, which is due to the very longer phonon lifetimes for TaN than other topological semimetals. The very different atomic masses of Ta and N atoms lead to a very large acoustic-optical band gap, and then prohibit the scattering between acoustic and optical phonon modes, which gives rise to very long phonon lifetimes. Calculated results show that isotope scattering has little effect on lattice thermal conductivity, and that phonons with mean free paths larger than 20 (80) μm along the c direction at 300 K have little contribution to the total lattice thermal conductivity. This work implies that TaN-based nano-electronics devices may be more stable and reliable due to efficient heat dissipation, and motivates further experimental works to study lattice thermal conductivity of TaN.

Critical thickness and strain relaxation in molecular beam epitaxy-grown SrTiO3 films

International Nuclear Information System (INIS)

Wang, Tianqi; Ganguly, Koustav; Marshall, Patrick; Xu, Peng; Jalan, Bharat

2013-01-01

We report on the study of the critical thickness and the strain relaxation in epitaxial SrTiO 3 film grown on (La 0.3 Sr 0.7 )(Al 0.65 Ta 0.35 )O 3 (001) (LSAT) substrate using the hybrid molecular beam epitaxy approach. No change in the film's lattice parameter (both the in-plane and the out-of-plane) was observed up to a film thickness of 180 nm, which is in sharp contrast to the theoretical critical thickness of ∼12 nm calculated using the equilibrium theory of strain relaxation. For film thicknesses greater than 180 nm, the out-of-plane lattice parameter was found to decrease hyperbolically in an excellent agreement with the relaxation via forming misfit dislocations. Possible mechanisms are discussed by which the elastic strain energy can be accommodated prior to forming misfit dislocations leading to such anomalously large critical thickness

Lattice theory for nonspecialists

International Nuclear Information System (INIS)

Hari Dass, N.D.

1984-01-01

These lectures were delivered as part of the academic training programme at the NIKHEF-H. These lectures were intended primarily for experimentalists, and theorists not specializing in lattice methods. The goal was to present the essential spirit behind the lattice approach and consequently the author has concentrated mostly on issues of principle rather than on presenting a large amount of detail. In particular, the author emphasizes the deep theoretical infra-structure that has made lattice studies meaningful. At the same time, he has avoided the use of heavy formalisms as they tend to obscure the basic issues for people trying to approach this subject for the first time. The essential ideas are illustrated with elementary soluble examples not involving complicated mathematics. The following subjects are discussed: three ways of solving the harmonic oscillator problem; latticization; gauge fields on a lattice; QCD observables; how to solve lattice theories. (Auth.)

First-principles study of crystal structure, elastic stiffness constants, piezoelectric constants, and spontaneous polarization of orthorhombic Pna21-M2O3 (M = Al, Ga, In, Sc, Y)

Science.gov (United States)

Shimada, Kazuhiro

2018-03-01

We perform first-principles calculations to investigate the crystal structure, elastic and piezoelectric properties, and spontaneous polarization of orthorhombic M2O3 (M = Al, Ga, In, Sc, Y) with Pna21 space group based on density functional theory. The lattice parameters, full elastic stiffness constants, piezoelectric stress and strain constants, and spontaneous polarization are successfully predicted. Comparison with available experimental and computational results indicates the validity of our computational results. Detailed analysis of the results clarifies the difference in the bonding character and the origin of the strong piezoelectric response and large spontaneous polarization.

Blocky inversion of multichannel elastic impedance for elastic parameters

Science.gov (United States)

Mozayan, Davoud Karami; Gholami, Ali; Siahkoohi, Hamid Reza

2018-04-01

Petrophysical description of reservoirs requires proper knowledge of elastic parameters like P- and S-wave velocities (Vp and Vs) and density (ρ), which can be retrieved from pre-stack seismic data using the concept of elastic impedance (EI). We propose an inversion algorithm which recovers elastic parameters from pre-stack seismic data in two sequential steps. In the first step, using the multichannel blind seismic inversion method (exploited recently for recovering acoustic impedance from post-stack seismic data), high-resolution blocky EI models are obtained directly from partial angle-stacks. Using an efficient total-variation (TV) regularization, each angle-stack is inverted independently in a multichannel form without prior knowledge of the corresponding wavelet. The second step involves inversion of the resulting EI models for elastic parameters. Mathematically, under some assumptions, the EI's are linearly described by the elastic parameters in the logarithm domain. Thus a linear weighted least squares inversion is employed to perform this step. Accuracy of the concept of elastic impedance in predicting reflection coefficients at low and high angles of incidence is compared with that of exact Zoeppritz elastic impedance and the role of low frequency content in the problem is discussed. The performance of the proposed inversion method is tested using synthetic 2D data sets obtained from the Marmousi model and also 2D field data sets. The results confirm the efficiency and accuracy of the proposed method for inversion of pre-stack seismic data.

Computational Elastic Knots

KAUST Repository

Zhao, Xin

2013-01-01

Elastic rods have been studied intensively since the 18th century. Even now the theory of elastic rods is still developing and enjoying popularity in computer graphics and physical-based simulation. Elastic rods also draw attention from architects

Structural, electronic, magnetic, elastic, and thermal properties of Co-based equiatomic quaternary Heusler alloys

Science.gov (United States)

Paudel, Ramesh; Zhu, Jingchuan

2018-05-01

In this research work, we have predicted the physical properties of CoFeZrGe and CoFeZrSb for the first time by utilizing first principle calculations based on density functional theory. The exchange-correlation potentials are treated within the generalized-gradient approximation of Perdew-Burke and Ernzerhof (GGA-PBE). The investigated equilibrium lattice parameters of CoFeCrSi are in agreement with available theoretical data and for CoFeZrZ(Z = Ge,Sb) are 6.0013 and 6.2546 Å respectively. The calculated magnetic moments are 1.01μB /fu , 2μB /fu and 1μB /fu for CoFeZrZ(Z = Ge, Sb and Si) respectively, and agree with the Slater-Pauling rule, Mt =Zt - 24 . The CoFeZrGe, CoFeZrSb and CoFeZrSi composites showed half-metallic behaviour with 100 % spin polarization at equilibrium lattice parameters with band gap of 0.43, 0.70 and 0.59 eV for GGA and an improved band gap of 0.86, 1.01 and 1.08 for GGA + U respectively. Elastic properties are also discussed in this paper and it is found that all the materials are mechanically stable and ductile in nature. The CoFeZrSi alloy is found to be stiffer than CoFeZrZ(Z = Ge and Sb) alloys. The Debye temperatures are predicted by using calculated elastic constants. Moreover, the volume heat capacities (Cv) are investigated by utilizing the quasi-harmonic Debye model.

