WorldWideScience

Sample records for bcc lattices

  1. Towards an unbiased comparison of CC, BCC, and FCC lattices in terms of prealiasing

    KAUST Repository

    Vad, Viktor

    2014-06-01

    In the literature on optimal regular volume sampling, the Body-Centered Cubic (BCC) lattice has been proven to be optimal for sampling spherically band-limited signals above the Nyquist limit. On the other hand, if the sampling frequency is below the Nyquist limit, the Face-Centered Cubic (FCC) lattice was demonstrated to be optimal in reducing the prealiasing effect. In this paper, we confirm that the FCC lattice is indeed optimal in this sense in a certain interval of the sampling frequency. By theoretically estimating the prealiasing error in a realistic range of the sampling frequency, we show that in other frequency intervals, the BCC lattice and even the traditional Cartesian Cubic (CC) lattice are expected to minimize the prealiasing. The BCC lattice is superior over the FCC lattice if the sampling frequency is not significantly below the Nyquist limit. Interestingly, if the original signal is drastically undersampled, the CC lattice is expected to provide the lowest prealiasing error. Additionally, we give a comprehensible clarification that the sampling efficiency of the FCC lattice is lower than that of the BCC lattice. Although this is a well-known fact, the exact percentage has been erroneously reported in the literature. Furthermore, for the sake of an unbiased comparison, we propose to rotate the Marschner-Lobb test signal such that an undue advantage is not given to either lattice. © 2014 The Eurographics Association and John Wiley & Sons Ltd. Published by John Wiley & Sons Ltd.

  2. Lattice dynamics and thermodynamics of bcc iron at pressure: first-principles linear response study

    OpenAIRE

    Sha, Xianwei; Cohen, R. E.

    2005-01-01

    We compute the lattice-dynamical and thermal equation of state properties of ferromagnetic bcc iron using the first principles linear response linear-muffin-tin-orbital method in the generalized-gradient approximation. The calculated phonon dispersion and phonon density of states, both at ambient and high pressures, show good agreement with inelastic neutron scattering data. We find the free energy as a function of volume and temperature, including both electronic excitations and phonon contr...

  3. Ab-initio study of high temperature lattice dynamics of BCC zirconium (β-Zr) and uranium (γ-U)

    Energy Technology Data Exchange (ETDEWEB)

    Ghosh, Partha S., E-mail: parthasarathi13@gmail.com; Arya, A., E-mail: parthasarathi13@gmail.com; Dey, G. K., E-mail: parthasarathi13@gmail.com [Materials Science Division, Bhabha Atomic Research Centre, Mumbai-400085 (India)

    2014-04-24

    Using self consistent ab-initio lattice dynamics calculations, we show that bcc structures of Zr and U phases become stable at high temperature by phonon-phonon interactions. The calculated temperature dependent phonon dispersion curve (PDC) of β-Zr match excellently with experimental PDC. But the calculated PDC for γ-U shows negative phonon frequencies even at solid to liquid transition temperature. We show that this discrepancy is due to an overestimation of instability depth of bcc U phase which is removed by incorporation of spin-orbit coupling in the electronic structure calculations.

  4. Lattice defects in V–Ti BCC alloys before and after hydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Matsuda, Junko, E-mail: junko.matsuda@i2cner.kyushu-u.ac.jp [International Institute for Carbon-Neutral Energy Research (WPI-I2CNER), Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395 (Japan); Akiba, Etsuo [International Institute for Carbon-Neutral Energy Research (WPI-I2CNER), Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395 (Japan); Department of Mechanical Engineering, Faculty of Engineering, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395 (Japan)

    2013-12-25

    Highlights: •Strain contrast with spacing smaller than 20 nm is observed in as-cast and hydrogenated V–Ti alloys. •Twin boundaries and stacking faults are introduced into the V–Ti alloys after hydrogenation. •These planar defects are formed due to accommodation of shear stress during hydrogenation. •Densities of twin boundaries are higher in the alloys with smaller contents of V. •Effective absorbing capacities at ambient condition depend on the densities of twin boundaries. -- Abstract: Microstructures of V–Ti BCC alloys before and after hydrogenation/dehydrogenation are investigated using transmission electron microscopy. Strain contrast with spacing smaller than 20 nm is observed both in the as-cast alloys and hydrogenated alloys. Twin boundaries and stacking faults with spacing of 5–20 nm are introduced into the V–Ti BCC alloys after hydrogenation. These are parallel to {11"¯1} planes of FCC hydrides. The twin boundaries and stacking faults are formed due to the accommodation of shear stress during hydrogenation accompanied by large anisotropic expansion along the c-axis direction in V–Ti BCC alloys. Density of twin boundaries is high in the alloys with small contents of V, which have a small effective hydrogen capacity at ambient condition. Dependence of microstructure evolution in the V–Ti alloys during hydrogenation on the V/Ti ratio is also discussed with the thermodynamic stabilities from measurements of Pressure–Composition isotherms and mechanical properties.

  5. Quantum statistics in the spin-lattice dynamics simulation of formation and migration of mono-vacancy in BCC iron

    Science.gov (United States)

    Wen, Haohua; Woo, C. H.

    2016-03-01

    Contributions from the vibrational thermodynamics of phonons and magnons in the dynamic simulations of thermally activated atomic processes in crystalline materials were considered within the framework of classical statistics in conventional studies. The neglect of quantum effects produces the wrong lattice and spin dynamics and erroneous activation characteristics, sometimes leading to the incorrect results. In this paper, we consider the formation and migration of mono-vacancy in BCC iron over a large temperature range from 10 K to 1400 K, across the ferro/paramagnetic phase boundary. Entropies and enthalpies of migration and formation are calculated using quantum heat baths based on a Bose-Einstein statistical description of thermal excitations in terms of phonons and magnons. Corrections due to the use of classical heat baths are evaluated and discussed.

  6. The anisotropic quantum spin-1/2 Heisenberg antiferromagnet in the presence of a longitudinal field on a bcc lattice

    Energy Technology Data Exchange (ETDEWEB)

    Neto, Minos A., E-mail: minos@pq.cnpq.br [Departamento de Fisica, Universidade Federal do Amazonas, 3000, Japiim, Manaus, 69077-000 AM (Brazil); Roberto Viana, J., E-mail: vianafisica@bol.com.br [Departamento de Fisica, Universidade Federal do Amazonas, 3000, Japiim, Manaus, 69077-000 AM (Brazil); Ricardo de Sousa, J., E-mail: jsousa@edu.ufam.br [Departamento de Fisica, Universidade Federal do Amazonas, 3000, Japiim, Manaus, 69077-000 AM (Brazil); National Institute of Science and Technology for Complex Systems, 3000, Japiim, Manaus, 69077-000 AM (Brazil)

    2012-08-15

    In this work we study the critical behavior of the quantum spin-1/2 anisotropic Heisenberg antiferromagnet in the presence of a longitudinal field on a body centered cubic (bcc) lattice as a function of temperature, anisotropy parameter ({Delta}) and magnetic field (H), where {Delta}=0 and 1 correspond the isotropic Heisenberg and Ising models, respectively. We use the framework of the differential operator technique in the effective-field theory with finite cluster of N=4 spins (EFT-4). The staggered m{sub s}=(m{sub A}-m{sub B})/2 and total m=(m{sub A}+m{sub B})/2 magnetizations are numerically calculated, where in the limit of m{sub s}{yields}0 the critical line T{sub N}(H,{Delta}) is obtained. The phase diagram in the T-H plane is discussed as a function of the parameter {Delta} for all values of H Element-Of [0,H{sub c}({Delta})], where H{sub c}({Delta}) correspond the critical field (T{sub N}=0). Special focus is given in the low temperature region, where a reentrant behavior is observed around of H=H{sub c}({Delta}){>=}H{sub c}({Delta}=1)=8J in the Ising limit, results in accordance with Monte Carlo simulation, and also was observed for all values of {Delta} Element-Of [0,1]. This reentrant behavior increases with increase of the anisotropy parameter {Delta}. In the limit of low field, our results for the Heisenberg limit are compared with series expansion values. - Highlights: Black-Right-Pointing-Pointer In the lat decade there has been a great interest in the physics of the quantum phase transition in spins system. Black-Right-Pointing-Pointer Effective-field theory in cluster with N=4 spins is generalized to treat the quantum spin-1/2 Heisenberg model. Black-Right-Pointing-Pointer We have obtained phase diagram at finite temperature for the quantum spin-1/2 antiferromagnet Heisenberg model as a bcc lattice.

  7. A simple method for determining the lattice parameter and chemical composition in ternary bcc-Fe rich nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Moya, Javier A., E-mail: jmoya.fi.uba@gmail.com [Grupo Interdisciplinario en Materiales-IESIING, Universidad Católica de Salta, INTECIN UBA-CONICET, Salta (Argentina); Gamarra Caramella, Soledad; Marta, Leonardo J. [Grupo Interdisciplinario en Materiales-IESIING, Universidad Católica de Salta, INTECIN UBA-CONICET, Salta (Argentina); Berejnoi, Carlos [Universidad Nacional de Salta, Facultad de Ingeniería, Salta (Argentina)

    2015-05-15

    Highlights: • A method for determining composition in ternary nanocrystals is presented. • X-ray diffraction and Mössbauer spectroscopy data were employed. • We perform theoretical charts for lattice parameter of Fe-rich ternary alloys. • A linear relationship in lattice parameter for binary alloys is evaluated. • A parabolic relationship is proposed for the Fe–Co–Si alloy. - Abstract: Charts containing lattice parameters of Fe{sub 1−x}(M,N){sub x} ternary systems with M and N = Si, Al, Ge or Co, and 0 ⩽ x ⩽ ∼0.3, were developed by implementing a linear relationship between the respective binary alloys with the same solute content of the ternary one. Charts were validated with experimental data obtained from literature. For the Fe–Co–Si system, the linear relationship does not fit the experimental data. For the other systems (except the Fe–Co–Ge one where no experimental data was found), the lineal relationship constitute a very good approximation. Using these charts and the lattice parameter data obtained from X-ray diffraction technique combining with the solute content data obtained from Mössbauer spectroscopy technique it is possible to determine the chemical composition of nanograins in soft magnetic nanocomposite materials and some examples are provided.

  8. Properties of Zr – 12.5 % Nb and Zr – 25 % Nb Alloys with hcp and bcc Lattices: ab-initio Modeling

    Directory of Open Access Journals (Sweden)

    V.O. Kharchenko

    2012-06-01

    Full Text Available Ab-initio calculations of the electronic structure for Zr – 12.5 % Nb and Zr – 25 % Nb alloys are done using density functional theory, method of linearized augmented plane-wave approximation and generalized gradient approximation. The structural and energetic properties, such as the electron densities, densities of states, energetically and X-ray spectra in the case of the hcp and bcc lattices are calculated. Optimal values for the lattice constants are found. The most favorable structure for each studied alloy is defined.

  9. Study on lattice stability in first principles of hcp-,fcc-and bcc-Sc%hcp-,fcc-和bcc-Sc晶格稳定性的第一原理研究

    Institute of Scientific and Technical Information of China (English)

    陶辉锦; 刘玲; 陈伟民; 文杰斌; 杨巧然

    2009-01-01

    分别采用第一原理总能赝势平面波的局域密度近似LDA(Local density approximation)和广义梯度近似GGA(Generalized gradient approximation)两种近似方法计算hcp-,fcc-和bcc-Sc的晶格常数、总能和态密度,并将实验值与以上两种方法以及CALPHAD方法的计算结果进行对比研究,发现采用LDA和GGA的计算结果均为△Gbcc-hcp>△Gfcc-hcp>0,与CALPHAD方法外推的结果△Gfcc-hcp>△Gbcc-hcp>0不一致.用LDA方法计算的hcp-,fcc-和bcc-Sc的晶格常数和原子体积较GGA方法的计算结果小,但总能绝对值偏大.LDA方法与GGA方法的态密度曲线形状基本一致,但LDA得到的s和p态电子占据数比GGA方法的偏小.

  10. On hyper BCC-algebras

    Directory of Open Access Journals (Sweden)

    R. A. Borzooei

    2006-01-01

    Full Text Available We study hyper BCC-algebras which are a common generalization of BCC-algebras and hyper BCK-algebras. In particular, we investigate different types of hyper BCC-ideals and describe the relationship among them. Next, we calculate all nonisomorphic 22 hyper BCC-algebras of order 3 of which only three are not hyper BCK-algebras.

  11. EXAFS STUDY OF THE SHORT RANGE STRUCTURE OF NANOCRYSTALLINE BCC-Fe80Cu20 SOLID SOLUTION

    Institute of Scientific and Technical Information of China (English)

    Y.Z. Yang; X.J. Bai; T.C. Kuang; G.M. Wang; S. Q. Wei

    2002-01-01

    The structure of bcc-Fe80 Cu2o solid solution produced by mechanical alloying of theelemental bcc-Fe and fcc-Cu powders has been studied using X-ray diffraction and theextended X-ray absorption fine structure (EXAFS) techniques. The disappearance ofelemental Fe and Cu X-ray diffraction (XRD) peaks and the presence of bcc structuralXRD peaks illustrate the formation of a nanocrystalline single-phase bcc-Fe80 Gu20solid solution. From the EXAFS results, the clear observation of Cu atoms taking onbcc coordination in the solid solution and Fe atoms remaining bcc structure furtherverifies the reality of atomic alloying between Fe and Cu atoms and the lattice changeof Cu from fcc to bcc. However, the supersaturated bcc solid solution is not chemicallyuniform, i.e., some regions are rich in Fe atoms and other regions rich in Cu atoms.

  12. Structural transformation between bcc and fcc in Fe-Ni nanoparticle during heating process

    Science.gov (United States)

    Li, Guojian; Sui, Xudong; Qin, Xuesi; Ma, Yonghui; Wang, Kai; Wang, Qiang

    2016-10-01

    Phase transformation between bcc and fcc in Fe-Ni nanoparticle has been studied by using molecular dynamics simulation with an embedded atom method. The transformation has been explored by designing the nanoparticles with different initial structures, sizes and elemental distributions at various Ni concentrations. The results show that the structural transformation is strongly related to the Ni content and elemental distribution. Initial fcc structure transforms to bcc for a lower Ni content and bcc transforms to fcc for a higher Ni content. The transformation is accompanied with a sharp reduction in energy even for the nanoparticle with a large size. Furthermore, lattice distortion first occurs before the transformation. The transformation from fcc to bcc is occurred by elongating fcc (100) to bcc (110) and that from bcc to fcc by compressing bcc (110) to fcc (100). The reason is that the nanoparticle has a low energy state for bcc structure with a lower Ni content and also for fcc structure with a higher Ni content. The coexistence of bcc and fcc phases appears with the change of elemental distribution.

  13. Atomic displacements in bcc dilute alloys

    Indian Academy of Sciences (India)

    Hitesh Sharma; S Prakash

    2007-04-01

    We present here a systematic investigation of the atomic displacements in bcc transition metal (TM) dilute alloys. We have calculated the atomic displacements in bcc (V, Cr, Fe, Nb, Mo, Ta and W) transition metals (TMs) due to 3d, 4d and 5d TMs at the substitutional site using the Kanzaki lattice static method. Wills and Harrison interatomic potential is used to calculate the atomic force constants, the dynamical matrix and the impurity-induced forces. We have thoroughly investigated the atomic displacements using impurities from 3d, 4d and 5d series in the same host metal and the same impurity in different hosts. We have observed a systematic pattern in the atomic displacements for Cr-, Fe-, Nb-, Mo-, Ta- and W-based dilute alloys. The atomic displacements are found to increase with increase in the number of d electrons for all alloys considered except for V dilute alloys. The 3d impurities are found to be more easily dissolved in the 3d host metals than 4d or 5d TMs whereas 4d and 5d impurities show more solubility in 4d and 5d TMs. In general, the relaxation energy calculation suggests that impurities may be easily solvable in 5d TM hosts when compared to 3d or 4d TMs.

  14. First-principles thermoelasticity of bcc iron under pressure

    OpenAIRE

    Sha, Xianwei; Cohen, R. E.

    2006-01-01

    We investigate the elastic and isotropic aggregate properties of ferromagnetic bcc iron as a function of temperature and pressure by computing the Helmholtz free energies for the volume-conserving strained structures using the first-principles linear response linear-muffin-tin-orbital method and the generalized-gradient approximation. We include the electronic excitation contributions to the free energy from the band structures, and phonon contributions from quasi-harmonic lattice dynamics. W...

  15. Magnetism in bcc Fe-Al alloy

    Energy Technology Data Exchange (ETDEWEB)

    Elzain, M.E. [Sultan Qaboos Univ., Al-Khod (Oman). Dept. of Phys.; Yousif, A.A. [Sultan Qaboos Univ., Al-Khod (Oman). Dept. of Phys.

    1994-11-01

    The magnetic moment {mu}, hyperfine field B{sub hf} and isomer shift IS at the Fe site in bcc Fe-Al alloys were calculated from first principle. Contrary to the belief that Al atoms reside in the iron lattice as magnetic holes, it was found that the local magnetic moment of Fe is decreased when Al is at a nearest neighbour site (NN), while it increases if Al is at a next-nearest neighbour site (NNN). Consequently, the average {mu} per Fe atom was found to be, initially, independent of Al content. Assuming a linear dependence of {mu}{sub Fe} on the number of Al atoms at NN and NNN sites, we calculated the average {mu}, which was found to agree with experimental results of cold worked alloys for disordered Fe-Al alloy. On the other hand, antiferromagnetic coupling appears in the CsCl ordered structures. The average B{sub hf} was also calculated and compared to experimental data and the trends in the IS are considered. (orig.)

  16. An alternative explanation for epitaxial growth. The case of fcc(111) on bcc(110)

    DEFF Research Database (Denmark)

    Grey, F.; Bohr, J.

    1993-01-01

    Starting from basic observations concerning commensurate structures, a simple explanation is given for the existence of energetically stable states of an fcc(111) adsorbate on a bcc(110) substrate, as a function of the mismatch and relative orientation of the two lattices. Numerical simulations...

  17. Preparation of metastable bcc permalloy epitaxial thin films on GaAs(011){sub B3} single-crystal substrates

    Energy Technology Data Exchange (ETDEWEB)

    Ohtake, Mitsuru, E-mail: ohtake@futamoto.elect.chuo-u.ac.jp [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Higuchi, Jumpei; Yabuhara, Osamu [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan); Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan)

    2011-09-30

    Permalloy (Py) single-crystal films with bcc structure were obtained on GaAs(011){sub B3} single-crystal substrates by ultra high vacuum rf magnetron sputtering. The film growth and the detailed film structures were investigated by refection high energy electron diffraction and pole figure X-ray diffraction. bcc-Py films epitaxially grow on the substrates in the orientation relationship of Py(011)[011-bar]{sub bcc} || GaAs(011)[011-bar]{sub B3}. The lattice constant of bcc-Py film is determined to be a = 0.291 nm. With increasing the film thickness, parts of the bcc crystal transform into more stable fcc structure by atomic displacement parallel to the bcc{l_brace}011{r_brace} close-packed planes. The resulting film thus consists of a mixture of bcc and fcc crystals. The phase transformation mechanism is discussed based on the experimental results. The in-plane magnetization properties reflecting the magnetocrystalline anisotropy of bcc-Py crystal are observed for the Py films grown on GaAs(011){sub B3} substrates.