MEETING: Lattice 88

Energy Technology Data Exchange (ETDEWEB)

Mackenzie, Paul

1989-03-15

The forty-year dream of understanding the properties of the strongly interacting particles from first principles is now approaching reality. Quantum chromodynamics (QCD - the field theory of the quark and gluon constituents of strongly interacting particles) was initially handicapped by the severe limitations of the conventional (perturbation) approach in this picture, but Ken Wilson's inventions of lattice gauge theory and renormalization group methods opened new doors, making calculations of masses and other particle properties possible. Lattice gauge theory became a major industry around 1980, when Monte Carlo methods were introduced, and the first prototype calculations yielded qualitatively reasonable results. The promising developments over the past year were highlighted at the 1988 Symposium on Lattice Field Theory - Lattice 88 - held at Fermilab.

MEETING: Lattice 88

International Nuclear Information System (INIS)

Mackenzie, Paul

1989-01-01

The forty-year dream of understanding the properties of the strongly interacting particles from first principles is now approaching reality. Quantum chromodynamics (QCD - the field theory of the quark and gluon constituents of strongly interacting particles) was initially handicapped by the severe limitations of the conventional (perturbation) approach in this picture, but Ken Wilson's inventions of lattice gauge theory and renormalization group methods opened new doors, making calculations of masses and other particle properties possible. Lattice gauge theory became a major industry around 1980, when Monte Carlo methods were introduced, and the first prototype calculations yielded qualitatively reasonable results. The promising developments over the past year were highlighted at the 1988 Symposium on Lattice Field Theory - Lattice 88 - held at Fermilab

Elastic Properties and the Band Gap of AlNxP1-x Semiconductor Alloy: A Comparative Study of Various Ab Initio Approaches

Directory of Open Access Journals (Sweden)

M. P. Polak

2016-01-01

Full Text Available Structural and elastic properties of AlNxP1-x, a novel semiconductor alloy, are studied from the first principles in both zinc-blende and wurtzite structures. Performances of the finite difference (FD method and the density functional perturbation theory (DFPT are tested and compared. Both of these methods are applied to two different approaches of alloy simulation, a supercell of 16 and 32 atoms (for zinc-blende and wurtzite structures, resp. and the alchemical mixing (AM method, where the pseudopotentials are mixed in an appropriate way to form an alloy. All elastic properties, including the elastic tensors, elastic moduli, Poisson’s ratio, B/G, and relaxation coefficient, as well as lattice parameters are calculated using all said methods. Conclusions about the use of the approaches investigated in this paper and about their performance are drawn. In addition, in both crystal structures, the band gap is studied in the whole composition range using the MBJLDA functional. The band gap bowings are unusually high, which confirms earlier reports.

Molecular dynamics simulation on double-elastic deformation of zigzag graphene nanoribbons at low temperature

International Nuclear Information System (INIS)

Sun, Y.J.; Huang, Y.H.; Ma, F.; Ma, D.Y.; Hu, T.W.; Xu, K.W.

2014-01-01

Highlights: • Molecular dynamics simulation was performed to study the deformation behaviors of Zigzag Graphene Nano-Ribbons (ZGNRs). • The “phase transformation” from hexagonal to quasi-rectangular and the subsequent second elastic deformation were observed. • Related thermal effects model was built to predict fracture strain of ZGNRs, and was consistent with simulation results. -- Abstract: Molecular dynamics simulation was performed to study the deformation behaviors of Zigzag Graphene Nano-Ribbons (ZGNRs) 150 Å × 150 Å in size, and double-elastic deformation was observed at temperatures lower than 90 K. Essentially, at such a low temperature, the lattice vibration was significantly weakened and thus the lifetime of C-C bonds was prolonged considerably. Moreover, it was difficult for broken bonds to accumulate and resulted in the destructive fracture of ZGNRs at low temperature. As a result, the “phase transformation” from hexagonal to quasi-rectangular and subsequently the second elastic deformation took place. However, at higher temperatures, says, 300 K, brittle fracture was observed and the fracture strength decreased with temperature, which was consistent with previously reported results. Additionally at higher strain rate, the atoms could not respond to the external loading in time, the fracture strain and fracture strength were enhanced

'Complexity' and anomalous transport in space plasmas

International Nuclear Information System (INIS)

Chang, Tom; Wu Chengchin

2002-01-01

'Complexity' has become a hot topic in nearly every field of modern physics. Space plasma is of no exception. In this paper, it is demonstrated that the sporadic and localized interactions of magnetic coherent structures are the origin of 'complexity' in space plasmas. The intermittent localized interactions, which generate the anomalous diffusion, transport, and evolution of the macroscopic state variables of the overall dynamical system, may be modeled by a triggered (fast) localized chaotic growth equation of a set of relevant order parameters. Such processes would generally pave the way for the global system to evolve into a 'complex' state of long-ranged interactions of fluctuations, displaying the phenomenon of forced and/or self-organized criticality. An example of such type of anomalous transport and evolution in a sheared magnetic field is provided via two-dimensional magnetohydrodynamic simulations. The coarse-grained dissipation due to the intermittent triggered interactions among the magnetic coherent structures induces a 'fluctuation-induced nonlinear instability' that reconfigures the sheared magnetic field into an X-point magnetic geometry (in the mean field sense), leading to the anomalous acceleration of the magnetic coherent structures. A phenomenon akin to such type of anomalous transport and acceleration, the so-called bursty bulk flows, has been commonly observed in the plasma sheet of the Earth's magnetotail

Phase stability and elastic properties of Cr-V alloys

Science.gov (United States)

Gao, M. C.; Suzuki, Y.; Schweiger, H.; Doǧan, Ö. N.; Hawk, J.; Widom, M.

2013-02-01

V is the only element in the periodic table that forms a complete solid solution with Cr and thus is particularly important in alloying strategy to ductilize Cr. This study combines first-principles density functional theory calculations and experiments to investigate the phase stability and elastic properties of Cr-V binary alloys. The cluster expansion study reveals the formation of various ordered compounds at low temperatures that were not previously known. These compounds become unstable due to the configurational entropy of bcc solid solution as the temperature is increased. The elastic constants of ordered and disordered compounds are calculated at both T = 0 K and finite temperatures. The overall trends in elastic properties are in agreement with measurements using the resonant ultrasound spectroscopy method. The calculations predict that addition of V to Cr decreases both the bulk modulus and the shear modulus, and enhances the Poisson’s ratio, in agreement with experiments. Decrease in the bulk modulus is correlated to decrease in the valence electron density and increase in the lattice constant. An enhanced Poisson’s ratio for bcc Cr-V alloys (compared to pure Cr) is associated with an increased density of states at the Fermi level. Furthermore, the difference charge density in the bonding region in the (110) slip plane is highest for pure Cr and decreases gradually as V is added. The present calculation also predicts a negative Cauchy pressure for pure Cr, and it becomes positive upon alloying with V. The intrinsic ductilizing effect from V may contribute, at least partially, to the experimentally observed ductilizing phenomenon in the literature.

Phase stability and elastic properties of Cr-V alloys

Energy Technology Data Exchange (ETDEWEB)

Gao, M C; Suzuki, Y; Schweiger, H; Doğan, Ö N; Hawk, J; Widom, M

2013-01-23

V is the only element in the periodic table that forms a complete solid solution with Cr and thus is particularly important in alloying strategy to ductilize Cr. This study combines first-principles density functional theory calculations and experiments to investigate the phase stability and elastic properties of Cr–V binary alloys. The cluster expansion study reveals the formation of various ordered compounds at low temperatures that were not previously known. These compounds become unstable due to the configurational entropy of bcc solid solution as the temperature is increased. The elastic constants of ordered and disordered compounds are calculated at both T = 0 K and finite temperatures. The overall trends in elastic properties are in agreement with measurements using the resonant ultrasound spectroscopy method. The calculations predict that addition of V to Cr decreases both the bulk modulus and the shear modulus, and enhances the Poisson’s ratio, in agreement with experiments. Decrease in the bulk modulus is correlated to decrease in the valence electron density and increase in the lattice constant. An enhanced Poisson’s ratio for bcc Cr–V alloys (compared to pure Cr) is associated with an increased density of states at the Fermi level. Furthermore, the difference charge density in the bonding region in the (110) slip plane is highest for pure Cr and decreases gradually as V is added. The present calculation also predicts a negative Cauchy pressure for pure Cr, and it becomes positive upon alloying with V. The intrinsic ductilizing effect from V may contribute, at least partially, to the experimentally observed ductilizing phenomenon in the literature.

Anomalous magnetohydrodynamics in the extreme relativistic domain

CERN Document Server

Giovannini, Massimo

2016-01-01

The evolution equations of anomalous magnetohydrodynamics are derived in the extreme relativistic regime and contrasted with the treatment of hydromagnetic nonlinearities pioneered by Lichnerowicz in the absence of anomalous currents. In particular we explore the situation where the conventional vector currents are complemented by the axial-vector currents arising either from the pseudo Nambu-Goldstone bosons of a spontaneously broken symmetry or because of finite fermionic density effects. After expanding the generally covariant equations in inverse powers of the conductivity, the relativistic analog of the magnetic diffusivity equation is derived in the presence of vortical and magnetic currents. While the anomalous contributions are generally suppressed by the diffusivity, they are shown to disappear in the perfectly conducting limit. When the flow is irrotational, boost-invariant and with vanishing four-acceleration the corresponding evolution equations are explicitly integrated so that the various physic...

Total least squares for anomalous change detection

Science.gov (United States)

Theiler, James; Matsekh, Anna M.

2010-04-01

A family of subtraction-based anomalous change detection algorithms is derived from a total least squares (TLSQ) framework. This provides an alternative to the well-known chronochrome algorithm, which is derived from ordinary least squares. In both cases, the most anomalous changes are identified with the pixels that exhibit the largest residuals with respect to the regression of the two images against each other. The family of TLSQbased anomalous change detectors is shown to be equivalent to the subspace RX formulation for straight anomaly detection, but applied to the stacked space. However, this family is not invariant to linear coordinate transforms. On the other hand, whitened TLSQ is coordinate invariant, and special cases of it are equivalent to canonical correlation analysis and optimized covariance equalization. What whitened TLSQ offers is a generalization of these algorithms with the potential for better performance.

chi2 analyses of data on relativistic anomalous projectile fragments

International Nuclear Information System (INIS)

MacGregor, M.H.

1983-01-01

Nuclear emulsion data from four experimental groups are now available on the interactions of p relativistic anomalous projectile fragments. In the present paper we systematically combine these data together to form several different data sets, which are used to carry out a series of chi 2 parameter studies. The anomalous particle fragment component in the relativistic nuclear beam has been characterized previously in terms of the parameters f and lambda, where f is the anomalous particle fragment fraction in the secondary beam and lambda is the average anomalous particle fragment mean free path in the emulsion. We extend this result here by setting lambda = lambda 0 (2Z)/sup -beta/, where Z is the nuclear charge of the anomalous particle fragment, so that we can investigate the Z dependence of lambda. We also investigate isotopic effects in the equations used to describe ''normal'' secondary beam nuclei, and we examine the problem of optimizing the bin sizes used to represent the data. A series of (f,lambda 0 ,#betta#) parameter studies leads to the conclusion that the ''anomalous particle fragment effect'' exists for all Z values in the range Z = 3--26 included in the chi 2 analyses. These chi 2 analyses also indicate that #betta#>0, so that the anomalous particle fragment lambda's are Z dependent, but the data are not sufficient to pin down a definite value of #betta#. In order to assess the physical content of these results, we define a domain within which nuclear mean free paths can be accounted for by conventional nuclear forces (but not necessarily by conventional nuclear structure). The Z-dependent anomalous particle fragment mean free paths lie approximately on the boundary of this domain

Fully interferometric controllable anomalous refraction efficiency using cross modulation with plasmonic metasurfaces.

Science.gov (United States)

Liu, Zhaocheng; Chen, Shuqi; Li, Jianxiong; Cheng, Hua; Li, Zhancheng; Liu, Wenwei; Yu, Ping; Xia, Ji; Tian, Jianguo

2014-12-01

We present a method of fully interferometric, controllable anomalous refraction efficiency by introducing cross-modulated incident light based on plasmonic metasurfaces. Theoretical analyses and numerical simulations indicate that the anomalous and ordinary refracted beams generated from two opposite-helicity incident beams and following the generalized Snell's law will have a superposition for certain incident angles, and the anomalous refraction efficiency can be dynamically controlled by changing the relative phase of the incident sources. As the incident wavelength nears the resonant wavelength of the plasmonic metasurfaces, two equal-amplitude incident beams with opposite helicity can be used to control the anomalous refraction efficiency. Otherwise, two unequal-amplitude incident beams with opposite helicity can be used to fully control the anomalous refraction efficiency. This Letter may offer a further step in the development of controllable anomalous refraction.

Four-fermi anomalous dimension with adjoint fermions

CERN Document Server

Del Debbio, Luigi; Ruano, Carlos Pena

2014-01-01

The four-fermi interaction can play an important role in models of strong dynamical EW sym- metry breaking if the anomalous dimensions of the four-fermi operators become large in the IR. We discuss a number of issues that are relevant for the nonperturbative computation of the four- fermi anomalous dimensions for the SU(2) gauge theory with two flavors of Dirac fermions in the adjoint representation, using a Schrödinger functional formalism.

Density of states model for the lattice transformation in A-15 compounds

International Nuclear Information System (INIS)

Pietrass, B.; Handstein, A.; Behr, G.