  18. First-principles study of interactions between substitutional solutes in bcc iron

    Science.gov (United States)

    Gorbatov, O. I.; Delandar, A. Hosseinzadeh; Gornostyrev, Yu N.; Ruban, A. V.; Korzhavyi, P. A.

    2016-07-01

    Using density functional theory based calculations, employing the locally self-consistent Green's function method and the projected augmented wave method, we develop a database of solute-solute interactions in dilute alloys of bcc Fe. Interactions within the first three coordination shells are computed for the ferromagnetic state as well as for the paramagnetic (disordered local moment) state of the iron matrix. The contribution of lattice relaxations to the defect interaction energy is investigated in the ferromagnetic state. Implications of the obtained results for modeling the phenomena of point defect clustering and phase precipitation in bcc Fe-based alloys and steel are discussed.

  19. BCC and Childhood Low Dose Radiation

    Directory of Open Access Journals (Sweden)

    Arash Beiraghi Toosi

    2014-10-01

    Full Text Available Skin cancer is a late complication of ionizing radiation. Two skin neoplasms prominent Basal Cell Carcinoma (BCC and Squamous Cell Carcinoma (SCC are the most famous complications of radiotherapy. Basal Cell Carcinoma (BCC is the most common human malignant neoplasm. Many genetic and environmental factors are involved in its onset. BCC is observed in sun-exposed areas of skin. Some patients with scalp BCC have had a history of scalp radiation for the treatment of tinea capitis in childhood. Evidence that ionizing radiation is carcinogenic first came from past reports of nonmelanoma skin cancers on the hands of workers using radiation devices. The total dose of radiation and irradiated site exposed to sunlight can lead to a short incubation period. It is not clear whether BCC in these cases has a more aggressive nature and requires a more aggressive resection of the lesion. The aim of this review was to evaluate the differences between BCC specification and treatment results between irradiated and nonirradiated patients.

  20. Microstructural studies of hydrogen and deuterium in bcc refractory metals

    International Nuclear Information System (INIS)

    Over the past four years this research has been principally concerned with uncovering the microstructural atomic arrangements in alloys of hydrogen and deuterium with bcc refractory metals. Because these are interstitial phases in which the host metal lattice is substantially deformed by the incorporation of the H(D) atoms, there are pronounced x-ray scattering effects. X-ray diffraction has, therefore, been the main structural tool. A main objective of the project has been to determine the degree to which phase relations and solid solution properties in metal-hydride alloys depend upon the hydrogen-hydrogen interaction via the displacement field of the metal atoms. This has often included the elucidation of subtle thermodynamic properties which are revealed in structural studies

  1. Arsenic poisoning of magnetism in bcc cobalt

    Science.gov (United States)

    Singh, David J.

    1992-04-01

    Highly converged local spin-density approximation calculations are used to determine the effectiveness of As as a poisoning agent for the magnetism of bcc Co films grown on GaAs. To do this, supercell calculations of the magnetization were performed using an extension of the general potential linearized augmented plane-wave method for Co7As, Co15As, and Co31As. The effect of the nearest-neighbor relaxation around As impurities, calculated using total energy techniques, was included. It is found that substitutional As is moderately effective as a poisoning agent, each As atom contributes a moment of -3.8μB, and this may be important in explaining the discrepancy of 0.2-0.3μB between the calculated magnetization of bcc Co and the measured magnetization of bcc Co films on GaAs.

  2. Cascade morphology transition in bcc metals

    Energy Technology Data Exchange (ETDEWEB)

    Setyawan, Wahyu; Selby, A.; Juslin, Niklas; Stoller, Roger E.; Wirth, Brian D.; Kurtz, Richard J.

    2015-06-10

    Energetic atom collisions in solids induce shockwaves with complex morphologies. In this paper, we establish the existence of a morphological transition in such cascades. The order parameter of the morphology is defined as the exponent, $b$, in the defect production curve as a function of cascade energy ($N_F$$ \\sim$$E_{MD}^b$). Response of different bcc metals can be compared in a consistent energy domain when the energy is normalized by the transition energy, $\\mu$, between the high- and the low-energy regime. Using Cr, Fe, Mo and W data, an empirical formula of $\\mu$ as a function of displacement threshold energy, $E_d$, is presented for bcc metals.

  3. Cascade morphology transition in bcc metals.

    Science.gov (United States)

    Setyawan, Wahyu; Selby, Aaron P; Juslin, Niklas; Stoller, Roger E; Wirth, Brian D; Kurtz, Richard J

    2015-06-10

    Energetic atom collisions in solids induce shockwaves with complex morphologies. In this paper, we establish the existence of a morphological transition in such cascades. The order parameter of the morphology is defined as the exponent, b, in the defect production curve as a function of cascade energy (N(F) ~ E(MD)(b)). Response of different bcc metals can be compared in a consistent energy domain when the energy is normalized by the transition energy, μ, between the high- and the low-energy regime. Using Cr, Fe, Mo and W data, an empirical formula of μ as a function of displacement threshold energy, E(d), is presented for bcc metals. PMID:25985256

  4. Behaviour of bcc technical superconductors under dynamic mechanical stress

    International Nuclear Information System (INIS)

    The behavior of bcc technical superconductors NbTi, NbZr and Nb under dynamic mechanical stress was investigated using two measuring techniques. In shot-sample training experiments the load was measured at which, in wire samples with a transport current applied, normal transitions occured in succesive straining cycles. Complementary, the acoustic emission from superconductors was monitored during strain at 4.2 K. A mechanism based on the formation of a stress induced shear transformation was proposed to account for the training behavior. This partially reversible shearing of the lattice is not sufficient to furnish the required energy for transition in the normal state but it may be detected by means of acoustic emission. On the other hand, a time correlation between acoustic emission and normal transition was found although training behavior and emission responded differently to the same metallurgical treatment. The experiments strongly indicate that the mechanism directly responsible for local energy release is microyielding, induced by the shear transformation. The stress relaxation which accompanies this transformation results in an increased load on the rest of the sample cross-section. Consequently microyielding caused by the transformation could occur in that region of the sample without being detected on the stress-strain curve. This would result in a sufficient release of energy to increase the sample temperature above its critical value. (orig./HP)

  5. Shear induced order in SEP diblock copolymer micelles: multiple BCC slip systems

    Science.gov (United States)

    Torija, Maria A.; Choi, Soohyung; Bates, Frank S.; Lodge, Timothy P.

    2010-03-01

    Poly(styrene-b-ethylene-alt-propylene) (SEP) diblock copolymers are solvated by squalane leading to glassy poly(styrene) domains dispersed in a viscoelastic medium. For diblocks containing less than about 50% by weight poly(styrene) and at SEP concentrations greater than 6 w. % these mixtures self-assemble into glassy spherical microdomains that order on a body centered cubic (BCC) lattice. We have investigated how polycrystalline configurations respond to large amplitude oscillatory shear as a function of shear rate, strain amplitude and block copolymer composition. Structure was characterized by small-angle X-ray scattering measurements while simultaneously deforming the mixtures with an in-situ rheometer. All three slip systems associated with plastic deformation in BCC metals110,211,321, were identified with the x-ray beam oriented perpendicular to the shear plane. Higher shear rates and larger strain amplitudes produced more slip within the 211 system. These results represent one of the most comprehensive assessments of BCC structure in solvated copolymers and will be discussed within the context of the associated linear viscoelastic behavior.

  6. Concentration Transitions on the Crystalline Lattices

    Directory of Open Access Journals (Sweden)

    N.A. Gorenko

    2014-07-01

    Full Text Available Results of numerical modeling of dilute 2D and 3D crystalline lattices are presented. The percolation thresholds for face-centered cubic (fcc, body-centered cubic (bcc and the simple cubic (sc lattices for the first, second and third coordination spheres are obtained by means of Monte Carlo (MC method. It is shown, that the mean value of the percolation cluster density has a minimum value at the percolation threshold.

  7. The Material Orientation Relationship for the BCC-HCP Transition

    OpenAIRE

    Kashchenko, M. P.; Chashchina, V. G.

    2007-01-01

    The dynamical model of forming of martensitic crystals for the bcc-hcp transition is offered. It is shown that all macroscopic morphological characters (the habit plane, the macroshear and the orientational relationship) are expressed through elastic moduluses Cij of an initial bcc phase.

  8. Long-Lived Metastable bcc Phase during Ordering of Micelles

    Science.gov (United States)

    Bang, Joona; Lodge, Timothy P.

    2005-03-01

    We report a metastable bcc phase that intervenes between a disordered micellar suspension and an fcc crystal in a block copolymer solution. A symmetric poly(styrene-b-isoprene) diblock copolymer in the isoprene-selective solvent squalane at a volume fraction of 0.20 was investigated using small angle x-ray scattering and rheology. Upon heating, the metastable bcc phase nucleates first, and then transforms over the course of hours to the stable fcc phase. At still higher temperatures the fcc phase transforms to an equilibrium bcc phase. The metastability of the bcc phase was confirmed by oscillatory shear and annealing using small angle x-ray scattering. These results constitute an interesting experimental manifestation of Ostwald's step rule, and also support recent theory and simulation results whereby bcc nucleates more readily from a melt of spheres.

  9. Temperature dependence of enthalpies and entropies of formation and migration of mono-vacancy in BCC iron

    Science.gov (United States)

    Wen, Haohua; Woo, C. H.

    2014-12-01

    Entropies and enthalpies of vacancy formation and diffusion in BCC iron are calculated for each temperature directly from free-energies using phase-space trajectories obtained from spin-lattice dynamics simulations. Magnon contributions are found to be particularly substantial in the temperature regime near the α-β (ferro/para-magnetic) transition. Strong temperature dependence and singular behavior can be seen in this temperature regime, reflecting magnon softening effects. Temperature dependence of the lattice component in this regime is also much more significant compared to previous estimations based on Arrhenius-type fitting. Similar effects on activation processes involving other irradiation-produced defects in magnetic materials are expected.

  10. Slip transmission in bcc FeCr polycrystal

    Energy Technology Data Exchange (ETDEWEB)

    Patriarca, Luca, E-mail: luca.patriarca@polimi.it [Politecnico di Milano, Department of Mechanical Engineering, Via La Masa 34, I-20156 Milano (Italy); Abuzaid, Wael; Sehitoglu, Huseyin [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, 1206W. Green St., Urbana, IL 61801 (United States); Maier, Hans J. [Institut für Werkstoffkunde, Leibniz Universität Hannover, An der Universität 2, D-30823 Garbsen (Germany)

    2013-12-20

    Grain boundaries induce heterogeneities in the deformation response of polycrystals. Studying these local variations in response, measured through high resolution strain measurement techniques, is important and can improve our understanding of fatigue damage initiation in the vicinity of grain boundaries and material hardening. In this work, strain fields across grain boundaries were measured using advanced digital image correlation techniques. In conjunction with strain measurements, grain orientations from electron back-scattered diffraction were used to establish the dislocation reactions at each boundary, providing the corresponding residual Burgers vectors due to slip transmission across the interfaces. A close correlation was found between the magnitude of the residual Burgers vector and the local strain change across the boundary. When the residual Burgers vector magnitude (with respect to the lattice spacing) exceeds 1.0, the high strains on one side of the boundary are paired with low strains across the boundary, indicating the difficulties for slip dislocations to penetrate the grain interfaces. When the residual Burgers vector approaches zero, the strain fields vary smoothly across the boundary due to limited resistance to slip transmission. The results suggest that the residual Burgers vector magnitude, which relates to the GB (Grain Boundary) resistance to slip transmission, enables a quantitative analysis of the accumulation of strain at the microstructural level and the development of strain heterogeneities across grain boundaries. The results are presented for FeCr bcc alloy which exhibits single slip per grain making the measurements and dislocation reactions rather straightforward. The work points to the need to incorporate details of slip dislocation–grain boundary interaction (slip transmission) in modeling research.

  11. The nanostructure and hydrogenation reaction of Mg50Co50 BCC alloy prepared by ball-milling

    Science.gov (United States)

    Matsuda, J.; Shao, H.; Nakamura, Y.; Akiba, E.

    2009-05-01

    Mg50Co50 alloy before and after hydrogenation was investigated by means of transmission electron microscopy (TEM). Mg50Co50 alloy before hydrogenation was found to contain crystals not larger than 5 nm in size. Selected-area electron diffraction patterns (SAEDPs) revealed that these nanocrystals have a body-centered cubic (BCC) structure with a lattice parameter of about 0.3 nm. Distribution of Mg and Co elements in the Mg50Co50 alloy was uniform, indicated by energy dispersive x-ray spectroscopy (EDS) analysis. Crystallization and decomposition occurred in the Mg50Co50 alloy during hydrogenation. A large number of crystals larger than 10 nm were observed in the hydrogenated sample. The SAEDPs showed polycrystalline rings corresponding to the BCC phase and the Co metal phase. The existence of Mg-rich Mg-Co crystals and Co particles was also confirmed by TEM-EDS analysis.

  12. Diffusion simulation of Cr-Fe bcc systems at atomic level using a random walk algorithm

    Energy Technology Data Exchange (ETDEWEB)

    San Sebastian, I.; Aldazabal, J. [CEIT and Tecnun (University of Navarra), San Sebastian (Spain); Capdevila, C.; Garcia-Mateo, C. [MATERALIA Research Group, Department of Physical Metallurgy, Centro Nacional de Investigaciones Metalurgicas (CENIM-CSIC), Avda. Gregorio del Amo 8, 28040 Madrid (Spain)

    2008-06-15

    This paper proposes a model to simulate the diffusion of impurities in bcc atomic lattices. It works with three-dimensional volume, divided in small cubic elements (voxels), containing more than one atomic cell each. Once the domain is discretized, impurities jump from one voxel to another according to certain probability that takes into account the composition and geometry of the target voxel. In the present work, a model was applied to a prismatic volume and in order to deduce the relationship between the atomic jumping frequency and the temperature two different cases were studied. One consists of a Fe matrix with Cr impurities, and the other is based on a Cr matrix with Fe impurities. Results obtained from these simulations were compared with profiles obtained by Dictra software. Results for the atomic jumping frequencies were fitted to an Arrhenius type equation, as shown in following expressions: From these equations it is possible to obtain an activation energy for the atomic jumping phenomenon of {proportional_to}306 kJ/mol and {proportional_to}411 kJ/mol for the Fe-matrix and Cr-matrix systems, respectively. These energies match the empirical measured values for the diffusion of Cr and Fe impurities, 250 kJ/mol and 407 kJ/mol, respectively. Results obtained in this work assure that the proposed model is suitable for simulating the three-dimensional diffusion of substitutional impurities in Cr and Fe bcc systems. It could be easily expanded to other bcc matrix systems. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  13. Crystallographic Lattice Boltzmann Method.

    Science.gov (United States)

    Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh

    2016-01-01

    Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows. PMID:27251098

  14. Crystallographic Lattice Boltzmann Method

    Science.gov (United States)

    Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh

    2016-06-01

    Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows.

  15. The energetic and structural properties of bcc NiCu, FeCu alloys: a first-principles study

    OpenAIRE

    Xie, Yao-Ping; Zhao, Shi-Jin

    2011-01-01

    Using special quasirandom structures (SQS's), we perform first-principles calculations studying the metastable bcc NiCu and FeCu alloys which occur in Fe-Cu-Ni alloy steels as precipitated second phase. The mixing enthalpies, density of state, and equilibrium lattice parameters of these alloys are reported. The results show that quasi-chemical approach and vegard rule can well predict the energetic and structural properties of FeCu alloys but fail to yield that of NiCu. The reason rests with ...

  16. Theoretical elastic moduli of ferromagnetic bcc Fe alloys.

    Science.gov (United States)

    Zhang, Hualei; Punkkinen, Marko P J; Johansson, Börje; Vitos, Levente

    2010-07-14

    The polycrystalline elastic parameters of ferromagnetic Fe(1-x)M(x) (M = Al, Si, V, Cr, Mn, Co, Ni, Rh; 0 ≤ x ≤ 0.1) random alloys in the body centered cubic (bcc) crystallographic phase have been calculated using first-principles alloy theory in combination with statistical averaging methods. With a few exceptions, the agreement between the calculated and the available experimental data for the polycrystalline aggregates is satisfactory. All additions considered here decrease the bulk modulus (B) and Poisson's ratio (ν) of bcc Fe. The complex composition dependence of the C(44) single-crystal elastic constant is reflected in the polycrystalline shear modulus (G), Young's modulus (E), and Debye temperature (Θ). The polycrystalline anisotropy of bcc Fe is increased by all additions, and Al, Si, Ni, and Rh yield the largest alloying effects. PMID:21399255

  17. Molecular dynamics, spin dynamics study of phonon-magnon interactions in BCC iron

    Science.gov (United States)

    Perera, Dilina; Landau, David P.; Stocks, G. Malcolm; Nicholson, Don; Eisenbach, Markus; Yin, Junqi

    2013-03-01

    By combining an atomistic many-body potential (Finnis-Sinclair) with a classical Heisenberg-like spin Hamiltonian, we perform combined molecular and spin dynamics simulations to investigate phonon-magnon interactions in BCC iron. The coupling between atomic and spin degrees of freedom is established via a distance dependent exchange interaction derived from first principles electronic structure calculations. Coupled equations of motion are integrated using a second order Suzuki-Trotter decomposition of the exponential time evolution operator. To investigate the effect of lattice vibrations on spin wave spectrum, we calculate spin-spin and density-density dynamic structure factors S(q, ω), and compare that to the results obtained from pure spin dynamics simulations performed on a rigid lattice. In the presence of lattice vibrations, we observe an additional peak in the longitudinal spin-spin dynamic structure factor which coincides with the peak position in density-density dynanmic structure factor. Research sponsored by the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, ''Center for Defect Physics,'' an Energy Frontier Research Center

  18. Invariant line and crystallography of HCP→BCC precipitation

    Institute of Scientific and Technical Information of China (English)

    肖晓玲; 罗承萍; 刘江文

    2002-01-01

    The method of calculating the invariant line in HCP→BCC precipitation based on the invariant line strain model is described.The experimentally determined crystallographic features of the lath-shaped or needle-like precipitates formed in the HCP→BCC precipitations occurring in Mg-Al and Zr-Nb alloys were found to be in excellent agreement with the predictions from the model,thus suggesting that the model is valid for predicting the crystallography of diffusion-controlled phase transformations.