1980-01-01

The cubic-tetragonal lattice transformation in A-15 compounds is described by an empirical model in which the density of states function near the Fermi energy is characterized by a two-parametric peak in addition to the constant part. Two types of peak splitting under tetragonal deformation are considered, leading to qualitatively different results about the phase transition. Results are given for the order parameter, the phase stability, the soft elastic modulus, and the paramagnetic spin susceptibility. Comparing with measurements of the magnetic susceptibility of V 3 Si single crystals near the phase transition a better agreement is obtained for a twofold degenerate density of states peak than for a threefold degenerate one. (author)

Quantum anomalous Bloch-Siegert shift in Weyl semimetal

Science.gov (United States)

Kumar, Upendra; Kumar, Vipin; Enamullah, Setlur, Girish S.

2018-05-01

A periodic exchange of energy between the light field and two level system is known as Rabi oscillations. The Bloch-Siegert shift (BSS) is a shift in Rabi oscillation resonance condition, when the driving field is sufficiently strong. There are new type of oscillations exhibit in Weyl semimetal at far from resonance, known as anomalous Rabi oscillation. In this work, we study the phenomenon of the Bloch-Siegert shift in Weyl semimetal at far from resonance called anomalous Bloch-Siegert shift (ABSS) by purely quantum mechanical treatment and describe it's anisotropic nature. A fully numerical solution of the Floquet-Bloch equations unequivocally establishes the presence of not only anomalous Rabi oscillations in these systems but also their massless character.

Partial anomalous pulmonary venous return in patients with pulmonary hypertension

International Nuclear Information System (INIS)

Sung, Won-kyung; Au, Virginia; Rose, Anand

2012-01-01

Anomalous pulmonary venous return is an uncommon congenital malformation, and may be partial or total. Partial anomalous pulmonary venous return (PAPVR) is more common than total anomalous pulmonary venous return, and is often associated with other congenital cardiac anomalies. Whilst many patients with PAPVR remain asymptomatic, some may present in later age with symptoms related to left-to-right shunt, right heart failure and pulmonary hypertension. We report two cases of PAPVR detected on Computed Tomography Pulmonary Angiogram (CTPA) for the work up of pulmonary hypertension. The cases demonstrate that, although uncommon, partial anomalous pulmonary venous return can be a contributing factor to pulmonary hypertension and pulmonary veins should be carefully examined when reading a CTPA study.

Twisted mass lattice QCD

International Nuclear Information System (INIS)

Shindler, A.

2007-07-01

I review the theoretical foundations, properties as well as the simulation results obtained so far of a variant of the Wilson lattice QCD formulation: Wilson twisted mass lattice QCD. Emphasis is put on the discretization errors and on the effects of these discretization errors on the phase structure for Wilson-like fermions in the chiral limit. The possibility to use in lattice simulations different lattice actions for sea and valence quarks to ease the renormalization patterns of phenomenologically relevant local operators, is also discussed. (orig.)

Twisted mass lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Shindler, A. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

2007-07-15

I review the theoretical foundations, properties as well as the simulation results obtained so far of a variant of the Wilson lattice QCD formulation: Wilson twisted mass lattice QCD. Emphasis is put on the discretization errors and on the effects of these discretization errors on the phase structure for Wilson-like fermions in the chiral limit. The possibility to use in lattice simulations different lattice actions for sea and valence quarks to ease the renormalization patterns of phenomenologically relevant local operators, is also discussed. (orig.)

Lattice regularized chiral perturbation theory

International Nuclear Information System (INIS)

Borasoy, Bugra; Lewis, Randy; Ouimet, Pierre-Philippe A.

2004-01-01

Chiral perturbation theory can be defined and regularized on a spacetime lattice. A few motivations are discussed here, and an explicit lattice Lagrangian is reviewed. A particular aspect of the connection between lattice chiral perturbation theory and lattice QCD is explored through a study of the Wess-Zumino-Witten term

Computational study of structural, elastic and electronic properties of lithium disilicate (Li(2)Si(2)O(5)) glass-ceramic.

Science.gov (United States)

Biskri, Zine Elabidine; Rached, Habib; Bouchear, Merzoug; Rached, Djamel

2014-04-01

The objective of this study is to investigate theoretically the structural, elastic and electronic properties of Lithium Disilicate (LD) crystal (Li2Si2O5), using the pseudo potential method based on Density Functional Theory (DFT) with the Local Density Approximation (LDA) and the Generalized Gradient Approximation (GGA). The calculated structural properties namely the equilibrium lattice parameters and cell volume are in good agreement with the available experimental results. However, for the LD crystal elastic moduli: Shear modulus G, Young's modulus E and Poisson's ratio ν we have found a discrepancy between our theoretical values and experimental ones reported in polycrystalline sample containing LD crystals. The calculated elastic properties show that LD is more rigid compared with other components. We also investigated the mechanical stability of Li2Si2O5 compound and we have noticed that this compound is stable against elastic deformations. On the basis of shear to bulk modulus ratio analysis, we inferred that Li2Si2O5 compound is brittle in nature. In order to complete the fundamental characteristics of this compound we have measured the elastic anisotropy. Our results for the energy band structure and Density of States (DOS) show that Li2Si2O5 compound has an insulator characteristic. Copyright © 2013 Elsevier Ltd. All rights reserved.

Effect of radiation induced defects and incompatibility elastic stresses on the diffusion of ion implantated boron in silicon at the pulse annealing

International Nuclear Information System (INIS)

Stel'makh, V.F.; Suprun-Belevich, Yu.R.; Chelyadinskij, A.R.

1987-01-01

For determination of radiation defects effect on diffusion of the implanted boron in silicon at the pulse annealing, silicon crystals, implanted with boron, preliminary irradiated by silicon ions of different flows for checked defects implantation, were investigated. Silicon crystals additionally implanted by Ge + ions were investigated to research the effect of the incompatibility elastic stresses, emerging in implanted structures due to lattice periods noncoincidence in matrix and alloyed layers, on implanted boron diffusion. It is shown, that abnormally high values of boron diffusion coefficients in silicon at the pulse annealing are explained by silicon interstitial atom participation in redistribution of diffusing boron atoms by two diffusion channels - interstitial and vacation - and by incompatibility elastic stresses effect on diffusion

Rationality of the anomalous dimensions in N=4 SYM theory

International Nuclear Information System (INIS)

Genovese, Luigi; Stanev, Yassen S.

2005-01-01

We reconsider the general constraints on the perturbative anomalous dimensions in conformal invariant QFT and in particular in N=4 SYM with gauge group SU(N). We show that all the perturbative corrections to the anomalous dimension of a renormalized gauge invariant local operator can be written as polynomials in its one loop anomalous dimension. In the N=4 SYM theory the coefficients of these polynomials are rational functions of the number of colours N

Supersymmetric lattices

International Nuclear Information System (INIS)

Catterall, Simon

2013-01-01

Discretization of supersymmetric theories is an old problem in lattice field theory. It has resisted solution until quite recently when new ideas drawn from orbifold constructions and topological field theory have been brought to bear on the question. The result has been the creation of a new class of lattice gauge theory in which the lattice action is invariant under one or more supersymmetries. The resultant theories are local and free of doublers and in the case of Yang-Mills theories also possess exact gauge invariance. In principle they form the basis for a truly non-perturbative definition of the continuum supersymmetric field theory. In this talk these ideas are reviewed with particular emphasis being placed on N = 4 super Yang-Mills theory.

Elastic properties and electronic structure of WS{sub 2} under pressure from first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Li, Li [Sichuan Univ., Chengdu (China). Inst. of Atomic and Molecular Physics; Civil Aviation Flight Univ. of China, Guanghan (China). Dept. of Physics; Zeng, Zhao-Yi [Chongqing Normal Univ., Chongqing (China). College of Physics and Electronic Engineering; Liang, Ting; Tang, Mei; Cheng, Yan [Sichuan Univ., Chengdu (China). Inst. of Atomic and Molecular Physics

2017-07-01

The influence of pressure on the elastic and mechanical properties of the hexagonal transition-metal dichalcogenide WS{sub 2} is investigated using the first-principles calculations. With the increase in pressure, the lattice parameters and the volume of WS{sub 2} decrease, which is exactly in agreement with the available experimental data and other calculated results. The elastic constants C{sub ij}, bulk modulus B, shear modulus G, Young's modulus E, and Poisson's ratio σ of WS{sub 2} also increase with pressure. At last, for the first time, the band gaps of energy, the partial density of states, and the total density of states under three different pressures are obtained and analysed. It is found that the band gap of WS{sub 2} decreases from 0.843 to 0 eV when the external pressure varies from 0 to 20 GPa, which implies that WS{sub 2} may transform from semiconductors to semimetal phase at a pressure about 20 GPa.

Structural, electronic and elastic properties of potassium hexatitanate crystal from first-principles calculations

International Nuclear Information System (INIS)

Hua Manyu; Li Yimin; Long Chunguang; Li Xia

2012-01-01

The structural, electronic and elastic properties of potassium hexatitanate (K 2 Ti 6 O 13 ) whisker were investigated using first-principles calculations. The calculated cell parameters of K 2 Ti 6 O 13 including lattice constants and atomic positions are in good agreement with the experimental data. The obtained formation enthalpy (-61.1535 eV/atom) and cohesive energy (-137.4502 eV/atom) are both negative, showing its high structural stability. Further analysis of the electronic structures shows that the potassium hexatitanate is a wide-band semiconductor. Within K 2 Ti 6 O 13 crystal, the Ti---O bonding interactions are stronger than that of K---O, while no apparent K---Ti bonding interactions can be observed. The structural stability of K 2 Ti 6 O 13 was closely associated with the covalent bond interactions between Ti (d) and O (p) orbits. Further calculations on elastic properties show that K 2 Ti 6 O 13 is a high stiffness and brittle material with small anisotropy in shear and compression.

Elasticity of water-saturated rocks as a function of temperature and pressure.

Science.gov (United States)

Takeuchi, S.; Simmons, G.

1973-01-01

Compressional and shear wave velocities of water-saturated rocks were measured as a function of both pressure and temperature near the melting point of ice to confining pressure of 2 kb. The pore pressure was kept at about 1 bar before the water froze. The presence of a liquid phase (rather than ice) in microcracks of about 0.3% porosity affected the compressional wave velocity by about 5% and the shear wave velocity by about 10%. The calculated effective bulk modulus of the rocks changes rapidly over a narrow range of temperature near the melting point of ice, but the effective shear modulus changes gradually over a wider range of temperature. This phenomenon, termed elastic anomaly, is attributed to the existence of liquid on the boundary between rock and ice due to local stresses and anomalous melting of ice under pressure.

The vector meson with anomalous magnetic moment

International Nuclear Information System (INIS)

Boyarkin, O.M.

1976-01-01

The possibility of introducing an anomalous magnetic moment into the Stuckelberg version of the charged vector meson theory is considered. It is shown that the interference of states with spins equal to one and zero is absent in the presence of an anomalous magnetic moment of a particle. The differential cross section of scattering on the Coulomb field of a nucleus is calculated, and so are the differential and integral cross sections of meson pair production on annihilation of two gamma quanta. The two-photon mechanism of production of a meson pair in colliding electron-positron beams is considered. It is shown that with any value of the anomalous magnetic moment the cross section of the esup(+)esup(-) → esup(+)esup(-)γsup(*)γsup(*) → esup(+)esup(-)Wsup(+)Wsup(-) reaction exceeds that of the esup(+)esup(-) → γsup(*) → Wsup(+)Wsup(-) at sufficiently high energies

The effects of degeneracy of the carrier ensemble on the energy loss rate and the high field mobility characteristics under the conditions of low lattice temperatures

International Nuclear Information System (INIS)

Basu, A.; Das, B.; Middya, T.R.; Bhattacharya, D.P.

2017-01-01

The rate of loss of energy of the non-equilibrium electrons to the acoustic mode lattice vibration in a degenerate semiconductor is obtained under the condition, when the lattice temperature is low enough, so that the traditional approximations like the elastic nature of the electron-phonon collisions and the truncation of the phonon distribution to the equipartition law are not valid any more. Using the results of the energy loss rate, the non-ohmic mobility is then calculated. Evaluating the loss rate and the non-ohmic mobility in degenerate samples of Si and Ge we find that significant changes in both the characteristics have been effected compared to that in the non-degenerate samples, in the regime of lower energy and for relatively lower fields. The effected changes are more significant the lower the lattice temperature is.

Vortex lattices in layered superconductors

International Nuclear Information System (INIS)

Prokic, V.; Davidovic, D.; Dobrosavljevic-Grujic, L.

1995-01-01

We study vortex lattices in a superconductor--normal-metal superlattice in a parallel magnetic field. Distorted lattices, resulting from the shear deformations along the layers, are found to be unstable. Under field variation, nonequilibrium configurations undergo an infinite sequence of continuous transitions, typical for soft lattices. The equilibrium vortex arrangement is always a lattice of isocell triangles, without shear

Ion anomalous transport and feedback control. Final technical report, September 1, 1987 - August 31, 1997

International Nuclear Information System (INIS)

Sen, A.K.

1998-01-01

This final report is comprised of the following six progress reports: Ion Temperature Gradient Instability and Anomalous Transport, July 1989; Ion Temperature Gradient Instability and Anomalous Transport, August 1991; Ion Temperature Gradient Instability and Anomalous Transport, July 1993; Ion Anomalous Transport and Feedback Control, May 1994; Ion Anomalous Transport and Feedback Control, April 1995; and Ion Anomalous Transport and Feedback Control, December 1997

Anomalous spreading behaviour of polyethyleneglycoldistearate ...