  19. Ginzburg-Landau-type multiphase field model for competing fcc and bcc nucleation.

    Science.gov (United States)

    Tóth, G I; Morris, J R; Gránásy, L

    2011-01-28

    We address crystal nucleation and fcc-bcc phase selection in alloys using a multiphase field model that relies on Ginzburg-Landau free energies of the liquid-fcc, liquid-bcc, and fcc-bcc subsystems, and determine the properties of the nuclei as a function of composition, temperature, and structure. With a realistic choice for the free energy of the fcc-bcc interface, the model predicts well the fcc-bcc phase-selection boundary in the Fe-Ni system.

  20. Structure and energetics of nanoclusters in bcc-Fe containing copper, nickel and vacancies

    Energy Technology Data Exchange (ETDEWEB)

    Al-Motasem, Ahmed Tamer; Bergner, Frank; Birkenheuer, Uwe [Institute of Safety Research (Germany); Posselt, Matthias [Institute of Ion Beam and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf (Germany)

    2011-07-01

    Reactor pressure vessel (RPV) steels consist of polycrystalline bcc-Fe containing Cu, Ni and other foreign atoms. The continuous irradiation by fast neutrons leads to supersaturation of vacancies and self-interstitials and enhances the diffusion of Cu and Ni which occurs via the vacancy mechanism. These processes favor the formation of nanoclusters consisting of vacancies, Cu and Ni. The interaction of dislocations with these precipitates is considered to be the main cause of hardening and embrittlement of the RPV steels. In order to model the evolution of the precipitates under irradiation by rate theory, the energetics and thermodynamics of the clusters must be known. These data are hardly obtainable by experiments, however, they can be provided by atomic-level computer simulations. In the present work a combination of on-lattice Monte Carlo simulations and off-lattice Molecular Dynamics calculations is employed to determine structure and energetics of the nanoclusters. The atomistic simulations show that ternary clusters exhibit a shell structure with a core consisting of vacancies followed by a shell of Cu and an outer shell of Ni. Binary vacancy-Cu and Ni-Cu clusters show a similar shell structure, whereas the atomic configuration of vacancy-Ni agglomerates is completely different.

  1. Formation of dislocation loops during He clustering in bcc Fe

    Science.gov (United States)

    Gao, N.; Van Swygenhoven, H.; Victoria, M.; Chen, J.

    2011-11-01

    The clustering of helium in bcc (body centered cubic) iron and the growth of a helium bubble are simulated at the atomistic level for the helium-rich vacancy-poor condition. It is shown that a \\frac{1}{2}\\langle 111\\rangle dislocation loop is formed as a sequential collection of crowdions, the latter being the most stable self-interstitial atom configuration in the presence of a He cluster.

  2. Formation of dislocation loops during He clustering in bcc Fe

    Energy Technology Data Exchange (ETDEWEB)

    Gao, N; Chen, J [NES-High Temperature Materials, Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Van Swygenhoven, H [NUM/ASQ-Materials Science and Simulation, Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Victoria, M, E-mail: helena.vanswygenhoven@psi.ch [Lawrence Livermore National Laboratory, PO Box 808 L-370, Livermore, CA 94550 (United States)

    2011-11-09

    The clustering of helium in bcc (body centered cubic) iron and the growth of a helium bubble are simulated at the atomistic level for the helium-rich vacancy-poor condition. It is shown that a 1/2 <111> dislocation loop is formed as a sequential collection of <111> crowdions, the latter being the most stable self-interstitial atom configuration in the presence of a He cluster. (fast track communication)

  3. Quaternionic Representations of the Pyritohedral Group, Related Polyhedra and Lattices

    OpenAIRE

    Koca, Nazife Ozdes; Koca, Mehmet; Al-Mukhaini, Aida; Al-Qanobi, Amal

    2015-01-01

    We construct the fcc (face centered cubic), bcc (body centered cubic) and sc (simple cubic) lattices as the root and the weight lattices of the affine Coxeter groups W(D3) and W(B3)=Aut(D3). The rank-3 Coxeter-Weyl groups describing the point tetrahedral symmetry and the octahedral symmetry of the cubic lattices have been constructed in terms of quaternions. Reflection planes of the Coxeter-Dynkin diagrams are identified with certain planes of the unit cube. It turns out that the pyritohedral...

  4. Magnetism in bcc and fcc Fe with carbon and manganese.

    Science.gov (United States)

    Medvedeva, N I; Van Aken, D; Medvedeva, J E

    2010-08-11

    Density functional theory calculations were performed to study the structure and magnetic properties of bcc (α) and fcc (γ) Fe with 3 at.% carbon and manganese impurities. We find that all bcc-based Fe, Fe-C and Fe-Mn-C phases exhibit a ferromagnetic (FM) ground state, while the antiferromagnetic double-layer (AFMD) state is lowest in energy within the collinear spin approach in fcc Fe, Fe-C and Fe-Mn-C phases. However, the carbon and manganese impurities affect the local magnetic interactions significantly. The states with opposite manganese magnetic moments are quasi-degenerate in bcc Fe-Mn alloy, whereas octa-site carbon stabilizes ferromagnetic coupling of the nearest manganese atom with the Fe host. We demonstrate that the antiferromagnetic (AFM) fcc Fe-C and Fe-Mn-C alloys are intrinsically inhomogeneous magnetic systems. Carbon frustrates the local magnetic order by reorientation of magnetic moments of the nearest Mn and Fe atoms, and favors their ferromagnetic coupling. The competition between ferromagnetic and antiferromagnetic Fe-Fe and Fe-Mn interactions and the local magnetovolume instability near carbon may give rise to the spin-glass-like regions observed in austenitic Fe-Mn-C alloys.

  5. Formation of bcc and fcc during the coalescence of free and supported Fe and Ni clusters.

    Science.gov (United States)

    Li, Guojian; Wang, Qiang; Sui, Xudong; Wang, Kai; Wu, Chun; He, Jicheng

    2015-09-01

    The formation of bcc and fcc during the coalescence of free and supported Fe and Ni clusters has been studied by molecular dynamics simulation using an embedded atom method. Structural evolution of the clusters, coalesced under varying temperature, Ni content and substrate conditions, was explored by interatomic energy, snapshots, pair distribution functions and bond order parameters. The results show that the formation of bcc and fcc is strongly related to Ni content, substrate and coalescence temperature. Free clusters coalesced at 1200 K form bcc at lower Ni contents with fcc forming at higher Ni concentrations and no observable coexistence of bcc and fcc. Differences in coalescence at 1000 K result from the coexistence of bcc and fcc within the Ni range of 50-70%. Free clusters supported on disordered Ni substrates were shown to transform from spherical morphology to islands of supported clusters with preferred epitaxial orientation. The Ni content required to form bcc and fcc coexistence on supported clusters at 1000 K decreased to 30-50% Ni. Free clusters possessing bcc and fcc generally stacked along the bcc (110) and fcc (111) facets, whereas supported clusters stacked along the (111) bcc and (100) fcc planes. Structural transformation was induced by clusters containing greater numbers of atoms. Spread over the substrate enhanced interatomic energy, order substrates affect the epitaxial growth direction and increase the melting points of the supported clusters. This study can be used to predict the nature of fcc and bcc formation in Fe-Ni films.

  6. A Line Generation Algorithm over 3D Body-centered Cubic Lattice

    Directory of Open Access Journals (Sweden)

    Lijun He

    2013-02-01

    Full Text Available New line generation algorithm is proposed for generating lines over 3D body-centered cubic lattice, a kind of optimal lattice in 3D space. The main contribution in this paper is employing the 3D Bresenham algorithm, a popular algorithm for generating 3D lines on a cubic lattice, to produce the BCC lattice occupied by 3D lines, with the help of the adjunct parallelepiped space, having the same center and basis vectors with the BCC lattice. The adjunct parallelepiped line is easy to generate by employing the existed 3D cubic Bresenhan algorithm. Due to the one-to-one correspondence between the parallelogram cells of parallelepiped space and the voxels of the BCC space, the 3D BCC line generation algorithm is gained. The whole procedure is characterized by a simple discriminator and a derivation for this discriminator given in the paper confirms that all calculations can be realized using only integer arithmetic which is to implement on computer.

  7. Melting of bcc Transition Metals and Icosahedral Clustering

    Energy Technology Data Exchange (ETDEWEB)

    Ross, M; Boehler, R; Japel, S

    2006-05-26

    In contrast to polyvalent metals, transition metals have low melting slopes(dT/dP) that are due to partially filled d-bands that allow for a lowering of liquid phase energy through s-d electron transfer and the formation of local structures. In the case of bcc transition metals we show the apparent discrepancy of DAC melting measurements with shock melting of Mo can be understood by reexamining the shock data for V and Ta and introducing the presence of an icosahedral short range order (ISRO) melt phase.

  8. He-induced vacancy formation in bcc Fe solid from first-principles simulation

    International Nuclear Information System (INIS)

    Using first-principles calculations, we investigated the He and H effects on vacancy formation in bcc Fe. From energetic point of view, the presence of interstitial He (H) atom reduces vacancy formation energy and single He prefers to occupy vacancy center. One monovacancy can accommodate at least 20 He (or 5 H) atoms, with He–He (H–H) distances of 1.5–1.7 Å (1.8–2.38 Å) in the Hem–vacancy (Hm–vacancy) complexes. The shorter He–He distance and larger expansion of vacancy space after multiple He insertion may account for more number of He atoms trapped in vacancy with regard to H. Moreover, second vacancy formation energy around the He–vacancy complex decreases remarkably with increasing amount of He atoms. Thus, trapping of multiple He in a Fe monovacancy can induce formation of new vacancy at nearby lattice site, and several vacancy–SIA pairs would form concurrently

  9. Microstructural studies of hydrogen and deuterium in bcc refractory metals. Progress report, 1 May 1979-31 July 1980

    International Nuclear Information System (INIS)

    Over the past four years this research has been principally concerned with uncovering the microstructural atomic arrangements in alloys of hydrogen and deuterium with bcc refractory metals. Because these are interstitial phases in which the host metal lattice is substantially deformed by the incorporation of the H(D) atoms, there are pronounced x-ray scattering effects. X-ray diffraction has, therefore, been the main structural tool. A main objective of the project has been to determine the degree to which phase relations and solid solution properties in metal-hydride alloys depend upon the hydrogen-hydrogen interaction via the displacement field of the metal atoms. This has often included the elucidation of subtle thermodynamic properties which are revealed in structural studies

  10. Strain ordering in BCC metals and the associated anelasticity

    International Nuclear Information System (INIS)

    The BCC to BCT transformation is thought to occur as a consequence of strain ordering due to the interaction between impurity interstitials. A Hamiltonian is given, which involves the interaction energies between the strain fields of the interstitials belonging to three distinct sublattices. In the BCT phase, one of the sublattices is preferentially occupied. The free energy of the system is calculated in the mean field approximation. In this, the BCC to BCT transformation is found to be a first-order transition at a temperature Tsub(p) that is proportional to the concentration of the interstitials and certain basic interaction parameters. The anelastic behaviour of the interacting interstitials is then studied in the region T > Tsub(p). From the anelastic strain, which is proportional to the order parameter associated with the phase transition, the static compliance is obtained. The latter obeys a Curie-Weiss type of law. The creep function, which determines the response to a constant applied stress, is found to exhibit viscous behaviour near Tsub(p). From the creep function, the frequency-dependent compliance and the internal friction are evaluated. The results predict a shift and a broadening of the internal friction peak as Tsub(p) is approached from above. The features show qualitative resemblance with the recent data on Ta-O. (author)

  11. Superradiance Lattice

    CERN Document Server

    Wang, Da-Wei; Zhu, Shi-Yao; Scully, Marlan O

    2014-01-01

    We show that the timed Dicke states of a collection of three-level atoms can form a tight-binding lattice in the momentum space. This lattice, coined the superradiance lattice (SL), can be constructed based on an electromagnetically induced transparency (EIT) system. For a one-dimensional SL, we need the coupling field of the EIT system to be a standing wave. The detuning between the two components of the standing wave introduces an effective electric field. The quantum behaviours of electrons in lattices, such as Bloch oscillations, Wannier-Stark ladders, Bloch band collapsing and dynamic localization can be observed in the SL. The SL can be extended to two, three and even higher dimensions where no analogous real space lattices exist and new physics are waiting to be explored.

  12. Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics

    Science.gov (United States)

    Alling, B.; Körmann, F.; Grabowski, B.; Glensk, A.; Abrikosov, I. A.; Neugebauer, J.

    2016-06-01

    We study the impact of lattice vibrations on magnetic and electronic properties of paramagnetic bcc and fcc iron at finite temperature, employing the disordered local moments molecular dynamics (DLM-MD) method. Vibrations strongly affect the distribution of local magnetic moments at finite temperature, which in turn correlates with the local atomic volumes. Without the explicit consideration of atomic vibrations, the mean local magnetic moment and mean field derived magnetic entropy of paramagnetic bcc Fe are larger compared to paramagnetic fcc Fe, which would indicate that the magnetic contribution stabilizes the bcc phase at high temperatures. In the present study we show that this assumption is not valid when the coupling between vibrations and magnetism is taken into account. At the γ -δ transition temperature (1662 K), the lattice distortions cause very similar magnetic moments of both bcc and fcc structures and hence magnetic entropy contributions. This finding can be traced back to the electronic densities of states, which also become increasingly similar between bcc and fcc Fe with increasing temperature. Given the sensitive interplay of the different physical excitation mechanisms, our results illustrate the need for an explicit consideration of vibrational disorder and its impact on electronic and magnetic properties to understand paramagnetic Fe. Furthermore, they suggest that at the γ -δ transition temperature electronic and magnetic contributions to the Gibbs free energy are extremely similar in bcc and fcc Fe.

  13. Ab initio calculations of mechanical properties of bcc W–Re–Os random alloys: effects of transmutation of W

    Science.gov (United States)

    Li, Xiaojie; Schönecker, Stephan; Li, Ruihuan; Li, Xiaoqing; Wang, Yuanyuan; Zhao, Jijun; Johansson, Börje; Vitos, Levente

    2016-07-01

    To examine the effect of neutron transmutation on tungsten as the first wall material of fusion reactors, the elastic properties of W1‑x‑y  Re x  Os y (0  ⩽  x, y  ⩽  6%) random alloys in body centered cubic (bcc) structure are investigated systematically using the all-electron exact muffin-tin orbitals (EMTO) method in combination with the coherent-potential approximation (CPA). The calculated lattice constant and elastic properties of pure W are consistent with available experiments. Both Os and Re additions reduce the lattice constant and increase the bulk modulus of W, with Os having the stronger effect. The polycrystalline shear modulus, Young’s modulus and the Debye temperature increase (decrease) with the addition of Re (Os). Except for C 11, the other elastic parameters including C 12, C 44, Cauchy pressure, Poisson ratio, B/G, increase as a function of Re and Os concentration. The variations of the latter three parameters and the trend in the ratio of cleavage energy to shear modulus for the most dominant slip system indicate that the ductility of the alloy enhances with increasing Re and Os content. The calculated elastic anisotropy of bcc W slightly increases with the concentration of both alloying elements. The estimated melting temperatures of the W–Re–Os alloy suggest that Re or Os addition will reduce the melting temperature of pure W solid. The classical Labusch–Nabarro model for solid-solution hardening predicts larger strengthening effects in W1‑y  Os y than in W1‑x  Re x . A strong correlation between C‧ and the fcc–bcc structural energy difference for W1‑x‑y  Re x  Os y is revealed demonstrating that canonical band structure dictates the alloying effect on C‧. The structural energy difference is exploited to estimate the alloying effect on the ideal tensile strength in the [0 0 1] direction.

  14. The effects of next-to-nearest-neighbour hopping on Bose–Einstein condensation in cubic lattices

    Indian Academy of Sciences (India)

    G K Chaudhary; R Ramakumar

    2010-01-01

    In this paper, we present results of our calculations on the effects of next-to-nearest-neighbour boson hopping (′) energy on Bose–Einstein condensation in cubic lattices. We consider both non-interacting and repulsively interacting bosons moving in the lowest Bloch band. The interacting bosons are studied using Bogoliubov method. We find that the Bose condensation temperature is enhanced by increasing ′ for bosons in a simple cubic (sc) lattice and decreases for bosons in body-centred cubic (bcc) and face-centred cubic (fcc) lattices. We also find that interaction-induced depletion of the condensate is reduced for bosons in an sc lattice while it is enhanced for bosons in bcc and fcc lattices.

  15. The physical and mechanical metallurgy of advanced O+BCC titanium alloys

    Science.gov (United States)

    Cowen, Christopher John

    This thesis comprises a systematic study of the microstructural evolution, phase transformation behavior, elevated-temperature creep behavior, room-temperature and elevated-temperature tensile behavior, and room-temperature fatigue behavior of advanced titanium-aluminum-niobium (Ti-Al-Nb) alloys with and without boron additions. The specific alloys studied were: Ti-5A1-45Nb (at%), Ti-15Al-33Nb (at%), Ti-15Al-33Nb-0.5B (at%), Ti-15Al-33Nb-5B (at%), Ti-21Al-29Nb (at%), Ti-22Al-26Nb (at%), and Ti-22Al-26Nb-5B (at%). The only alloy composition that had been previously studied before this thesis work began was Ti-22Al-26Nb (at%). Publication in peer-reviewed material science journals of the work performed in this thesis has made data available in the scientific literature that was previously non-existent. The knowledge gap for Ti-Al-Nb phase equilibria over the compositional range of Ti-23Al-27Nb (at%) to Ti-12Al-38Nb (at%) that existed before this work began was successfully filled. The addition of 5 at% boron to the Ti-15Al-33Nb alloy produced 5-9 volume percent boride phase needles within the microstructure. The chemical composition of the boride phase measured by electron microprobe was determined to be approximately B 2TiNb. The lattice parameters of the boride phase were simulated through density functional theory calculations by collaborators at the Air Force Research Laboratory based on the measured composition. Using the simulated lattice parameters, electron backscatter diffraction kikuchi patterns and selected area electron diffraction patterns obtained from the boride phase were successfully indexed according to the space group and site occupancies of the B27 orthorhombic crystal structure. This suggests that half the Ti (c) Wyckoff positions are occupied by Ti atoms and the other half are occupied by Nb atoms in the boride phase lattice. Creep deformation behavior is the main focus of this thesis and in particular understanding the dominant creep

  16. Cubic to tetragonal crystal lattice reconstruction during ordering or decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Cheong, Byung-kl [Carnegie-Mellon Univ., Pittsburgh, PA (United States). Dept. of Materials Science and Engineering

    1992-09-01

    This thesis studied thermodynamic stability and morphology of product phases in diffusional phase transformations involving cubic-to-tetragonal crystal lattice reconstructions. Two different kinds of diffusional transformations were examined: L1{sub 0} ordering (fcc to fct lattice change) and decomposition of off-stoichiometric B2 ordering alloys accompanying bcc to fcc Bain transformation. In the first case, Fe-45 at.% Pd alloys were studied by TEM; in the second, the Bain strain relaxation during decomposition of hyper-eutectoid Cu-9.04 wt% Be alloy was studied. CuAu and InMg were also studied.

  17. Lattice relaxations and hyperfine fields of heavy impurities in Fe

    OpenAIRE

    Korhonen, T.; Settels, A.; Papanikolaou, N.; Zeller, R.; Dederichs, P. H.

    2000-01-01

    We present first-principles calculations of the lattice relaxations and hyperfine fields of heavy impurities in bcc Fe. We consider impurities of the 5sp and 6sp series, containing the largest atoms in the periodic table. As an application we calculate the hyperfine fields of these impurities and in particular the effects of lattice relaxations on these fields. The calculations are based on a full-potential Korringa-Kohn-Rostoker Green's-function method for defects and employ the local spin-d...

  18. An Overview of BCC Climate System Model Development and Application for Climate Change Studies

    Institute of Scientific and Technical Information of China (English)

    WU Tongwen; WU Fanghua; LIU Yiming; ZHANG Fang; SHI Xueli; CHU Min; ZHANG Jie; FANG Yongjie; WANG Fang; LU Yixiong; LIU Xiangwen; SONG Lianchun; WEI Min; LIU Qianxia; ZHOU Wenyan; DONG Min; ZHAO Qigeng; JI Jinjun; Laurent LI; ZHOU Mingyu; LI Weiping; WANG Zaizhi; ZHANG Hua; XIN Xiaoge; ZHANG Yanwu; ZHANG Li; LI Jianglong

    2014-01-01

    This paper reviews recent progress in the development of the Beijing Climate Center Climate System Model (BCC-CSM) and its four component models (atmosphere, land surface, ocean, and sea ice). Two recent versions are described: BCC-CSM1.1 with coarse resolution (approximately 2.8125◦×2.8125◦) and BCC-CSM1.1(m) with moderate resolution (approximately 1.125◦×1.125◦). Both versions are fully cou-pled climate-carbon cycle models that simulate the global terrestrial and oceanic carbon cycles and include dynamic vegetation. Both models well simulate the concentration and temporal evolution of atmospheric CO2 during the 20th century with anthropogenic CO2 emissions prescribed. Simulations using these two versions of the BCC-CSM model have been contributed to the Coupled Model Intercomparison Project phase fi ve (CMIP5) in support of the Intergovernmental Panel on Climate Change (IPCC) Fifth Assessment Report (AR5). These simulations are available for use by both national and international communities for investigating global climate change and for future climate pro jections. Simulations of the 20th century climate using BCC-CSM1.1 and BCC-CSM1.1(m) are presented and validated, with particular focus on the spatial pattern and seasonal evolution of precipitation and surface air temperature on global and continental scales. Simulations of climate during the last millennium and pro jections of climate change during the next century are also presented and discussed. Both BCC-CSM1.1 and BCC-CSM1.1(m) perform well when compared with other CMIP5 models. Preliminary analyses in-dicate that the higher resolution in BCC-CSM1.1(m) improves the simulation of mean climate relative to BCC-CSM1.1, particularly on regional scales.

  19. An overview of BCC climate system model development and application for climate change studies

    Science.gov (United States)

    Wu, Tongwen; Song, Lianchun; Li, Weiping; Wang, Zaizhi; Zhang, Hua; Xin, Xiaoge; Zhang, Yanwu; Zhang, Li; Li, Jianglong; Wu, Fanghua; Liu, Yiming; Zhang, Fang; Shi, Xueli; Chu, Min; Zhang, Jie; Fang, Yongjie; Wang, Fang; Lu, Yixiong; Liu, Xiangwen; Wei, Min; Liu, Qianxia; Zhou, Wenyan; Dong, Min; Zhao, Qigeng; Ji, Jinjun; Li, Laurent; Zhou, Mingyu

    2014-02-01

    This paper reviews recent progress in the development of the Beijing Climate Center Climate System Model (BCC_CSM) and its four component models (atmosphere, land surface, ocean, and sea ice). Two recent versions are described: BCC_CSM1.1 with coarse resolution (approximately 2.8125°×2.8125°) and BCC_CSM1.1(m) with moderate resolution (approximately 1.125°×1.125°). Both versions are fully coupled climate-carbon cycle models that simulate the global terrestrial and oceanic carbon cycles and include dynamic vegetation. Both models well simulate the concentration and temporal evolution of atmospheric CO2 during the 20th century with anthropogenic CO2 emissions prescribed. Simulations using these two versions of the BCC_CSM model have been contributed to the Coupled Model Intercomparison Project phase five (CMIP5) in support of the Intergovernmental Panel on Climate Change (IPCC) Fifth Assessment Report (AR5). These simulations are available for use by both national and international communities for investigating global climate change and for future climate projections. Simulations of the 20th century climate using BCC_CSM1.1 and BCC_CSM1.1(m) are presented and validated, with particular focus on the spatial pattern and seasonal evolution of precipitation and surface air temperature on global and continental scales. Simulations of climate during the last millennium and projections of climate change during the next century are also presented and discussed. Both BCC_CSM1.1 and BCC_CSM1.1(m) perform well when compared with other CMIP5 models. Preliminary analyses indicate that the higher resolution in BCC_CSM1.1(m) improves the simulation of mean climate relative to BCC_CSM1.1, particularly on regional scales.

  20. Atomistic modeling of carbon Cottrell atmospheres in bcc iron

    Science.gov (United States)

    Veiga, R. G. A.; Perez, M.; Becquart, C. S.; Domain, C.

    2013-01-01

    Atomistic simulations with an EAM interatomic potential were used to evaluate carbon-dislocation binding energies in bcc iron. These binding energies were then used to calculate the occupation probability of interstitial sites in the vicinity of an edge and a screw dislocation. The saturation concentration due to carbon-carbon interactions was also estimated by atomistic simulations in the dislocation core and taken as an upper limit for carbon concentration in a Cottrell atmosphere. We obtained a maximum concentration of 10 ± 1 at.% C at T = 0 K within a radius of 1 nm from the dislocation lines. The spatial carbon distributions around the line defects revealed that the Cottrell atmosphere associated with an edge dislocation is denser than that around a screw dislocation, in contrast with the predictions of the classical model of Cochardt and colleagues. Moreover, the present Cottrell atmosphere model is in reasonable quantitative accord with the three-dimensional atom probe data available in the literature.

  1. Atomistic simulations for multiscale modeling in bcc metal

    Energy Technology Data Exchange (ETDEWEB)

    Belak, J.; Moriarty, J.A.; Soderlind, P.; Xu, W.; Yang, L.H.; Zhu

    1998-09-25

    Quantum-based atomistic simulations are being used to study fundamental deformation and defect properties relevant to the multiscale modeling of plasticity in bcc metals at both ambient and extreme conditions. Ab initio electronic-structure calculations on the elastic and ideal-strength properties of Ta and Mo help constrain and validate many-body interatomic potentials used to study grain boundaries and dislocations. The predicted C(capital Sigma)5 (310)[100] grain boundary structure for Mo has recently been confirmed in HREM measurements. The core structure, (small gamma) surfaces, Peierls stress, and kink-pair formation energies associated with the motion of a/2(111) screw dislocations in Ta and Mo have also been calculated. Dislocation mobility and dislocation junction formation and breaking are currently under investigation.

  2. Atomistic modeling of carbon Cottrell atmospheres in bcc iron

    International Nuclear Information System (INIS)

    Atomistic simulations with an EAM interatomic potential were used to evaluate carbon-dislocation binding energies in bcc iron. These binding energies were then used to calculate the occupation probability of interstitial sites in the vicinity of an edge and a screw dislocation. The saturation concentration due to carbon-carbon interactions was also estimated by atomistic simulations in the dislocation core and taken as an upper limit for carbon concentration in a Cottrell atmosphere. We obtained a maximum concentration of 10 ± 1 at.% C at T = 0 K within a radius of 1 nm from the dislocation lines. The spatial carbon distributions around the line defects revealed that the Cottrell atmosphere associated with an edge dislocation is denser than that around a screw dislocation, in contrast with the predictions of the classical model of Cochardt and colleagues. Moreover, the present Cottrell atmosphere model is in reasonable quantitative accord with the three-dimensional atom probe data available in the literature.

  3. Lattice QCD

    International Nuclear Information System (INIS)

    Non-perturbative phenomena are essential to understanding quantum chromodynamics (QCD), the theory of the strong interactions. The particles observed are mesons and baryons, but the fundamental fields are quarks and gluons. Most properties of the hadrons are inaccessible in perturbation theory. Aside from their mere existence, the most blatant example is the mass spectrum. The lack of an accurate, reasonably precise, calculation of the mass spectrum is a major piece of unfinished business for theoretical particle physics. In addition, a wide variety of other non-perturbative calculations in QCD are necessary to interpret ongoing experiments. For example, it is impossible to extract the Cabibbo-Kobayashi-Maskawa angles without knowing matrix elements of operators in the K, D and B mesons. Furthermore, non-perturbative analyses of quarkonia can determine the strong coupling constant with uncertainties already comparable to perturbative analyses of high-energy data. These lectures cover lattice field theory, the only general, systematic approach that can address quantitatively the non-perturbative questions raised above. Sects. 2--8 explain how to formulate quantum field theory on a lattice and why lattice field theory is theoretically well-founded. Sect. 9 sketches some analytic calculations in scalar lattice field theory. They serve as an example of how lattice field theory can contribute to particle physics without necessarily using computers. Sect. 10 turns to the most powerful tool in lattice field theory: large-scale Monte Carlo integration of the functional integral. Instead of discussing algorithms in gory detail, the general themes of computational field theory are discussed. The methods needed for spectroscopy, weak matrix elements, and the strong coupling constant are reviewed. 52 refs., 7 figs., 1 tab

  4. Isothermal compression of bcc transition metals to 100 kbar

    International Nuclear Information System (INIS)

    Pressure-volume relationships for the bcc transition metals in the groups VB (V, Nb, and Ta) and VIB (Cr, Mo, and W) were determined under hydrostatic pressure to 100 kbar at room temperature by means of x-ray diffraction, employing diamond-anvil pressure cell and the ruby (R1 line) fluorescence calibration technique. Using the measured ultrasonic K'0 values, where K0 is the bulk modulus at ambient pressure, for five metals and the deduced shock-wave K'0 value for Cr, the values of K0 for V, Nb, Ta, Mo, W, and Cr are calculated to be 1.54, 1.71, 1.94, 2.67, 3.07, and 1.93 Mbar, respectively, by least-squares fit of the experimental P-V data to the Birch-Murnaghan equation. The K0 values thus determined are in good agreement with the ultrasonic and shock-wave values for V, Nb, Ta, Mo, and W. For Cr, the K0 value (1.93 Mbar) is in agreement with the shock-wave value (1.92 Mbar) but not with the ultrasonic value (1.65 Mbar). This discrepancy can be explained in view of the paramagnetic→antiferromagnetic transition in Cr in the temperature proximity of the ultrasonic measurements (Neel temperature T/sub N/approx.311 0K at 1 bar) and by the negative pressure dependence of T/sub N/

  5. Cesium under pressure: First-principles calculation of the bcc-to-fcc phase transition

    Science.gov (United States)

    Carlesi, S.; Franchini, A.; Bortolani, V.; Martinelli, S.

    1999-05-01

    In this paper we present the ab initio calculation of the structural properties of cesium under pressure. The calculation of the total energy is done in the local-density approximation of density-functional theory, using a nonlocal pseudopotential including the nonlinear core corrections proposed by Louie et al. The calculation of the pressure-volume diagram for both bcc and fcc structures allows us to prove that the transition from bcc to fcc structure is a first-order transition.

  6. Plasticity and Failure in Nanocrystalline BCC Metals via MD Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Rudd, R E

    2010-02-12

    Advances in the ability to generate extremely high pressures in dynamic experiments such as at the National Ignition Facility has motivated the need for special materials optimized for those conditions as well as ways to probe the response of these materials as they are deformed. We need to develop a much deeper understanding of the behavior of materials subjected to high pressure, especially the effect of rate at the extremely high rates encountered in those experiments. Here we use large-scale molecular dynamics (MD) simulations of the high-rate deformation of nanocrystalline tantalum at pressures less than 100 GPa to investigate the processes associated with plastic deformation for strains up to 100%. We focus on 3D polycrystalline systems with typical grain sizes of 10-20 nm. We also study a rapidly quenched liquid (amorphous solid) tantalum. We apply a constant volume (isochoric), constant temperature (isothermal) shear deformation over a range of strain rates, and compute the resulting stress-strain curves to large strains for both uniaxial and biaxial compression. We study the rate dependence and identify plastic deformation mechanisms. The identification of the mechanisms is facilitated through a novel technique that computes the local grain orientation, returning it as a quaternion for each atom. This analysis technique is robust and fast, and has been used to compute the orientations on the fly during our parallel MD simulations on supercomputers. We find both dislocation and twinning processes are important, and they interact in the weak strain hardening in these extremely fine-grained microstructures. We also present some results on void growth in nanocrystalline BCC metals under tension.

  7. Coulomb crystals in the harmonic lattice approximation

    CERN Document Server

    Baiko, D A; De Witt, H E; Slattery, W L

    2000-01-01

    The dynamic structure factor ${\\tilde S}({\\bf k},\\omega)$ and the two-particle distribution function $g({\\bf r},t)$ of ions in a Coulomb crystal are obtained in a closed analytic form using the harmonic lattice (HL) approximation which takes into account all processes of multi-phonon excitation and absorption. The static radial two-particle distribution function $g(r)$ is calculated for classical ($T \\gtrsim \\hbar \\omega_p$, where $\\omega_p$ is the ion plasma frequency) and quantum ($T \\ll \\hbar \\omega_p$) body-centered cubic (bcc) crystals. The results for the classical crystal are in a very good agreement with extensive Monte Carlo (MC) calculations at $1.5 \\lesssim r/a calculated for classical and quantum bcc and face-centered cubic crystals, and anharmonic corrections are discussed. The inelastic part of the HL static structure factor $S''(k)$, averaged over orientations of wave-vector {\\bf k}, is shown to contain pronounced singularities at Bragg diffraction positions. The type of the singularities is di...

  8. Lattice location of O18 in ion implanted Fe crystals by Rutherford backscattering spectrometry, channeling and nuclear reaction analysis

    Science.gov (United States)

    Vairavel, Mathayan; Sundaravel, Balakrishnan; Panigrahi, Binaykumar

    2016-09-01

    There are contradictory theoretical predictions of lattice location of oxygen interstitial atom at tetrahedral and octahedral interstices in bcc Fe. For validating these predictions, 300 keV O18 ions with fluence of 5 × 1015 ions/cm2 are implanted into bcc Fe single crystals at room temperature and annealed at 400 °C. The Rutherford backscattering spectrometry (RBS) and nuclear reaction analysis (NRA)/channeling measurements are carried out with 850 keV protons. The lattice location of implanted O18 is analysed using the α-particles yield from O18(p,α)N15 nuclear reaction. The tilt angular scans of α-particle yield along and axial directions are performed at room temperature. Lattice location of O18 is found to be at tetrahedral interstitial site by comparing the experimental scan with simulated scans using FLUX7 software.

  9. Modeling of the magnetic free energy of self-diffusion in bcc Fe

    Science.gov (United States)

    Sandberg, N.; Chang, Z.; Messina, L.; Olsson, P.; Korzhavyi, P.

    2015-11-01

    A first-principles based approach to calculating self-diffusion rates in bcc Fe is discussed with particular focus on the magnetic free energy associated with diffusion activation. First, the enthalpies and entropies of vacancy formation and migration in ferromagnetic bcc Fe are calculated from standard density functional theory methods in combination with transition state theory. Next, the shift in diffusion activation energy when going from the ferromagnetic to the paramagnetic state is estimated by averaging over random spin states. Classical and quantum mechanical Monte Carlo simulations within the Heisenberg model are used to study the effect of spin disordering on the vacancy formation and migration free energy. Finally, a quasiempirical model of the magnetic contribution to the diffusion activation free energy is applied in order to connect the current first-principles results to experimental data. The importance of the zero-point magnon energy in modeling of diffusion in bcc Fe is stressed.

  10. On the stability of rhenium up to 1 TPa pressure against transition to the bcc structure

    Indian Academy of Sciences (India)

    A K Verma; P Ravindran; R S Rao; B K Godwal; R Jeanloz

    2003-01-01

    We have carried out electronic structure total energy calculations on rhenium in the hexagonal close packed (hcp) and body centred cubic (bcc) phases, by the full potential linear muffin–tin orbital method, in order to verify the stability of the ambient pressure hcp phase against transition to the bcc structure at high pressures. As per our results, no hcp to bcc structural transition can occur up to 1 TPa pressures. Moreover, our Bain path calculations show that face centred cubic and body centred tetragonal structures are also not energetically preferred over hcp in this pressure range. The axial ratio (/) of Re changes by less than 0.33% in the pressure range studied.

  11. Kinetics study of crystallization with the disorder-bcc-fcc phase transition of charged colloidal dispersions.

    Science.gov (United States)

    Zhou, Hongwei; Xu, Shenghua; Sun, Zhiwei; Du, Xuan; Liu, Lixia

    2011-06-21

    Structure transformation (disorder-bcc-fcc) in charged colloidal dispersions, as a manifestation of the Ostwald's step rule, was confirmed by means of reflection spectrum (RS) measurements in our previous study. By taking advantage of a reflection spectrum containing plenty of information about the crystallization behaviors, time-dependent changes of parameters associated with the crystal structure and composition during the disorder-bcc-fcc transition are reported by treating the data from RS in this article. In addition, Avrami's model is adopted to analyze the transition process and investigate the transition rate. On the basis of the above investigations, associated kinetic features of crystallization with the disorder-bcc-fcc transition are described.

  12. Mechanosynthesis of supersaturated solid solutions of Sn in near-equiatomic bcc FeCo

    Energy Technology Data Exchange (ETDEWEB)

    Loureiro, J.M. [CEMDRX, Physics Department, University of Coimbra, P-3004-516 Coimbra (Portugal); Costa, B.F.O., E-mail: benilde@ci.uc.pt [CEMDRX, Physics Department, University of Coimbra, P-3004-516 Coimbra (Portugal); Le Caeer, G. [IPR, UMR URI-CNRS 6251, Universite de Rennes I, Campus de Beaulieu, Bat 11A, F-35042 Rennes Cedex (France)

    2012-09-25

    Highlights: Black-Right-Pointing-Pointer (Fe{sub 50-x/2}Co{sub 50-x/2})Sn{sub x} mixtures are mechanically alloyed for x {<=} 33 at.%. Black-Right-Pointing-Pointer As-ground powders are studied by X-ray diffraction and {sup 57}Fe and {sup 119}Sn Moessbauer spectroscopy. Black-Right-Pointing-Pointer Supersaturated solutions of Sn in disordered bcc FeCo alloys are formed in our dynamical conditions up to x {<=} 20 at.%. Black-Right-Pointing-Pointer This maximum Sn solubility found is much larger than the equilibrium solubility which is about 0.5 at.%. Black-Right-Pointing-Pointer The mean {sup 119}Sn hyperfine field in the bcc alloys is essentially constant with x and equal to 9.6 T at room temperature. - Abstract: The mechanosynthesis of Fe-Co-Sn ternary alloys from initial powder mixtures of composition (Fe{sub 50-x/2}Co{sub 50-x/2})Sn{sub x} is studied for x {<=} 33 at.%. Disordered nanocrystalline bcc solid solutions are formed in that way up to Sn contents as large as {approx}20 at.%. The dissolution of Sn in near-equiatomic bcc Fe-Co is unambiguously proven by X-ray diffraction and {sup 57}Fe and {sup 119}Sn Moessbauer spectroscopy.