Indian Academy of Sciences (India)

Unknown

Anomalous behaviour; polythyleneglycoldistearate; air/water interface; ... distinguished these monolayer states in terms of molecular ordering, including the .... It has been found that the compressibilities of the materials in the condensed phase.

The buckling transition of two-dimensional elastic honeycombs: numerical simulation and Landau theory

International Nuclear Information System (INIS)

Jagla, E A

2004-01-01

I study the buckling transition under compression of a two-dimensional, hexagonal, regular elastic honeycomb. Under isotropic compression, the system buckles to a configuration consisting of a unit cell containing four of the original hexagons. This buckling pattern preserves the sixfold rotational symmetry of the original lattice but is chiral, and can be described as a combination of three different elemental distortions in directions rotated by 2π/3 from each other. Non-isotropic compression may induce patterns consisting of a single elemental distortion or a superposition of two of them. The numerical results compare very well with the outcome of a Landau theory of second-order phase transitions

Low-energy elastic-scattering of alpha particles from [sup 34]S, [sup 50]Cr and [sup 62]Ni

Energy Technology Data Exchange (ETDEWEB)

Bredbacka, AA. (Department of Physics, AAbo Akademi, 20500 AAbo (Finland)); Brenner, M. (Department of Physics, AAbo Akademi, 20500 AAbo (Finland)); Kaellman, K.-M. (Department of Physics, AAbo Akademi, 20500 AAbo (Finland)); Manngaard, P. (Department of Physics, AAbo Akademi, 20500 AAbo (Finland)); Mate, Z. (Institute of Nuclear Research of the Hungarian Academy of Sciences, H-4001 Debrecen Pf. 51 (Hungary)); Szilagyi, S. (Institute of Nuclear Research of the Hungarian Academy of Sciences, H-4001 Debrecen Pf. 51 (Hungary)); Zolnai, L. (Institute of Nuclear Research of the Hungarian Academy of Sciences, H-4001 Debrecen Pf. 51 (Hungary))

1994-07-11

Angular distributions of elastically scattered alpha particles were measured for the [sup 34]S, [sup 50]Cr and [sup 62]Ni target nuclei in the energy range 12.8-20.0 MeV. The experimental data were analysed using the phenomenological optical model with the Saxon-Woods form factor; in the case of [sup 34]S the squared Saxon-Woods form factor was also applied. Phenomena such as the anomalous energy dependence of the potential near the Coulomb barrier, the discrete ambiguity problem, the low-mass and low-energy limit of applicability of the optical model are discussed using the real volume integral values obtained. ((orig.))

Reactor lattice codes

International Nuclear Information System (INIS)

Kulikowska, T.

1999-01-01

The present lecture has a main goal to show how the transport lattice calculations are realised in a standard computer code. This is illustrated on the example of the WIMSD code, belonging to the most popular tools for reactor calculations. Most of the approaches discussed here can be easily modified to any other lattice code. The description of the code assumes the basic knowledge of reactor lattice, on the level given in the lecture on 'Reactor lattice transport calculations'. For more advanced explanation of the WIMSD code the reader is directed to the detailed descriptions of the code cited in References. The discussion of the methods and models included in the code is followed by the generally used homogenisation procedure and several numerical examples of discrepancies in calculated multiplication factors based on different sources of library data. (author)

Effect of pressure variation on structural, elastic, mechanical, optoelectronic and thermodynamic properties of SrNaF3 fluoroperovskite

Science.gov (United States)

Erum, Nazia; Azhar Iqbal, Muhammad

2017-12-01

The effect of pressure variation on structural, electronic, elastic, mechanical, optical and thermodynamic characteristics of cubic SrNaF3 fluoroperovskite have been investigated by employing first-principles method within the framework of gradient approximation (GGA). For the total energy calculations, we have used the full-potential linearized augmented plane wave (FP-LAPW) method. Thermodynamic properties are computed in terms of quasi-harmonic Debye model. The pressure effects are determined in the range of 0-25 GPa, in which mechanical stability of SrNaF3 fluoroperovskite remains valid. A prominent decrease in lattice constant and bonds length is observed with the increase in pressure from 0 to 25 GPa. The effect of increase in pressure on band structure calculations with GGA and GGA plus Tran-Blaha modified Becke-Johnson (TB-mBJ) potential reveals a predominant characteristic associated with widening of bandgap. The influence of pressure on set of isotropic elastic parameters and their related properties are numerically estimated for SrNaF3 polycrystalline aggregate. Apart of linear dependence of elastic coefficients, transition from brittle to ductile behavior is observed as pressure is increased from 0 to 25 GPa. We have successfully obtained variation of lattice constant, volume expansion, bulk modulus, Debye temperature and specific heat capacities with pressure and temperature in the range of 0-25 GPa and 0-600 K. All the calculated optical properties such as the complex dielectric function ɛ(ω), optical conductivity σ(ω), energy loss function L(ω), absorption coefficient α(w), refractive index n(ω), reflectivity R(ω), and effective number of electrons n eff, via sum rules shift towards the higher energies under the application of pressure.

Neoclassical and anomalous transport in toroidal plasmas with drift-ordered turbulence

International Nuclear Information System (INIS)

Sugama, H.; Horton, W.

1996-01-01

Neoclassical and anomalous transport fluxes are determined for axisymmetric toroidal plasmas with weak electromagnetic drift wave fluctuations. The neoclassical and anomalous fluxes are defined based on the ensemble-averaged kinetic equation with the statistically averaged nonlinear wave-particle interactions. The anomalous forces derived from that quasilinear term induce the anomalous particle and heat fluxes. For the microscale fluctuations k perpendicular ρ i ∼ 1 the parallel neoclassical fluxes remain invariant. For mesoscale fluctuations the mixing length fluctuation level with broken symmetry from (weak) shear flows the neoclassical banana-plateau fluxes are affected by the fluctuations through the parallel anomalous forces and the modified parallel viscosities. The entropy production rate due to the anomalous transport processes is formulated and used to identify conjugate pairs of the anomalous fluxes and forces, which are connected by the matrix with the Onsager symmetry. The proof of the Onsager symmetry is carried out by splitting the response function up into the even and odd parts under the (t, B) → (-t,-B) transformation and using the self-adjointness of the linearized Landau collision operator and the quasilinear formalism. An explicit calculation of the symmetric transport coefficients is possible when the Krook collision model replaces the Landau collision operator. The importance of low aspect ratio tokamaks and helical systems for experimental investigations of the Onsager symmetries is emphasized

Anomalous transport in tokamaks

International Nuclear Information System (INIS)

Wootton, A.J.