  13. Microbiological assessment of Burkholderia cepacia complex (Bcc isolates in Alexandria Main University Hospital

    Directory of Open Access Journals (Sweden)

    Nancy Omar

    2015-03-01

    Minimal Inhibitory Concentration (MIC determining tests showed that only 11.5% were resistant to meropenem at MIC > 16 μg/ml, while 40% of the strains were resistant to ceftazidime at MIC > 32 μg/ml. Those results for the time being indicate that meropenem is the best therapeutic option for Bcc infections in AMUH.

  14. Mechanosynthesis of supersaturated solid solutions of Sn in near-equiatomic bcc FeCo

    International Nuclear Information System (INIS)

    Highlights: ► (Fe50−x/2Co50−x/2)Snx mixtures are mechanically alloyed for x ≤ 33 at.%. ► As-ground powders are studied by X-ray diffraction and 57Fe and 119Sn Mössbauer spectroscopy. ► Supersaturated solutions of Sn in disordered bcc FeCo alloys are formed in our dynamical conditions up to x ≤ 20 at.%. ► This maximum Sn solubility found is much larger than the equilibrium solubility which is about 0.5 at.%. ► The mean 119Sn hyperfine field in the bcc alloys is essentially constant with x and equal to 9.6 T at room temperature. - Abstract: The mechanosynthesis of Fe–Co–Sn ternary alloys from initial powder mixtures of composition (Fe50−x/2Co50−x/2)Snx is studied for x ≤ 33 at.%. Disordered nanocrystalline bcc solid solutions are formed in that way up to Sn contents as large as ∼20 at.%. The dissolution of Sn in near-equiatomic bcc Fe–Co is unambiguously proven by X-ray diffraction and 57Fe and 119Sn Mössbauer spectroscopy.

  15. Quantum-well states and induced magnetism in Fe/CuN/Fe bcc (001) trilayers

    DEFF Research Database (Denmark)

    Niklasson, A.M.N.; Mirbt, S.; Skriver, Hans Lomholt;

    1996-01-01

    We have used a first-principles Green's function technique to investigate the formation of magnetic moments in Fe/Cu-N/Fe bcc (001) trilayers. We show that the magnetic moment in the paramagnetic spacer material to a first approximation may be described as a linear superposition of the magnetic...

  16. NiFe epitaxial films with hcp and fcc structures prepared on bcc-Cr underlayers

    Energy Technology Data Exchange (ETDEWEB)

    Higuchi, Jumpei, E-mail: higuchi@futamoto.elect.chuo-u.ac.jp [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Ohtake, Mitsuru; Sato, Yoichi [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan); Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan)

    2011-09-30

    NiFe epitaxial films are prepared on Cr(211){sub bcc} and Cr(100){sub bcc} underlayers grown hetero-epitaxially on MgO single-crystal substrates by ultra-high vacuum rf magnetron sputtering. The film growth behavior and the crystallographic properties are studied by reflection high energy electron diffraction and pole figure X-ray diffraction. Metastable hcp-NiFe(11-bar 00) and hcp-NiFe(112-bar 0) crystals respectively nucleate on Cr(211){sub bcc} and Cr(100){sub bcc} underlayers, where the hcp-NiFe crystals are stabilized through hetero-epitaxial growth. The hcp-NiFe(11-bar 00) crystal is a single-crystal with the c-axis parallel to the substrate surface, whereas the hcp-NiFe(112-bar 0) crystal is a bi-crystal with the respective c-axes lying in plane and perpendicular each other. With increasing the film thickness, the hcp structure in the NiFe films starts to transform into more stable fcc structure by atomic displacement parallel to the hcp(0001) close packed plane. The resulting films consist of hcp and fcc crystals.

  17. Nucleation of hcp and fcc phases in bcc iron under uniform compression: classical molecular dynamics simulations.

    Science.gov (United States)

    Wang, B T; Shao, J L; Zhang, G C; Li, W D; Zhang, P

    2010-11-01

    By classical molecular dynamics simulations employing an embedded atom method potential, we have simulated the bcc to hcp/fcc structural transition in single-crystal iron under uniform compression. Results showed that the transition pressure is different from uniaxial compression and shock loading. The transformation occurs on a picosecond timescale and the transition time decreases along with the increase of pressure. The nucleation and growth of the hcp and fcc phases under constant pressure and temperature are analyzed in detail. The nucleation planes, all belonging to the {110}(bcc) family and parallel to the three compression directions [100], [010], and [001], have been observed. About 20% bcc atoms have transformed to fcc phase under pressure just over the critical point, and under higher pressure the fraction of the fcc phase increases steadily to exceed that of the hcp phase. We have investigated the transition mechanism of iron from initial bcc to hcp/fcc and found that the transition mainly consists of compression, rotation, and shuffle.

  18. Comparing the structural stability of PbS nanocrystals assembled in fcc and bcc superlattice allotropes.

    Science.gov (United States)

    Bian, Kaifu; Wang, Zhongwu; Hanrath, Tobias

    2012-07-01

    We investigated the structural stability of colloidal PbS nanocrystals (NCs) self-assembled into superlattice (SL) allotropes of either face-centered cubic (fcc) or body-centered cubic (bcc) symmetry. Small-angle X-ray scattering analysis showed that the NC packing density is higher in the bcc than in the fcc SL; this is a manifestation of the cuboctahedral shape of the NC building block. Using the high-pressure rock-salt/orthorhombic phase transition as a stability indicator, we discovered that the transition pressure for NCs in a bcc SL occurs at 8.5 GPa, which is 1.5 GPa higher than the transition pressure (7.0 GPa) observed for a fcc SL. The higher structural stability in the bcc SL is attributed primarily to the effective absorption of loading force in specific SL symmetry and to a lesser extent to the surface energy of the NCs. The experimental results provide new insights into the fundamental relationship between the symmetry of the self-assembled SL and the structural stability of the constituent NCs.

  19. Free µ-Lattices

    DEFF Research Database (Denmark)

    Santocanale, Luigi

    2002-01-01

    A μ-lattice is a lattice with the property that every unary polynomial has both a least and a greatest fix-point. In this paper we define the quasivariety of μ-lattices and, for a given partially ordered set P, we construct a μ-lattice JP whose elements are equivalence classes of games in a preor...

  20. Categorical skew lattices

    CERN Document Server

    Kinyon, Michael

    2012-01-01

    Categorical skew lattices are a variety of skew lattices on which the natural partial order is especially well behaved. While most skew lattices of interest are categorical, not all are. They are characterized by a countable family of forbidden subalgebras. We also consider the subclass of strictly categorical skew lattices.

  1. First principles calculations of lattice parameter and elastic constants of BCC γ(U,Mo) disordered phase

    International Nuclear Information System (INIS)

    Irradiation tests have shown that U-Mo dispersion fuel suffers from interaction between the fuel and the aluminum matrix at higher temperature. A potential solution to mitigate these phenomena is to use a fuel alloy foil in place of the fuel-aluminum dispersion. This monolithic fuel provides a lower fuel-matrix interfacial surface area and a much higher uranium density than dispersion type fuel. Internal stresses will arise, during fabrication and operating conditions, in the interface between fuel and cladding materials due to the difference in the thermal expansion coefficients and elastic constants. Our aim is to ascertain these properties for the gamma phase in the U-Mo alloy from the knowledge of its internal energy as a function of deformation. Internal energy of the disordered phase is obtained as a cluster expansion from AB initio calculated interaction parameters in each of three deportation modes: Hydrostatic, tetragonal and trigonal. Preliminary results are presented that have served as a proof of method suitability. (author)

  2. Epitaxial growth of bcc-Fe{sub x}Co{sub 100-x} thin films on MgO(1 1 0) single-crystal substrates

    Energy Technology Data Exchange (ETDEWEB)

    Ohtake, Mitsuru, E-mail: ohtake@futamoto.elect.chuo-u.ac.j [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Nishiyama, Tsutomu; Shikada, Kouhei [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan); Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan)

    2010-07-15

    Fe{sub x}Co{sub 100-x} (x=100, 65, 50 at%) epitaxial thin films were prepared on MgO(1 1 0) single-crystal substrates heated at 300 deg. C by ultra-high vacuum molecular beam epitaxy. The film structure and the growth mechanism are discussed. FeCo(2 1 1) films with bcc structure grow epitaxially on MgO(1 1 0) substrates with two types of variants whose orientations are rotated around the film normal by 180 deg. each other for all compositions. Fe{sub x}Co{sub 100-x} film growth follows the Volmer Weber mode. X-ray diffraction analysis indicates the out-of-plane and the in-plane lattice spacings are in agreement with the values of respective bulk Fe{sub x}Co{sub 100-x} crystals with very small errors less than +-0.4%, suggesting the strains in the films are very small. High-resolution cross-sectional transmission electron microscopy shows that periodical misfit dislocations are preferentially introduced in the film at the Fe{sub 50}Co{sub 50}/MgO interface along the MgO[1 1-bar 0] direction. The presence of such periodical dislocations decreases the large lattice mismatch of about -17% existing at the FeCo/MgO interface along the MgO[1 1-bar 0] direction.

  3. Modeling the sublattice magnetizations for the layered bcc nanojunction … Fe[Fe1-cCoc ] ℓ Fe … systems

    Science.gov (United States)

    Ashokan, V.; Abou Ghantous, M.; Khater, A.

    2015-12-01

    Ferromagnetic nanojunctions … Fe[Fe1-cCoc ] ℓ Fe …, with ℓ is the number of layers which constitute the nanojunction, based on Fe/Co alloy are considered for the first time in this work. We model the salient magnetic properties of the layered ferromagnetic nanostructures between magnetically ordered iron leads. The effective field theory (EFT) Ising spin method is used to compute reliable Jav exchange values for the VCA Fe/Co alloy materials in comparison with experimental data and compared to existing DFT calculated exchange interactions. The new set of exchange interaction values between pairs of nearest neighbors atom in the alloy are deduced and agree with previous known measurement of lattice constant for this alloy. Using the combined EFT and mean field theory (MFT) spin methods, the sublattice magnetizations of the Fe and Co sites on the individual bcc basal planes of the layered nanostructures, are calculated and analyzed. The sublattice magnetizations, effective magnetic moments per site, and the possible ferromagnetic order of the layers [Fe1-cCoc ] ℓ on the individual bcc atomic planes of the embedded nanostructures for all temperatures and in particular for TcFe ≤ T ≤Tα→γ are presented as a function of temperature and thicknesses of the layered ferromagnetic nanostructures, for different stable concentrations c=0.25, 0.5 and 0.75. In the absence of first principles calculations for these basic physical variables for the layered nanostructures between iron leads, the combined EFT and MFT approach yields the only available information for them at present in the absence of a possible Curie temperature for these alloys. These variables are necessary for certain spin dynamic computations, as for the ballistic magnon transport across embedded nanojunctions in magnonics. The model is general, and may applied directly to other composite magnetic elements and embedded nanostructures.

  4. Photocatalytic degradation of gaseous toluene over bcc-In2O3 hollow microspheres

    Science.gov (United States)

    Zhang, Qianzhe; Li, Xinyong; Zhao, Qidong; Shi, Yong; Zhang, Fei; Liu, Baojun; Ke, Jun; Wang, Lianzhou

    2015-05-01

    In this work, the body-centered cubic indium oxide (bcc-In2O3) hollow microspheres were prepared via a P123-assisted solvothermal process. The structural properties of samples were investigated by X-ray powder diffraction, scanning electron microscopy, transmission electron microscopy, UV-visible diffusive reflectance spectroscopy, and nitrogen adsorption-desorption isotherms. The photocatalytic effects of degrading gaseous toluene were evaluated by gas chromatography and in situ Fourier transform infrared (FTIR) spectra under a irradiation of a 500 W high pressure xenon lamp. The results indicated that the as-prepared bcc-In2O3 hollow microspheres exhibited a high degradation efficiency towards toluene within a short reaction time. Besides, the preliminary mechanism therein was inferred with the aid of in situ FTIR and electron spin-paramagnetic resonance techniques to understand the degradation process.

  5. Importance of Shear in the bcc-to-hcp Transformation in Iron

    Science.gov (United States)

    Caspersen, Kyle J.; Lew, Adrian; Ortiz, Michael; Carter, Emily A.

    2004-09-01

    Iron shows a pressure-induced martensitic phase transformation from the ground state ferromagnetic bcc phase to a nonmagnetic hcp phase at ≈13 GPa. The exact transformation pressure (TP) and pathway are not known. Here we present a multiscale model containing a quantum-mechanics-based multiwell energy function accounting for the bcc and hcp phases of Fe and a construction of kinematically compatible and equilibrated mixed phases. This model suggests that shear stresses have a significant influence on the bcc↔hcp transformation. In particular, the presence of modest shear accounts for the scatter in measured TPs. The formation of mixed phases also provides an explanation for the observed hysteresis in TP.

  6. Multi-scale modeling of the iron bcc arrow hcp martensitic phase transformation

    Science.gov (United States)

    Caspersen, Kyle; Carter, Emily; Lew, Adrian; Ortiz, Michael

    2004-03-01

    Pressures exceeding 10 GPa induce a martensitic phase transformation in iron, where ferro-magnetic bcc transforms into non-magnetic hcp. The transition pressure is not known precisely, but is thought to depend strongly on shear. To investigate the properties of this transformation and the role of shear, we have developed a multi-scale iron model. This model contains a free energy derived from an ab-initio based non-linear elastic expansion, a kinematically compatible spinodal decomposition of phases, ab-initio based interfacial energies, and a dependence on the bcc rightarrow hcp transformation path(s). The model shows spinodal decomposition behavior (with a slight expected deviation) as well as predicting 10 GPa to be the transformation pressure. Additionally, the model predicted that the inclusion of shear facilitates the transformation, causing transformation pressure to decrease.

  7. Critical currents in A-15 structure Nb3Al converted from cold-worked bcc structure

    International Nuclear Information System (INIS)

    Nb3Al prepared in the ductile bcc phase by quenching, followed by mechanical working, followed by conversion to the A-15 structure is found to carry currents above 109 A/m2 in fields near 20 T. These critical currents are comparable to those found in Nb3Ge and V3Ga, the closest competing materials for use in high fields. Further enhancement of J/sub c/ is possible if thermal treatments are optimized

  8. Yield Functions and Plastic Potentials for BCC Metals and Possibly Other Materials

    Energy Technology Data Exchange (ETDEWEB)

    Christensen, R M

    2005-09-29

    Yield functions and plastic potentials are expressed in terms of the invariants of the stress tensor for polycrystalline metals and other isotropic materials. The plastic volume change data of Richmond is used to evaluate the embedded materials properties for some bcc metals and one polymer. A general form for the plastic potential is found that is intended to represent and cover a wide range of materials types.

  9. Thermal hysteresis of the thermal conductivity in isotopically impure bcc 3He

    Science.gov (United States)

    Greenberg, A. S.; Armstrong, G.

    1980-11-01

    We have measured the thermal conductivity of bcc 3He containing 10 and 500 ppm 4He for temperatures below the isotopic phase separation. We find the conductivity measured during cooling can be significantly greater, as much as an order of magnitude, than upon warming. This hysteresis depends strongly on the molar volume and 4He concentration. We interpret our results in terms of phonon scattering from the boundary of solid 4He clusters formed by quantum diffusion and nucleated by crystalline faults.

  10. Influence of reaction stresses induced by dislocation slips on the orientation evolution in bcc metals

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    A plastic deformation model for bcc metals is proposed in consideration of reaction stresses. The shear strains and the corresponding reaction stresses induced by the activation of dislocations are calculated in the model, which will influence the following dislocation activation. The rolling texture in bcc metals is simulated up to 80% reduction, while the ratio of critical resolved shear stresses between the dislocations slipping on the {110} and {112} planes is chosen as 0.95. The corresponding calculation is also conducted with the activation of second dislocation, if the difference between the orientation factor of the two dislocations with maximal orientation factors is lower than 5%. It is shown that the simulated texture is closer to that of the 80% rolled interstitial free steels than other modeling. It is believed that the new model can give more attention to both of the strain and stress continuities during the plastic deformation of polycrystalline metals, and therefore approaches closer to the real deformation process in bcc metals.