1989-01-01

A review is presented of what is known about anomalous transport in tokamaks. It is generally thought that this anomalous transport is the result of fluctuations in various plasma parameters. In the plasma edge detailed measurements of the quantities required to directly determine the fluctuation driven fluxes are available. The total flux of particles is well explained by the measured electrostatic fluctuation driven flux. However, a satisfactory model to explain the origin of the fluctuations has not been identified. The processes responsible for determining the edge energy flux are less clear, but electrostatic convection plays an important part. In the confinement region experimental observations are presently restricted to measurements of density and potential fluctuations and their correlations. The characteristics of the measured fluctuations are discussed and compared with the predictions of various models. Comparisons between measured particle, electron heat and ion heat fluxes, and those fluxes predicted to result from the measured fluctuations, are made. Magnetic fluctuations is discussed

Anomalous Magnetic and Electric Dipole Moments of the $\\tau$

CERN Document Server

Taylor, L

1998-01-01

This paper reviews the theoretical predictions for and the experimental measurements of the anomalous magnetic and electric dipole moments of the tau lepton. In particular, recent analyses of the e/sup +/e/sup -/ to tau /sup +/ tau /sup -/ gamma process from the L3 and OPAL collaborations are described. The most precise results, from L3, for the anomalous magnetic and electric dipole moments respectively are: a/sub tau /=0.004+or-0.027+or-0.023 and d /sub tau /=(0.0+or-1.5+or-1.3)*10/sup -16/ e.cm. (22 refs). This paper reviews the theoretical predictions for and the experimental measurements of the anomalous magnetic and electric dipole moments of the tau lepton. In particular, recent analyses of the $\\eettg$ process from the L3 and OPAL collaborations are described. The most precise results, from L3, for the anomalous magnetic and electric dipole moments respectively are: $\\atau = 0.004 10^{-16}{e{\\cdot}\\mathrm{cm}}$.

No need to replace an "anomalous" primate (Primates) with an "anomalous" bear (Carnivora, Ursidae).

Science.gov (United States)

Gutiérrez, Eliécer E; Pine, Ronald H

2015-01-01

By means of mitochondrial 12S rRNA sequencing of putative "yeti", "bigfoot", and other "anomalous primate" hair samples, a recent study concluded that two samples, presented as from the Himalayas, do not belong to an "anomalous primate", but to an unknown, anomalous type of ursid. That is, that they match 12S rRNA sequences of a fossil Polar Bear (Ursusmaritimus), but neither of modern Polar Bears, nor of Brown Bears (Ursusarctos), the closest relative of Polar Bears, and one that occurs today in the Himalayas. We have undertaken direct comparison of sequences; replication of the original comparative study; inference of phylogenetic relationships of the two samples with respect to those from all extant species of Ursidae (except for the Giant Panda, Ailuropodamelanoleuca) and two extinct Pleistocene species; and application of a non-tree-based population aggregation approach for species diagnosis and identification. Our results demonstrate that the very short fragment of the 12S rRNA gene sequenced by Sykes et al. is not sufficiently informative to support the hypotheses provided by these authors with respect to the taxonomic identity of the individuals from which these sequences were obtained. We have concluded that there is no reason to believe that the two samples came from anything other than Brown Bears. These analyses afforded an opportunity to test the monophyly of morphologically defined species and to comment on both their phylogenetic relationships and future efforts necessary to advance our understanding of ursid systematics.

Stressed-deformed state of mountain rocks in elastic stage and between elasticity

Directory of Open Access Journals (Sweden)

Samedov A.M.

2017-12-01

Full Text Available The problems of the stress-strain state of rocks in the elastic stage and beyond the elastic limits, and the ways of schematizing the tension and compression diagrams were reviewed in the article. To simplify calculations outside the elastic range, the tension (compression diagrams are usually schematized, i.e. are replaced by curved smooth lines having a fairly simple mathematical expression and at the same time well coinciding with the experimentally obtained diagrams. When diagram is to be schematized, it is necessary to take a constant temperature of superheated water steam if a rock test is planned in a relaxed form. Note that when the diagram is schematizing, the difference between the limits of proportionality and fluidity is erased. This allows the limit of proportionality to be considered the limit of fluidity. Schematicization can be carried out in the area where the tensile strength (compression is planned to be destroyed with the established weakening of rocks by exposure to water steam or chemical reagents. Samples of rocks in natural form were tested and weakened by means of superheated water steam (220 °C and more and chemical reagents for tension and compression. The data are obtained, the diagrams of deformation are constructed and schematized in the elastic stage and beyond the elastic limit. Based on the schematic diagrams of deformation, the components of stress and strain were composed in the elastic stage and beyond the elastic limit. It is established in the publication that rocks under compression and stretching deform, both within the elastic stage, and beyond the limits of elasticity. This could be seen when the samples, both in natural and in weakened state, with superheated water steam (more than 220 °C or chemical reagents were tested. In their natural form, they are mainly deformed within the elastic stage and are destroyed as a brittle material, and in a weakened form they can deform beyond the elastic stage and

Elastic-plastic collapse of super-elastic shock waves in face-centered-cubic solids

International Nuclear Information System (INIS)

Zhakhovsky, Vasily V; Demaske, Brian J; Oleynik, Ivan I; Inogamov, Nail A; White, Carter T

2014-01-01

Shock waves in the [110] and [111] directions of single-crystal Al samples were studied using molecular dynamics (MD) simulations. Piston-driven simulations were performed to investigate the split shock-wave regime. At low piston velocities, the material is compressed initially to a metastable over-compressed elastic state leading to a super-elastic single shock wave. This metastable elastic state later collapses to a plastic state resulting in the formation of a two-wave structure consisting of an elastic precursor followed by a slower plastic wave. The single two-zone elastic-plastic shock-wave regime appearing at higher piston velocities was studied using moving window MD. The plastic wave attains the same average speed as the elastic precursor to form a single two-zone shock wave. In this case, repeated collapse of the highly over-compressed elastic state near the plastic shock front produces ultrashort triangle pulses that provide the pressure support for the leading elastic precursor.