  11. Ab initio study of Cr interactions with point defects in bcc Fe

    International Nuclear Information System (INIS)

    Full text of publication follows. Ferritic martensitic steels are candidate structural materials for fast neutron reactors, and in particular high-Cr reduced-activation steels. In Fe-Cr alloys, Cr plays a major role in the radiation-induced evolution of the mechanical properties. Using ab initio calculations based on density functional theory, the properties of Cr in α-Fe have been investigated. The intrinsic point defect formation energies were found to be larger in model bcc Cr as compared to those in ferromagnetic bcc Fe. The interactions of Cr with point defects (vacancy and self interstitials) have been characterised. Single Cr atoms interact weakly with vacancies but significantly with self-interstitial atoms. Mixed interstitials of any interstitial symmetry are bound. Configurations where two Cr atoms are in nearest neighbour position are generally unfavourable in bcc Fe except when they are a part of a interstitial complex. Mixed interstitials do not have as strong directional stability as pure Fe interstitials have. The effects on the results using the atom description scheme of either the ultrasoft pseudo-potential (USPP) or the projector augmented wave (PAW) formalisms are connected to the differences in local magnetic moments that the two methods predict. As expected for the Fe-Cr system, the results obtained using the PAW method are more reliable than the ones obtained with USPP. (authors)

  12. Control of bcc and fcc phase formation during mechanical alloying of Ti-Al-Nb

    International Nuclear Information System (INIS)

    A Ti-Al-Nb alloy was processed by ball milling or mechanical alloying in a high energy shaker mill in an attempt to produce a fine grained BCC alloy. Previous studies of this alloy resulted in the formation of an amorphous phase followed by a 100% FCC alloy (probably a nitride phase). In the present study, ball milling was conducted in two different laboratories with nitride- and oxide-free starting powders in each location. Two types of starting powders were used: pre-alloyed powders and mixed elemental powders of the same composition. The production of a 90% BCC/10% FCC alloy was accomplished indicating that the production of 100% BCC alloy may be possible. The methods used to prevent the formation of nitrides and oxides of these very reactive constituents during mechanical alloying are discussed and x-ray diffraction results of the mechanically alloyed powders milled by various techniques are presented. The most important factor leading to amorphization and FCC phase formation appears to be contamination associated with periodic sampling of the alloy during ball milling even when dry, inert gas gloveboxes are used for powder transfer

  13. Diffusion behavior of Cr diluted in bcc and fcc Fe: Classical and quantum simulation methods

    Energy Technology Data Exchange (ETDEWEB)

    Ramunni, Viviana P., E-mail: vpram@cnea.gov.ar [CONICET, Avda. Rivadavia 1917, Cdad. de Buenos Aires C.P. 1033 (Argentina); Comisión Nacional de Energía Atómica, Gerencia Materiales, Av. Del Libertador 8250, C1429BNP Ciudad de Buenos Aires (Argentina); Rivas, Alejandro M.F. [CONICET, Avda. Rivadavia 1917, Cdad. de Buenos Aires C.P. 1033 (Argentina); Comisión Nacional de Energía Atómica, Departamento de Física Teórica, Tandar, Av. Del Libertador 8250, C1429BNP Ciudad de Buenos Aires (Argentina)

    2015-07-15

    We characterize the atomic mobility behavior driven by vacancies, in bcc and fcc Fe−Cr diluted alloys, using a multi-frequency model. We calculate the full set of the Onsager coefficients and the tracer self and solute diffusion coefficients in terms of the mean jump frequencies. The involved jump frequencies are calculated using a classical molecular static (CMS) technique. For the bcc case, we also perform quantum calculations based on the density functional theory (DFT). There, we show that, in accordance with Bohr's correspondence principle, as the size of the atomic cell (total number of atoms) is increased, quantum results with DFT recover the classical ones obtained with CMS calculations. This last ones, are in perfect agreement with available experimental data for both, solute and solvent diffusion coefficients. For high temperatures, in the fcc phase where no experimental data are yet available, our CMS calculations predict the expected solute and solvent diffusion coefficients. - Graphical abstract: Display Omitted - Highlights: • Comparison of diffusion coefficients obtained from classical and quantum methods. • We perform our calculations in diluted bcc/fcc Fe–Cr alloy. • Magnetic and phonon effects must be taken into account. • Classical calculations are in perfect agreement with experimental data.

  14. Modelling plastic deformation in BCC metals: Dynamic recovery and cell formation effects

    Energy Technology Data Exchange (ETDEWEB)

    Galindo-Nava, E.I. [Department of Materials Science and Metallurgy, Pembroke Street, CB2 3QZ, University of Cambridge, Cambridge (United Kingdom); Department of Materials Science and Engineering, Mekelweg 2 2628 CD, Delft University of Technology, Delft (Netherlands); Rivera-Diaz-del-Castillo, P.E.J., E-mail: pejr2@cam.ac.uk [Department of Materials Science and Metallurgy, Pembroke Street, CB2 3QZ, University of Cambridge, Cambridge (United Kingdom)

    2012-12-15

    A recently developed model for describing plasticity in FCC metals (E.I., Galindo-Nava, P.E.J., Rivera-Diaz-del-Castillo, Mater. Sci. Eng. A 543 (2012) 110-116; E.I. Galindo-Nava, P.E.J. Rivera-Diaz-del-Castillo, Acta Mater. 60 (2012) 4370-4378) has now been applied to BCC. The core of the theory is the thermostatistical description of dislocation annihilation paths, which determines the dynamic recovery rate of the material. Input to this is the energy for the formation, migration and ordering of dislocation paths; the latter term corresponds to the statistical entropy which features strongly on the solution. The distinctions between FCC and BCC stem primarily from the possible directions and planes for dislocation slip and cross-slip, as well as from the presence of the kink-pair mechanism for dislocation migration in BCC, which are incorporated to the mathematical formulation of the model. The theory is unique in describing the stress-strain response for pure iron, molybdenum, tantalum, vanadium and tungsten employing physical parameters as input; the description is made for wide ranges of temperature and strain rate. Additionally, succinct equations to predict dislocation cell size variation with strain, strain rate and temperature are provided and validated for pure iron.

  15. Coulomb interaction parameters in bcc iron: an LDA+DMFT study

    Science.gov (United States)

    Belozerov, A. S.; Anisimov, V. I.

    2014-09-01

    We study the influence of Coulomb interaction parameters on electronic structure and magnetic properties of paramagnetic bcc Fe by means of the local density approximation plus dynamical mean-field theory approach. We consider the local Coulomb interaction in the density-density form as well as in the form with spin rotational invariance approximated by averaging over all directions of the quantization axis. Our results indicate that the magnetic properties of bcc Fe are mainly affected by the Hund's rule coupling J rather than by the Hubbard U. By employing the constrained density functional theory approach in the basis of Wannier functions of spd character, we obtain U = 4 eV and J = 0.9 eV. In spite of the widespread belief that U = 4 eV is too large for bcc Fe, our calculations with the obtained values of U and J result in a satisfactory agreement with the experiment. The correlation effects caused by U are found to be weak even for large U = 6 eV. The agreement between the calculated and experimental Curie temperatures is further improved if J is reduced to 0.8 eV. However, with the decrease of J, the effective local magnetic moment moves further away from the experimental value.

  16. Ultralocality on the lattice

    CERN Document Server

    Campos, R G; Campos, Rafael G.; Tututi, Eduardo S.

    2002-01-01

    It is shown that the nonlocal Dirac operator yielded by a lattice model that preserves chiral symmetry and uniqueness of fields, approaches to an ultralocal and invariant under translations operator when the size of the lattice tends to zero.

  17. Sober Topological Molecular Lattices

    Institute of Scientific and Technical Information of China (English)

    张德学; 李永明

    2003-01-01

    A topological molecular lattice (TML) is a pair (L, T), where L is a completely distributive lattice and r is a subframe of L. There is an obvious forgetful functor from the category TML of TML's to the category Loc of locales. In this note,it is showed that this forgetful functor has a right adjoint. Then, by this adjunction,a special kind of topological molecular lattices called sober topological molecular lattices is introduced and investigated.

  18. Perspectives in Lattice QCD

    Science.gov (United States)

    Kuramashi, Yoshinobu

    2007-12-01

    Preface -- Fixed point actions, symmetries and symmetry transformations on the lattice / P. Hasenfratz -- Algorithms for dynamical fennions / A. D. Kennedy -- Applications of chiral perturbation theory to lattice QCD / Stephen R. Sharpe -- Lattice QCD with a chiral twist / S. Sint -- Non-perturbative QCD: renormalization, O(A) - Improvement and matching to Heavy Quark effective theory / Rainer Sommer.

  19. Laplacians on lattices

    CERN Document Server

    Zakrzewski, W J

    2004-01-01

    We consider some lattices and look at discrete Laplacians on these lattices. In particular we look at solutions of the equation $\\triangle(1)\\phi = \\triangle(2)Z$ where $\\triangle(1)$ and $\\triangle(2)$ are two such laplacians on the same lattice. We discuss solutions of this equation in some special cases.

  20. Time-resolved lattice measurements of shock-induced phase transitions in polycrystalline materials

    Science.gov (United States)

    Milathianaki, Despina

    The response of materials under extreme temperature and pressure conditions is a topic of great significance because of its relevance in astrophysics, geophysics, and inertial confinement fusion. In recent years, environments exceeding several hundred gigapascals in pressure have been produced in the laboratory via laser-based dynamic loading techniques. Shock-loading is of particular interest as the shock provides a fiducial for measuring time-dependent processes in the lattice such as phase transitions. Time-resolved x-ray diffraction is the only technique that offers an insight into these shock-induced processes at the relevant spatial (atomic) and temporal scales. In this study, nanosecond resolution x-ray diffraction techniques were developed and implemented towards the study of shock-induced phase transitions in polycrystalline materials. More specifically, the capability of a focusing x-ray diffraction geometry in high-resolution in situ lattice measurements was demonstrated by probing shock-compressed Cu and amorphous metallic glass samples. In addition, simultaneous lattice and free surface velocity measurements of shock-compressed Mg in the ambient hexagonal close packed (hcp) and shock-induced body centered cubic (bcc) phases between 12 and 45 GPa were performed. These measurements revealed x-ray diffraction signals consistent with a compressed bcc lattice above a shock pressure of 26.2+/-1.3 GPa, thus capturing for the first time direct lattice evidence of a shock-induced hcp to bcc phase transition in Mg. Our measurement of the hcp-bcc phase boundary in Mg was found to be consistent with the calculated boundary from generalized pseudopotential theory in the pressure and temperature region intersected by the principal shock Hugoniot. Furthermore, the subnanosecond timescale of the phase transition implied by the shock-loading conditions was in agreement with the kinetics of a martensitic transformation. In conclusion, we report on the progress and

  1. Embedded atom computer simulation of lattice distortion and dislocation core structure and mobility in Fe-Cr alloys

    Energy Technology Data Exchange (ETDEWEB)

    Farkas, D.; Schon, C.G.; Lima, M.S.F. de [Virginia Polytechnic Inst., Blacksburg, VA (United States). Dept. of Materials Science and Engineering; Goldenstein, H. [Escola Politecnica USP, Sao Paulo (Brazil). Dept. de Metalurgia

    1996-01-01

    The atomistic structure of dislocation cores of <111> screw dislocations in disordered Fe-Cr b.c.c. alloys was simulated using embedded atom method potentials and molecular statics computer simulation. The mixed Fe-Cr interatomic potentials used were derived by fitting to the thermodynamic data of the disordered system and the measured lattice parameter changes of Fe upon Cr additions. The potentials predict phase separation as the most stable configuration for the central region of the phase diagram. The next most stable situation is the disordered b.c.c. phase. The structure of the screw 1/2 <111> dislocation core was studied using atomistic computer simulation and an improved visualization method for the representation of the resulting structures. The structure of the dislocation core is different from that typical of 1/2 <111> dislocations in pure b.c.c. materials. The core structure in the alloy tends to lose the threefold symmetry seen in pure b.c.c. materials and the stress necessary to initiate dislocation motion increases with Cr content. The mobility of kinks in these screw dislocations was also simulated and it was found that while the critical stress for kink motion in pure Fe is extremely low, it increases significantly with the addition of Cr. The implications of these differences for mechanical behavior are discussed.

  2. Effect of lattice relaxations on the hyperfine fields of heavy impurities in Fe

    Energy Technology Data Exchange (ETDEWEB)

    Korhonen, T. E-mail: tko@fyslab.hut.fi; Settels, A.; Papanikolaou, N.; Zeller, R.; Dederichs, P.H

    2001-05-01

    We present first-principles calculations of hyperfine fields of heavy impurities in BCC Fe. In particular, the effect of lattice relaxations on the calculated hyperfine fields are studied. The calculations are based on a full-potential Korringa-Kohn-Rostoker Green's function method for defects and employ the local spin-density approximation for the exchange and correlation effects. The non-spherical parts of the potential and the charge density are treated correctly, while the forces are calculated by an ionic version of the Hellmann-Feynman theorem. Lattice statics methods are used to describe the longer ranged relaxations. The calculated hyperfine fields of 5sp and 6sp elements are compared with the available experimental data and it is shown that the inclusion of lattice relaxations in the calculation improves the agreement with experiments.

  3. Coupled Simulations of Texture Evolution during Deformation and Recrystallization of FCC and BCC Metals

    Energy Technology Data Exchange (ETDEWEB)

    Radhakrishnan, Balasubramaniam [ORNL; Gorti, Sarma B [ORNL

    2008-01-01

    Thermo-mechanical processing to produce optimum grain structure and texture is key to the successful utilization of commercial aluminum alloys and steels as sheet products. Several modeling techniques have been developed in the past with a reasonably good predictive capability for bulk deformation textures. However, prediction of texture evolution during recrystallization remains very challenging because of uncertainties involved in predicting the mechanisms that lead to nuclei formation and crystallographic orientations of the nuclei, and the uncertainties involved in predicting the grain boundary properties that determine the growth kinetics of the nuclei. We present some of our recent work in modeling the recrystallization textures following hot deformation in polycrystalline BCC and FCC metals.

  4. Superconductivity and the b.c.c. to A-15 transformation in Nb-Au alloys

    International Nuclear Information System (INIS)

    Nb-Au alloys near the composition Nb3Au can be quenched from the high temperature α solid solution phase field, retaining the b.c.c. structure. Results are reported on their superconducting, mechanical and physical properties as a function of composition. Short low temperature anneals transform these materials to the equilibrium A-15 structure with Tsub(c) up to 11 K. Results are reported on the superconducting and physical properties of the transformed A-15 structure materials and the way in which the properties of the transformed materials are affected by annealing temperature and time is described. (author)

  5. Simulation of He embrittlement at grain boundaries in bcc transition metals

    Science.gov (United States)

    Suzudo, Tomoaki; Yamaguchi, Masatake

    2015-10-01

    To investigate what atomic properties largely determine vulnerability to He embrittlement at grain boundaries (GB) of bcc metals, we introduce a computational model composed of first principles density functional theory and a He segregation rate theory model. Predictive calculations of He embrittlement at the first wall of the future DEMO fusion concept reactor indicate that variation in the He embrittlement originated not only from He production rate related to neutron irradiation, but also from the He segregation energy at the GB that has a systematic trend in the periodic table.

  6. Study of BCC and FCC crystal atomic structure under instant plastic deformation

    International Nuclear Information System (INIS)

    Evolution of atomic structure of BCC and FCC crystals under conditions of pulsed external loads and great plastic deformations on the basis of computerized experiments is studied. Deformation of crystals was carried out stage-by-stage up to 32%. The results of computerized experiments showed that by instantaneous external loads plastic deformation, depending on its stage, may proceed either on the account of partial dislocations motion, or on account of twinning , or by means of atomic planes turn and shift. Regularities of the system potential energy turn angle of atomic planes change in dependence on the value of the crystal plastic deformation are determined

  7. Subseasonal variability and predictability of the Arctic Oscillation/North Atlantic Oscillation in BCC_AGCM2.2

    Science.gov (United States)

    Zuo, Jinqing; Ren, Hong-Li; Wu, Jie; Nie, Yu; Li, Qiaoping

    2016-09-01

    The subseasonal variability and predictability of the Arctic Oscillation/North Atlantic Oscillation (AO/NAO) is evaluated using a full set of hindcasts generated from the Beijing Climate Center Atmospheric General Circulation Model version 2.2 (BCC_AGCM2.2). It is shown that the predictability of the monthly mean AO/NAO index varies seasonally, with the highest predictability during winter (December-March) and the lowest during autumn (August-November), with respect to both observations and BCC_AGCM2.2 results. As compared with the persistence prediction skill of observations, the model skillfully predicts the monthly mean AO/NAO index with a one-pentad lead time during all winter months, and with a lead time of up to two pentads in December and January. During winter, BCC_AGCM2.2 exhibits an acceptable skill in predicting the daily AO/NAO index of ∼9 days, which is higher than the persistence prediction skill of observations of ∼4 days. Further analysis suggests that improvements in the simulation of storm track activity, synoptic eddy feedback, and troposphere-stratosphere coupling in the Northern Hemisphere could help to improve the prediction skill of subseasonal AO/NAO variability by BCC_AGCM2.2 during winter. In particular, BCC_AGCM2.2 underestimates storm track activity intensity but overestimates troposphere-stratosphere coupling, as compared with observations, thus providing a clue to further improvements in model performance.

  8. Inherited textures in the bcc phase furnish information about the type of transformation from the fcc phase

    International Nuclear Information System (INIS)

    Drawing annealed cylindric 18/8 Cr Ni steels, which are originally free of textures, produces the transformed phases - hcp and bcc - both showing major texture contributions with increasing stretching of the cylindric specimens. After stretching the original fcc-phase shows two orientations: [100]fcc vertical stroke vertical stroke cylinder axis and [111]fcc vertical stroke vertical stroke cylinder axis, i.e. direction of stress. In both cases the martensitic phase is produced by gliding and shear in the sequence fcc → hcp → bcc by Nishiyama-Wasserman (N-W) or Kurdjumov-Sachs (K-S) transformation in the (111)fcc planes, which enclose a small angle with direction of stress, i.e. cylinder axis. The calculated orientation distributions of the (110)bcc reflex are compared with the distribution measured by neutron diffraction to get information on the bulk material. The special K-S transformation with only 6 (110)bcc orientations shows relatively good agreement with the measured distribution, except at small angles ω between the cylinder axis and the scattering vector. This might be caused by the isotropic fraction of the fcc phase producing an anisotropic (110)bcc orientation distribution. (orig.)

  9. 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.

  10. Engineering novel optical lattices.

    Science.gov (United States)

    Windpassinger, Patrick; Sengstock, Klaus

    2013-08-01

    Optical lattices have developed into a widely used and highly recognized tool to study many-body quantum physics with special relevance for solid state type systems. One of the most prominent reasons for this success is the high degree of tunability in the experimental setups. While at the beginning quasi-static, cubic geometries were mainly explored, the focus of the field has now shifted toward new lattice topologies and the dynamical control of lattice structures. In this review we intend to give an overview of the progress recently achieved in this field on the experimental side. In addition, we discuss theoretical proposals exploiting specifically these novel lattice geometries. PMID:23828639

  11. 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.)

  12. Lattice degeneracies of fermions

    International Nuclear Information System (INIS)

    We present a detailed description of the minimal degeneracies of geometric (Kaehler) fermions on all the lattices of maximal symmetries in n = 1, ..., 4 dimensions. We also determine the isolated orbits of the maximal symmetry groups, which are related to the minimal numbers of ''naive'' fermions on the reciprocals of these lattices. It turns out that on the self-reciprocal lattices the minimal numbers of naive fermions are equal to the minimal numbers of degrees of freedom of geometric fermions. The description we give relies on the close connection of the maximal lattice symmetry groups with (affine) Weyl groups of root systems of (semi-) simple Lie algebras. (orig.)

  13. Molecular dynamics simulations of hcp/fcc nucleation and growth in bcc iron driven by uniaxial compression.

    Science.gov (United States)

    Wang, B T; Shao, J L; Zhang, G C; Li, W D; Zhang, P

    2009-12-01

    Molecular dynamics simulations have been performed to study the structural transition in bcc iron under uniaxial strain loading. We found that the transition pressures are less dependent on the crystal orientations, ∼14 GPa for [001], [011], and [111] loadings. However, the pressure interval of a mixed phase for [011] loading is much shorter than loading along other orientations. In addition, the temperature increased amplitude for [001] loading is evidently lower than other orientations. The nucleation and growth of the hcp/fcc phases, and their crystal orientation dependence, were analyzed in detail, where the atom structure was presented by the topological medium-range-order analysis. For [001] compression, the hcp structure occurs first and grows into a laminar morphology in the (011)(bcc) plane with some fcc atoms as an intermediate structure. For loading along [011] and [111] directions, both hcp and fcc structure nucleation and growth along the {110}(bcc) planes are observed; their morphology is also discussed.

  14. Cluster-based composition rule for Laves phase-related BCC solid solution hydrogen storage alloys

    Institute of Scientific and Technical Information of China (English)

    WANG Qing; CHEN Feng; WU Jiang; QIANG Jianbing; DONG Chuang; ZHANG Yao; XU Fen; SUN Lixian

    2006-01-01

    A new cluster line approach for the composition rule of Laves phase-related BCC solid solution hydrogen-storage alloys was presented. The cluster line in a ternary phase diagram refers to a straight composition line linking a specific binary cluster to the third element. In the Laves phase-related BCC solid solution alloy system such as Ti-Cr-V, Ti-Cr tends to form binary Cr2Ti Laves phase while Ti-V and Cr-V to form solid solutions. This Laves phase is characterized by a close-packing icosahedral cluster Cr7Ti6. A cluster line Cr7Ti6-V is then constructed in this system. Alloy rods with a diameter of 3 mm of compositions along this line were prepared by copper-mould suction method. The alloy structure is found to vary with the V contents. Furthermore, the P-C-T measurements indicate that the cluster-line (Cr7Ti6)1-xVx alloys have large hydrogen storage capacities.

  15. Change in the thermophysical properties of BCC iron during isothermal compression

    Science.gov (United States)

    Magomedov, M. N.

    2015-11-01

    Equation of state P( V/ V 0, T) and baric dependences of the thermodynamic properties of bcc iron are obtained using the Mie-Lennard-Jones interatomic pair potential and the Einstein model of a crystal without any adjustable parameters. The calculations performed along two isotherms at 300 and 1500 K from P = 0 to 8000 kbar = 800 GPa (i.e., to V/ V 0 = 0.5) show good agreement with the experimental data. Baric graphical dependences are obtained for the following properties: isothermal bulk modulus B T and B'( P), isochoric specific heat C v and C v ' ( P), isobaric specific heat C p , thermal expansion coefficient α p and α p ' ( P), and specific surface energy of (100) face σ and σ'( P). Analytical approximations are obtained for baric dependences B'( P), α p ( P), and σ'( P). It is shown that, at P → ∞, functions B T ( P) and σ( P) for bcc iron change linearly and function α p ' ( P) tends toward zero.

  16. Influence of orientation on the size effect in bcc pillars with different critical temperatures

    International Nuclear Information System (INIS)

    Research highlights: → Crystallographic orientation has no effect on the stress-strain behavior of bcc micro-and nanopillars. → Size dependence of bcc pillars correlates with the material specific critical temperature. → Dependence on critical temperature shows importance of screw dislocation mobility. → Contribution of screw dislocations is verified by the loading rate dependence of the yield stress and calculated activation volumes. - Abstract: The size effect in body-centered cubic metals is comprehensively investigated through micro/nano-compression tests performed on focused ion beam machined tungsten (W), molybdenum (Mo) and niobium (Nb) pillars, with single slip [2 3 5] and multiple slip [0 0 1] orientations. The results demonstrate that the stress-strain response is unaffected by the number of activated slip systems, indicating that dislocation-dislocation interaction is not a dominant mechanism for the observed diameter dependent yield strength and strain hardening. Furthermore, the limited mobility of screw dislocations, which is different for each material at ambient temperature, acts as an additional strengthening mechanism leading to a material dependent size effect. Nominal values and diameter dependence of the flow stress significantly deviate from studies on face-centered cubic metals. This is demonstrated by the correlation of size dependence with the material specific critical temperature. Activation volumes were found to decrease with decreasing pillar diameter further indicating that the influence of the screw dislocations decreases with smaller pillar diameter.

  17. Co thin film with metastable bcc structure formed on GaAs(111 substrate

    Directory of Open Access Journals (Sweden)

    Minakawa Shigeyuki

    2014-07-01

    Full Text Available Co thin films are prepared on GaAs(111 substrates at temperatures ranging from room temperature to 600 ºC by radio-frequency magnetron sputtering. The growth behavior and the detailed resulting film structure are investigated by in-situ reflection high-energy electron diffraction and X-ray diffraction. In early stages of film growth at temperatures lower than 200 ºC, Co crystals with metastable A2 (bcc structure are formed, where the crystal structure is stabilized through hetero-epitaxial growth. With increasing the film thickness beyond 2 nm, the metastable structure starts to transform into more stable A1 (fcc structure through atomic displacements parallel to the A2{110} close-packed planes. The crystallographic orientation relationship between the A2 and the transformed A1 crystals is A1{111} || A2{110}. When the substrate temperature is higher than 400 ºC, Ga atoms of substrate diffuse into the Co films and a Co-Ga alloy with bcc-based ordered structure of B2 is formed.

  18. Equation of state of bcc-Mo by static volume compression to 410 GPa

    International Nuclear Information System (INIS)

    Unit cell volumes of Mo and Pt have been measured simultaneously to ≈400 GPa by x-ray powder diffraction using a diamond anvil cell and synchrotron radiation source. The body-centered cubic (bcc) phase of Mo was found to be stable up to 410 GPa. The equation of state (EOS) of bcc-Mo was determined on the basis of Pt pressure scale. A fit of Vinet EOS to the volume compression data gave K0 = 262.3(4.6) GPa, K0′ = 4.55(16) with one atmosphere atomic volume V0 = 31.155(24) A3. The EOS was in good agreement with the previous ultrasonic data within pressure difference of 2.5%–3.3% in the multimegabar range, though the EOS of Mo proposed from a shock compression experiment gave lower pressure by 7.2%–11.3% than the present EOS. The agreement would suggest that the Pt pressure scale provides an accurate pressure value in an ultra-high pressure range

  19. Nuclear lattice simulations

    Directory of Open Access Journals (Sweden)

    Epelbaum E.

    2010-04-01

    Full Text Available We review recent progress on nuclear lattice simulations using chiral effective field theory. We discuss lattice results for dilute neutron matter at next-to-leading order, three-body forces at next-to-next-toleading order, isospin-breaking and Coulomb effects, and the binding energy of light nuclei.

  20. Supersymmetry on the lattice

    Science.gov (United States)

    Bergner, Georg; Catterall, Simon

    2016-08-01

    We discuss the motivations, difficulties and progress in the study of supersymmetric lattice gauge theories focusing in particular on 𝒩 = 1 and 𝒩 = 4 super-Yang-Mills in four dimensions. Brief reviews of the corresponding lattice formalisms are given and current results are presented and discussed. We conclude with a summary of the main aspects of current work and prospects for the future.

  1. Active Optical Lattice Filters

    OpenAIRE

    Gary Evans; MacFarlane, Duncan L.; Govind Kannan; Jian Tong; Issa Panahi; Vishnupriya Govindan; L. Roberts Hunt

    2005-01-01

    Optical lattice filter structures including gains are introduced and analyzed. The photonic realization of the active, adaptive lattice filter is described. The algorithms which map between gains space and filter coefficients space are presented and studied. The sensitivities of filter parameters with respect to gains are derived and calculated. An example which is relevant to adaptive signal processing is also provided.

  2. Flat Band Quastiperiodic Lattices

    Science.gov (United States)

    Bodyfelt, Joshua; Flach, Sergej; Danieli, Carlo

    2014-03-01

    Translationally invariant lattices with flat bands (FB) in their band structure possess irreducible compact localized flat band states, which can be understood through local rotation to a Fano structure. We present extension of these quasi-1D FB structures under incommensurate lattices, reporting on the FB effects to the Metal-Insulator Transition.

  3. Exobiopolymer production of Ophiocordyceps dipterigena BCC 2073: optimization, production in bioreactor and characterization

    Directory of Open Access Journals (Sweden)

    Prathumpai Wai

    2010-07-01

    Full Text Available Abstract Background Biopolymers have various applications in medicine, food and petroleum industries. The ascomycetous fungus Ophiocordyceps dipterigena BCC 2073 produces an exobiopolymer, a (1→3-β-D-glucan, in low quantity under screening conditions. Optimization of O. dipterigena BCC 2073 exobiopolymer production using experimental designs, a scale-up in 5 liter bioreactor, analysis of molecular weight at different cultivation times, and levels of induction of interleukin-8 synthesis are described in this study. Results In order to improve and certify the productivity of this strain, a sequential approach of 4 steps was followed. The first step was the qualitative selection of the most appropriate carbon and nitrogen sources (general factorial design and the second step was quantitative optimization of 5 physiological factors (fractional factorial design. The best carbon and nitrogen source was glucose and malt extract respectively. From an initial production of 2.53 g·L-1, over 13 g·L-1 could be obtained in flasks under the improved conditions (5-fold increase. The third step was cultivation in a 5 L bioreactor, which produced a specific growth rate, biomass yield, exobiopolymer yield and exobiopolymer production rate of 0.014 h-1, 0.32 g·g-1 glucose, 2.95 g·g biomass-1 (1.31 g·g-1 sugar, and 0.65 g.(L·d-1, respectively. A maximum yield of 41.2 g·L-1 was obtained after 377 h, a dramatic improvement in comparison to the initial production. In the last step, the basic characteristics of the biopolymer were determined. The molecular weight of the polymer was in the range of 6.3 × 105 - 7.7 × 105 Da. The exobiopolymer, at 50 and 100. μg·mL-1, induced synthesis in normal dermal human fibroblasts of 2227 and 3363 pg·mL-1 interleukin-8 respectively. Conclusions High exobiopolymer yield produced by O. dipterigena BCC 2073 after optimization by qualitative and quantitative methods is attractive for various applications. It induced high

  4. Study of loop-loop and loop-edge dislocation interactions in bcc iron

    DEFF Research Database (Denmark)

    Osetsky, Y.N.; Bacon, D.J.; Gao, F.;

    2000-01-01

    Recent theoretical calculations and atomistic computer simulations have shown that one-dimensional glissile clusters of self-interstitial atoms (SIAs) play an important role in the evolution of microstructure in metals and alloys under cascade damage conditions. Recently, it has been proposed...... that the evolution of heterogeneities such as dislocation decoration and rafts has serious impacts on the mechanical properties on neutron-irradiated metals. In the present work, atomic-scale computer modelling (ASCM) has been applied to study the mechanisms for the formation of such microstructure in bcc iron...... of dislocation loops below the extra half-plane of edge dislocations. The interaction energies between loops and between an edge dislocation and loops has been calculated as a function of distance using ASCM and the results for long-range interactions are in good agreement with the results of isotropic...

  5. Further discussion of orientation relationships, surface reliefs and FCC-BCC transformations in steels

    Energy Technology Data Exchange (ETDEWEB)

    Dahmen, U. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials and Molecular Research Division; Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Mineral Engineering

    1981-04-01

    In response to a recent discussion in this journal concerning tent-shaped surface-relief effects and the mechanism of formation of Widmanstätten ferrite and lower bainite, it was shown that Bhadeshia's (1) explanation of surface reliefs is in error. A degeneracy of the fcc → hcp type does not exist for an fcc → bcc transformation. Based on a distinction between the symmetries of the matrix, the transformation product and the strain (5), a general rule was derived for the occurrence of the type of crystallographic degeneracies described by Bhadeshia. The present paper confirmed Aaronson's (4) contention that the transformation is not shear-like (martensitic) in nature but diffusion controlled. Finally, it was argued, however, that the formal treatment of diffusional transformations may involve a shear.

  6. Interactions of foreign interstitial and substitutional atoms in bcc iron from ab initio calculations

    International Nuclear Information System (INIS)

    C and N atoms are the most frequent foreign interstitial atoms (FIAs), and often incorporated into the surface layers of steels to enhance their properties by thermochemical treatments. Al, Si, Ti, V, Cr, Mn, Co, Ni, Cu, Nb and Mo are the most common alloying elements in steels, also can be called foreign substitutional atoms (FSAs). The FIA and FSA interactions play an important role in the diffusion of C and N atoms, and the microstructures and mechanical properties of surface modified layers. Ab initio calculations based on the density functional theory are carried out to investigate FIA interactions with FSA in ferromagnetic bcc iron. The FIA–FSA interactions are analyzed systematically from five aspects, including interaction energies, density of states (DOS), bond populations, electron density difference maps and local magnetic moments

  7. Properties of grain boundaries in BCC iron and iron-based alloys

    Energy Technology Data Exchange (ETDEWEB)

    Terentyev, D.; He, Xinfu

    2010-08-15

    The report contains a summary of work done within the collaboration established between SCK-CEN and CIEA, performed during the internship of Xinfu He (CIAE) in the period of September 2009 to June 2010. In this work, we have carried out an atomistic study addressing the properties of grain boundaries in BCC Fe and Fe-Cr alloys. Throughout this work we report on the structural and cohesive properties of grain boundaries; thermal stability; interaction of grain boundaries with He and diffusivity of He in the core of the grain boundaries; equilibrium segregation of Cr near the grain boundary zone; cleavage fracture of grain boundaries; influence of the Cr precipitates, voids and He bubbles on the structure and strength of grain boundaries.

  8. Atomistic studies of nucleation of He clusters and bubbles in bcc iron

    Science.gov (United States)

    Yang, L.; Deng, H. Q.; Gao, F.; Heinisch, H. L.; Kurtz, R. J.; Hu, S. Y.; Li, Y. L.; Zu, X. T.

    2013-05-01

    Atomistic simulations of the nucleation of He clusters and bubbles in bcc iron at 800 K have been carried out using the newly developed Fe-Fe interatomic potential, along with Ackland potential for the Fe-Fe interactions. Microstructure changes were analyzed in detail. We found that a He cluster with four He atoms is able to push out an iron interstitial from the cluster, creating a Frenkel pair. Small He clusters and self-interstitial atom (SIA) can migrate in the matrix, but He-vacancy (He-V) clusters are immobile. Most SIAs form clusters, and only the dislocation loops with a Burgers vector of b = 1/2 appear in the simulations. SIA clusters (or loops) are attached to He-V clusters for He implantation up to 1372 appm, while the He-V cluster-loop complexes with more than one He-V cluster are formed at the He concentration of 2057 appm and larger.

  9. Synergetic effects of Mn and Si in the interaction with point defects in bcc Fe

    Energy Technology Data Exchange (ETDEWEB)

    Bakaev, A., E-mail: abakaev@sckcen.be [SCK-CEN, Nuclear Materials Science Institute, Boeretang 200, Mol B2400 (Belgium); Center for Molecular Modeling, Department of Physics and Astronomy, Ghent University, Technologiepark 903, 9052 Zwijnaarde (Belgium); Department of Experimental Nuclear Physics, Institute of Physics, Nanotechnologies and Telecommunications, St. Petersburg State Polytechnical University, 29 Polytekhnicheskaya Str., 195251 St. Petersburg (Russian Federation); Terentyev, D. [SCK-CEN, Nuclear Materials Science Institute, Boeretang 200, Mol B2400 (Belgium); He, X. [China Institute of Atomic Energy, PO Box 275-51, 102413 Beijing (China); Van Neck, D. [Center for Molecular Modeling, Department of Physics and Astronomy, Ghent University, Technologiepark 903, 9052 Zwijnaarde (Belgium)

    2014-12-15

    The interaction of Mn, Si and Cr with a vacancy and self-interstitial defects in BCC Fe has been analyzed using ab initio calculations. While the interaction of the considered solute clusters with a single vacancy is linearly additive, there is a considerable synergetic effect in the case of self-interstitial atoms, found to bind strongly with Mn–Si pairs. The latter therefore act as deep trapping configurations for self-interstitials. At the same time, the presence of the point defects nearby weakly attractive Mn–Si pairs significantly enhances the solute–solute binding. The revealed effects are rationalized on the basis of charge density and local magnetic moment distributions.

  10. The effect of hydrogen on the electronic structure of kink in bcc iron

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The electronic structures of kinks in the [100](010) and 1/2[111](-110) edge dislocations in bcc iron containing hydrogen are investigated by means of the first-principles DMol method and the discrete variational method.The effects of hydrogen on the kinks are discussed.The results show that hydro-gen forms weak bonding states with its neighboring host atoms,and since hydrogen draws charge from its neighboring host atoms,the interactions between most of the host atoms are weakened com-pared with those of the corresponding atomic pairs in the clean kinks.This indicates that the migration of kink,i.e.the motion of dislocation,is easier in the doping hydrogen kink than in the clean kink,which may be the solid solution softening effect resulting from the impurity hydrogen.

  11. Experience and BCC subtypes as determinants of MAL-PDT response: preliminary results of a national Brazilian project.

    Science.gov (United States)

    Ramirez, Dora P; Kurachi, Cristina; Inada, Natalia M; Moriyama, Lilian T; Salvio, Ana G; Vollet Filho, José D; Pires, Layla; Buzzá, Hilde H; de Andrade, Cintia Teles; Greco, Clovis; Bagnato, Vanderlei S

    2014-03-01

    Non-melanoma skin cancer is the most prevalent cancer type in Brazil and worldwide. Photodynamic therapy (PDT) is a noninvasive technique with excellent cosmetic outcome and good curative results, when used for the initial stages of skin cancer. A Brazilian program was established to determine the efficacy of methyl aminolevulinate (MAL)-PDT, using Brazilian device and drug. The equipment is a dual device that combines the photodiagnosis, based on widefield fluorescence, and the treatment at 630nm. A protocol was defined for the treatment of basal cell carcinoma with 20% MAL cream application. The program also involves the training of the medical teams at different Brazilian regions, and with distinct facilities and previous PDT education. In this report we present the partial results of 27 centers with 366 treated BCC lesions in 294 patients. A complete response (CR) was observed in 76.5% (280/366). The better response was observed for superficial BCC, with CR 160 lesions (80.4%), when compared with nodular or pigmented BCC. Experienced centers presented CR of 85.8% and 90.6% for superficial and nodular BCC respectively. A high influence of the previous doctor experience on the CR values was observed, especially due to a better tumor selection.

  12. Lattice Gerbe Theory

    CERN Document Server

    Lipstein, Arthur E

    2014-01-01

    We formulate the theory of a 2-form gauge field on a Euclidean spacetime lattice. In this approach, the fundamental degrees of freedom live on the faces of the lattice, and the action can be constructed from the sum over Wilson surfaces associated with each fundamental cube of the lattice. If we take the gauge group to be $U(1)$, the theory reduces to the well-known abelian gerbe theory in the continuum limit. We also propose a very simple and natural non-abelian generalization with gauge group $U(N) \\times U(N)$, which gives rise to $U(N)$ Yang-Mills theory upon dimensional reduction. Formulating the theory on a lattice has several other advantages. In particular, it is possible to compute many observables, such as the expectation value of Wilson surfaces, analytically at strong coupling and numerically for any value of the coupling.