Anomalous electrodynamics of neutral pion matter in strong magnetic fields

Energy Technology Data Exchange (ETDEWEB)

Brauner, Tomáš [Department of Mathematics and Natural Sciences, University of Stavanger,N-4036 Stavanger (Norway); Kadam, Saurabh V. [Indian Institute of Science Education and Research (IISER),Pune 411008 (India)

2017-03-03

The ground state of quantum chromodynamics in sufficiently strong external magnetic fields and at moderate baryon chemical potential is a chiral soliton lattice (CSL) of neutral pions https://arxiv.org/abs/1609.05213. We investigate the interplay between the CSL structure and dynamical electromagnetic fields. Our main result is that in presence of the CSL background, the two physical photon polarizations and the neutral pion mix, giving rise to two gapped excitations and one gapless mode with a nonrelativistic dispersion relation. The nature of this mode depends on the direction of its propagation, interpolating between a circularly polarized electromagnetic wave https://www.doi.org/10.1103/PhysRevD.93.085036 and a neutral pion surface wave, which in turn arises from the spontaneously broken translation invariance. Quite remarkably, there is a neutral-pion-like mode that remains gapped even in the chiral limit, in seeming contradiction to the Goldstone theorem. Finally, we have a first look at the effect of thermal fluctuations of the CSL, showing that even the soft nonrelativistic excitation does not lead to the Landau-Peierls instability. However, it leads to an anomalous contribution to pressure that scales with temperature and magnetic field as T{sup 5/2}(B/f{sub π}){sup 3/2}.

Lattice gas cellular automata and lattice Boltzmann models an introduction

CERN Document Server

Wolf-Gladrow, Dieter A

2000-01-01

Lattice-gas cellular automata (LGCA) and lattice Boltzmann models (LBM) are relatively new and promising methods for the numerical solution of nonlinear partial differential equations. The book provides an introduction for graduate students and researchers. Working knowledge of calculus is required and experience in PDEs and fluid dynamics is recommended. Some peculiarities of cellular automata are outlined in Chapter 2. The properties of various LGCA and special coding techniques are discussed in Chapter 3. Concepts from statistical mechanics (Chapter 4) provide the necessary theoretical background for LGCA and LBM. The properties of lattice Boltzmann models and a method for their construction are presented in Chapter 5.

Navigation by anomalous random walks on complex networks.

Science.gov (United States)

Weng, Tongfeng; Zhang, Jie; Khajehnejad, Moein; Small, Michael; Zheng, Rui; Hui, Pan

2016-11-23

Anomalous random walks having long-range jumps are a critical branch of dynamical processes on networks, which can model a number of search and transport processes. However, traditional measurements based on mean first passage time are not useful as they fail to characterize the cost associated with each jump. Here we introduce a new concept of mean first traverse distance (MFTD) to characterize anomalous random walks that represents the expected traverse distance taken by walkers searching from source node to target node, and we provide a procedure for calculating the MFTD between two nodes. We use Lévy walks on networks as an example, and demonstrate that the proposed approach can unravel the interplay between diffusion dynamics of Lévy walks and the underlying network structure. Moreover, applying our framework to the famous PageRank search, we show how to inform the optimality of the PageRank search. The framework for analyzing anomalous random walks on complex networks offers a useful new paradigm to understand the dynamics of anomalous diffusion processes, and provides a unified scheme to characterize search and transport processes on networks.

Navigation by anomalous random walks on complex networks

Science.gov (United States)

Weng, Tongfeng; Zhang, Jie; Khajehnejad, Moein; Small, Michael; Zheng, Rui; Hui, Pan

2016-11-01

Anomalous random walks having long-range jumps are a critical branch of dynamical processes on networks, which can model a number of search and transport processes. However, traditional measurements based on mean first passage time are not useful as they fail to characterize the cost associated with each jump. Here we introduce a new concept of mean first traverse distance (MFTD) to characterize anomalous random walks that represents the expected traverse distance taken by walkers searching from source node to target node, and we provide a procedure for calculating the MFTD between two nodes. We use Lévy walks on networks as an example, and demonstrate that the proposed approach can unravel the interplay between diffusion dynamics of Lévy walks and the underlying network structure. Moreover, applying our framework to the famous PageRank search, we show how to inform the optimality of the PageRank search. The framework for analyzing anomalous random walks on complex networks offers a useful new paradigm to understand the dynamics of anomalous diffusion processes, and provides a unified scheme to characterize search and transport processes on networks.

Partial anomalous pulmonary venous return in Turner syndrome.

Science.gov (United States)

van den Hoven, Allard T; Chelu, Raluca G; Duijnhouwer, Anthonie L; Demulier, Laurent; Devos, Daniel; Nieman, Koen; Witsenburg, Maarten; van den Bosch, Annemien E; Loeys, Bart L; van Hagen, Iris M; Roos-Hesselink, Jolien W

2017-10-01

The aim of this study is to describe the prevalence, anatomy, associations and clinical impact of partial anomalous pulmonary venous return in patients with Turner syndrome. All Turner patients who presented at our Turner clinic, between January 2007 and October 2015 were included in this study and underwent ECG, echocardiography and advanced imaging such as cardiac magnetic resonance or computed tomography as part of their regular clinical workup. All imaging was re-evaluated and detailed anatomy was described. Partial anomalous pulmonary venous return was diagnosed in 24 (25%) out of 96 Turner patients included and 14 (58%) of these 24 partial anomalous pulmonary venous return had not been reported previously. Right atrial or ventricular dilatation was present in 11 (46%) of 24 partial anomalous pulmonary venous return patients. When studied with advanced imaging modalities and looked for with specific attention, PAPVR is found in 1 out of 4 Turner patients. Half of these patients had right atrial and/or ventricular dilatation. Evaluation of pulmonary venous return should be included in the standard protocol in all Turner patients. Copyright © 2017. Published by Elsevier B.V.

Nonlinear elastic longitudinal strain-wave propagation in a plate with nonequilibrium laser-generated point defects

International Nuclear Information System (INIS)

Mirzade, Fikret Kh.

2005-01-01

The propagation of longitudinal strain wave in a plate with quadratic nonlinearity of elastic continuum was studied in the context of a model that takes into account the joint dynamics of elastic displacements in the medium and the concentration of the nonequilibrium laser-induced point defects. The input equations of the problem are reformulated in terms of only the total displacements of the medium points. In this case, the presence of structural defects manifests itself in the emergence of a delayed response of the system to the propagation of the strain-related perturbations, which is characteristic of media with relaxation or memory. The model equations describing the nonlinear displacement wave were derived with allowance made for the values of the relaxation parameter. The influence of the generation and relaxation of lattice defects on the propagation of this wave was analyzed. It is shown that, for short relaxation times of defects, the strain can propagate in the form of shock fronts. In the case of longer relaxation times, shock waves do not form and the strain wave propagates only in the form of solitary waves or a train of solitons. The contributions of the finiteness of the defect-recombination rate to linear and nonlinear elastic modulus, and spatial dispersion are determined

Temperature dependent anomalous statistics

International Nuclear Information System (INIS)

Das, A.; Panda, S.

1991-07-01

We show that the anomalous statistics which arises in 2 + 1 dimensional Chern-Simons gauge theories can become temperature dependent in the most natural way. We analyze and show that a statistic's changing phase transition can happen in these theories only as T → ∞. (author). 14 refs

Elastic scattering and quasi-elastic transfers

International Nuclear Information System (INIS)