  13. Lattice Operators and Topologies

    OpenAIRE

    Eva Cogan

    2009-01-01

    Working within a complete (not necessarily atomic) Boolean algebra, we use a sublattice to define a topology on that algebra. Our operators generalize complement on a lattice which in turn abstracts the set theoretic operator. Less restricted than those of Banaschewski and Samuel, the operators exhibit some surprising behaviors. We consider properties of such lattices and their interrelations. Many of these properties are abstractions and generalizations of topological spaces. The approach is...

  14. Supersymmetry on the lattice

    CERN Document Server

    Bergner, Georg

    2016-01-01

    We discuss the motivations, difficulties and progress in the study of supersymmetric lattice gauge theories focusing in particular on ${\\cal N}=1$ and ${\\cal N}=4$ super Yang-Mills in four dimensions. Brief reviews of the corresponding lattice formalisms are given and current results are presented and discussed. We conclude with a summary of the main aspects of current work and prospects for the future.

  15. Vector Lattice Vortex Solitons

    Institute of Scientific and Technical Information of China (English)

    WANG Jian-Dong; YE Fang-Wei; DONG Liang-Wei; LI Yong-Ping

    2005-01-01

    @@ Two-dimensional vector vortex solitons in harmonic optical lattices are investigated. The stability properties of such solitons are closely connected to the lattice depth Vo. For small Vo, vector vortex solitons with the total zero-angular momentum are more stable than those with the total nonzero-angular momentum, while for large Vo, this case is inversed. If Vo is large enough, both the types of such solitons are stable.

  16. Automated Lattice Perturbation Theory

    Energy Technology Data Exchange (ETDEWEB)

    Monahan, Christopher

    2014-11-01

    I review recent developments in automated lattice perturbation theory. Starting with an overview of lattice perturbation theory, I focus on the three automation packages currently "on the market": HiPPy/HPsrc, Pastor and PhySyCAl. I highlight some recent applications of these methods, particularly in B physics. In the final section I briefly discuss the related, but distinct, approach of numerical stochastic perturbation theory.

  17. Heavy hadrons on $N_f=2$ and $2+1$ improved clover-Wilson lattices

    CERN Document Server

    Burch, Tommy

    2015-01-01

    We present the masses of singly ($B$, $B_s$, $\\Lambda_b$, $\\Sigma_b$, etc.), doubly ($B_c$, $\\eta_b$, $\\Upsilon$, $\\Xi_{bc}$, $\\Xi_{bb}$, etc.), and triply ($\\Omega_{bcc}$, $\\Omega_{bbc}$, $\\Omega_{bbb}$, etc.) heavy hadrons arising from (QCDSF-UKQCD) lattices with improved clover-Wilson light quarks. For the bottom quark, we use an $O(a,v^4)$-improved version of lattice NRQCD. Part of the bottomonia spectrum is used to provide an alternative scale and to determine the physical quark mass and radiative corrections used in the heavy-quark action. Results for spin splittings, opposite parities, and, in some cases, excited states are presented. Higher lying states and baryons with two light quarks appear to be especially affected by the relatively small volumes of this (initially) initial study. This and other systematics are briefly discussed.

  18. Fine lattice stochastic modeling of particle fuels in HTGR fuel elements

    International Nuclear Information System (INIS)

    There is growing interest worldwide in high temperature gas-cooled reactors (HTGRs) as candidates for next generation reactor systems. Either in a pebble type or in a prismatic type HTGR, coated particle fuel (TRISO fuel) appears to be the most promising fuel candidate to be used. For design and analysis of such a reactor, transport models, in particular, stochastic models that permit the simulation of neutron transport through the stochastic mixture of fuel and moderator materials, are becoming essential and gaining importance. Naturally, the Monte Carlo methods have been used for this situation. However, the methods reported in the literature all have their own deficiencies. In this thesis, we propose a new Monte Carlo method named fine lattice stochastic (FLS) modeling that is distinct from others. This method is based on fine lattice system in which a lattice circumscribes a fuel particle. Once the problem is given, an interface Fortran code gives out the TRISO particle fuel configurations (a set of lattice center points only) for MCNP input. The number of available lattice center points is far larger than the number of fuel particles according to packing fraction of the fuel element. We apply discrete random sampling here to choose a certain number of lattices to fill with fuel particles. In this aspect, FLS modeling allows more realistic fuel particle distributions. In this thesis, only simple cube (SC) structure is used in cubic lattice. However, FLS model can be easily extended to BCC, FCC structures or hexagonal prism type lattice. The criticality calculations for our FLS modeling were first tested on a small cube problem and compared with other models. The results indicate that the new stochastic model is an accurate and efficient approach to analyze TRISO particle fuel configurations. Then the FLS modeling was performed to analyze HTGR fuel elements for both pebble type and prismatic type and the results were also good as expected

  19. Ion irradiation effects on high purity bcc Fe and model FeCr alloys

    International Nuclear Information System (INIS)

    FeCr binary alloys are a simple representative of the reduced activation ferritic/martensitic (F-M) steels, which are currently the most promising candidates as structural materials for the sodium cooled fast reactors (SFR) and future fusion systems. However, the impact of Cr on the evolution of the irradiated microstructure in these materials is not well understood in these materials. Moreover, particularly for fusion applications, the radiation damage scenario is expected to be complicated further by the presence of large quantities of He produced by the nuclear transmutation (∼ 10 appm He/dpa). Within this context, an elaborate ion irradiation study was performed at 500 C on a wide variety of high purity FeCr alloys (with Cr content ranging from ∼ 3 wt.% to 14 wt.%) and a bcc Fe, to probe in detail the influence of Cr and He on the evolution of microstructure. The irradiations were performed using Fe self-ions, in single beam mode and in dual beam mode (damage by Fe ions and co-implantation of He), to separate ballistic damage effect from the impact of simultaneous He injection. Three different dose ranges were studied: high dose (157 dpa, 17 appm He/dpa for the dual beam case), intermediate dose (45 dpa, 57 appm He/dpa for dual beam case) and in-situ low dose (0.33 dpa, 3030 appm He/dpa for the dual beam case). The experiments were performed at the JANNuS triple beam facility and dual beam in situ irradiation facility at CEA-Saclay and CSNSM, Orsay respectively. The microstructure was principally characterized by conventional TEM, APT and EDS in STEM mode. The main results are as follows: 1) A comparison of the cavity microstructure in high dose irradiated Fe revealed strong swelling reduction by the addition of He. It was achieved by a drastic reduction in cavity sizes and an increased number density. This behaviour was observed all along the damage depth, up to the damage peak. 2) Cavity microstructure was also studied in the dual beam high dose

  20. Graphene antidot lattice waveguides

    DEFF Research Database (Denmark)

    Pedersen, Jesper Goor; Gunst, Tue; Markussen, Troels;

    2012-01-01

    We introduce graphene antidot lattice waveguides: nanostructured graphene where a region of pristine graphene is sandwiched between regions of graphene antidot lattices. The band gaps in the surrounding antidot lattices enable localized states to emerge in the central waveguide region. We model...... the waveguides via a position-dependent mass term in the Dirac approximation of graphene and arrive at analytical results for the dispersion relation and spinor eigenstates of the localized waveguide modes. To include atomistic details we also use a tight-binding model, which is in excellent agreement...... with the analytical results. The waveguides resemble graphene nanoribbons, but without the particular properties of ribbons that emerge due to the details of the edge. We show that electrons can be guided through kinks without additional resistance and that transport through the waveguides is robust against...

  1. Digital lattice gauge theories

    CERN Document Server

    Zohar, Erez; Reznik, Benni; Cirac, J Ignacio

    2016-01-01

    We propose a general scheme for a digital construction of lattice gauge theories with dynamical fermions. In this method, the four-body interactions arising in models with $2+1$ dimensions and higher, are obtained stroboscopically, through a sequence of two-body interactions with ancillary degrees of freedom. This yields stronger interactions than the ones obtained through pertubative methods, as typically done in previous proposals, and removes an important bottleneck in the road towards experimental realizations. The scheme applies to generic gauge theories with Lie or finite symmetry groups, both Abelian and non-Abelian. As a concrete example, we present the construction of a digital quantum simulator for a $\\mathbb{Z}_{3}$ lattice gauge theory with dynamical fermionic matter in $2+1$ dimensions, using ultracold atoms in optical lattices, involving three atomic species, representing the matter, gauge and auxiliary degrees of freedom, that are separated in three different layers. By moving the ancilla atoms...

  2. Angles in hyperbolic lattices

    DEFF Research Database (Denmark)

    Södergren, Carl Anders; Risager, Morten S.

    2015-01-01

    It is well known that the angles in a lattice acting on hyperbolic n -space become equidistributed. In this paper we determine a formula for the pair correlation density for angles in such hyperbolic lattices. Using this formula we determine, among other things, the asymptotic behavior...... of the density function in both the small and large variable limits. This extends earlier results by Boca, Pasol, Popa and Zaharescu and Kelmer and Kontorovich in dimension 2 to general dimension n . Our proofs use the decay of matrix coefficients together with a number of careful estimates, and lead...

  3. Exact Lattice Supersymmetry

    Energy Technology Data Exchange (ETDEWEB)

    Catterall, Simon; Kaplan, David B.; Unsal, Mithat

    2009-03-31

    We provide an introduction to recent lattice formulations of supersymmetric theories which are invariant under one or more real supersymmetries at nonzero lattice spacing. These include the especially interesting case of N = 4 SYM in four dimensions. We discuss approaches based both on twisted supersymmetry and orbifold-deconstruction techniques and show their equivalence in the case of gauge theories. The presence of an exact supersymmetry reduces and in some cases eliminates the need for fine tuning to achieve a continuum limit invariant under the full supersymmetry of the target theory. We discuss open problems.

  4. Electronic structure of nanosized bcc Cu precipitates in Fe-Cu alloys studied by positron 2D-ACAR

    International Nuclear Information System (INIS)

    Based on the finding with the use of the coincidence Doppler measurements that the nanosized Cu precipitates are coherently embedded in the Fe-Cu matrix alloy, taking a bcc structure and acting as efficient positron traps, we measured 2D-ACARs of carefully grown and heat treated single crystals of Fe-Cu. We found that the precipitates have a Fermi surface with 12 necks touching the {110} Bragg planes of the bcc Brillouin zone, which contrasts distinctly with that of the bulk Cu with 8 necks touching the {111} Bragg planes of the fcc Brillouin zone. The 3 dimensional momentum reconstruction of the 2D-ACAR data showed that the Fermi surface cutoff of the Cu precipitates is blurred considerably as compared with that of bulk fcc Cu, suggesting a marked size effect in the momentum distribution. (orig.)

  5. A unified relation for the solid-liquid interface free energy of pure FCC, BCC, and HCP metals.

    Science.gov (United States)

    Wilson, S R; Mendelev, M I

    2016-04-14

    We study correlations between the solid-liquid interface (SLI) free energy and bulk material properties (melting temperature, latent heat, and liquid structure) through the determination of SLI free energies for bcc and hcp metals from molecular dynamics (MD) simulation. Values obtained for the bcc metals in this study were compared to values predicted by the Turnbull, Laird, and Ewing relations on the basis of previously published MD simulation data. We found that of these three empirical relations, the Ewing relation better describes the MD simulation data. Moreover, whereas the original Ewing relation contains two constants for a particular crystal structure, we found that the first coefficient in the Ewing relation does not depend on crystal structure, taking a common value for all three phases, at least for the class of the systems described by embedded-atom method potentials (which are considered to provide a reasonable approximation for metals).

  6. An Algorithm on Generating Lattice Based on Layered Concept Lattice

    Directory of Open Access Journals (Sweden)

    Zhang Chang-sheng

    2013-08-01

    Full Text Available Concept lattice is an effective tool for data analysis and rule extraction, a bottleneck factor on impacting the applications of concept lattice is how to generate lattice efficiently. In this paper, an algorithm LCLG on generating lattice in batch processing based on layered concept lattice is developed, this algorithm is based on layered concept lattice, the lattice is generated downward layer by layer through concept nodes and provisional nodes in current layer; the concept nodes are found parent-child relationships upward layer by layer, then the Hasse diagram of inter-layer connection is generated; in the generated process of the lattice nodes in each layer, we do the pruning operations dynamically according to relevant properties, and delete some unnecessary nodes, such that the generating speed is improved greatly; the experimental results demonstrate that the proposed algorithm has good performance.

  7. Higher-order elastic constants and megabar pressure effects of bcc tungsten: Ab initio calculations

    Science.gov (United States)

    Vekilov, Yu. Kh.; Krasilnikov, O. M.; Lugovskoy, A. V.; Lozovik, Yu. E.

    2016-09-01

    The general method for the calculation of n th (n ≥2 ) order elastic constants of the loaded crystal is given in the framework of the nonlinear elasticity theory. For the crystals of cubic symmetry under hydrostatic compression, the two schemes of calculation of the elastic constants of second, third, and fourth order from energy-finite strain relations and stress-finite strain relations are implemented. Both techniques are applied for the calculation of elastic constants of orders from second to fourth to the bcc phase of tungsten at a 0-600 GPa pressure range. The energy and stress at the various pressures and deformations are obtained ab initio in the framework of projector augmented wave+generalized gradient approximation (PAW+GGA) method, as implemented in Vienna Ab initio Simulation Package (VASP) code. Using the obtained results, we found the pressure dependence of Grüneisen parameters for long-wave acoustic modes in this interval. The Lamé constants of second and third order were estimated for polycrystalline tungsten. The proposed method is applicable for crystals with arbitrary symmetry.

  8. Phonon spectrum and related thermodynamic properties of microcrack in bcc-Fe

    Science.gov (United States)

    Cao, Li-Xia; Wang, Chong-Yu

    2006-09-01

    The phonon spectrum and the related thermodynamic properties of microcracks in bcc-Fe are studied with the recursion method by using the Finnis-Sinclair (F-S) N-body potential. The initial configuration of the microcracks is established from an anisotropic linear elastic solution and relaxed to an equilibrium by molecular dynamics method. It is shown that the local vibrational density of states of the atoms near a crack tip is considerably different from the bulk phonon spectrum, which is closely associated with the local stress field around the crack tip; meanwhile, the local vibrational energies of atoms near the crack tip are higher than those of atoms in a perfect crystal. These results imply that the crack tip zone is in a complex stress state and closely related to the structure evolution of cracks. It is also found that the phonon excitation is a kind of local effect induced by microcracks. In addition, the microcrack system has a higher vibrational entropy, which reflects the character of phonon spectrum related to the stress field induced by cracks.

  9. Phonon spectrum and related thermodynamic properties of microcrack in bcc-Fe

    Institute of Scientific and Technical Information of China (English)

    Cao Li-Xia; Wang Chong-Yu

    2006-01-01

    The phonon spectrum and the related thermodynamic properties of microcracks in bcc-Fe are studied with the recursion method by using the Finnis-Sinclair (F-S) N-body potential. The initial configuration of the microcracks is established from an anisotropic linear elastic solution and relaxed to an equilibrium by molecular dynamics method.It is shown that the local vibrational density of states of the atoms near a crack tip is considerably different from the bulk phonon spectrum, which is closely associated with the local stress field around the crack tip; meanwhile, the local vibrational energies of atoms near the crack tip are higher than those of atoms in a perfect crystal. These results imply that the crack tip zone is in a complex stress state and closely related to the structure evolution of cracks. It is also found that the phonon excitation is a kind of local effect induced by microcracks. In addition, the microcrack system has a higher vibrational entropy, which reflects the character of phonon spectrum related to the stress field induced by cracks.

  10. Grain Size Dependence of Uniform Elongation in Single-Phase FCC/BCC Metals

    Science.gov (United States)

    Liu, Haiting; Shen, Yao; Ma, Jiawei; Zheng, Pengfei; Zhang, Lei

    2016-09-01

    We studied the dependence of uniform elongation on grain size in the range of submicron to millimeter for single-phase FCC/BCC metals by reviewing recent experimental results and applying crystal plasticity finite element method simulation. In the order of increasing grain size, uniform elongation can be divided into three stages, namely low elongation stage, nearly constant elongation stage, and decreased elongation with large scatters stage. Low elongation stage features a dramatic increase near the critical grain size at the end of the stage, which is primarily attributed to the emergence of dislocation cell size transition from ultrafine to mid-size grain. Other factors can be neglected due to their negligible influence on overall variation trend. In nearly constant elongation stage, uniform elongation remains unchanged at a high level in general. As grain size keeps growing, uniform elongation starts decreasing and becomes scattered upon a certain grain size, indicating the initiation of decreased elongation with large scatters stage. It is shown that the increase is not linear or smooth but rather sharp at the end of low elongation stage, leading to a wider range in nearly constant elongation stage. The grain size dependence of uniform elongation can serve as a guiding principle for designing small uniaxial tensile specimens for mechanical testing, where size effect matters in most cases.

  11. Spin dynamics studies of single Fe and Ni impurity in bcc iron (abstract)

    Energy Technology Data Exchange (ETDEWEB)

    Sabiryanov, R.; Jaswal, S.S. [Center for Materials Research and Analysis, University of Nebraska, Lincoln, Nebraska 68588-0111 (United States); Antropov, V.P.; Harmon, B.N.; Liu, S. [Ames Laboratory and Physics Department of ISU, Ames, Iowa 50011 (United States)

    1997-04-01

    Spin dynamics based on a quasiclassical approximation is used to study a single Fe or Ni magnetic impurity in ferromagnetic bcc iron. The optimization of the magnetic structure of the impurity includes quantum effects such as spatial spin inhomogeneity and different orbital contributions. The Pauli equation for noncollinear magnetic configuration is solved for each impurity. When rotated from ferromagnetic ordering, Fe and Ni impurities show different behavior. The Fe moment remains almost unchanged through a rotation of 0.6{pi} radians and drops to zero when the rotation is increased to 0.72{pi} radians. This behavior is primarily due to the interplay of more localized e{sub g} states and itinerant t{sub 2g} states. On the other hand, the Ni moment drops continuously with rotation, going to zero at 0.5{pi} radians. The different degrees of localization of Ni and Fe moments are analyzed in terms of different spatial anisotropy of magnetization density. The inhomogeneous spin space configurations are presented and analyzed using corresponding space dependent exchange integrals. {copyright} {ital 1997 American Institute of Physics.}

  12. AB INITIO CALCULATIONS OF ELASTIC CONSTANTS OF BCC V-NB SYSTEM AT HIGH PRESSURES

    Energy Technology Data Exchange (ETDEWEB)

    Landa, A; Klepeis, J; Soderlind, P; Naumov, I; Velikokhatnyi, O; Vitos, L; Ruban, A

    2005-05-02

    First-principles total energy calculation based on the exact muffin-tin orbital and full potential linear muffin-tin orbital methods were used to calculate the equation of state and shear elastic constants of bcc V, Nb, and the V{sub 95}Nb{sub 05} disordered alloy as a function of pressure up to 6 Mbar. We found a mechanical instability in C{sub 44} and a corresponding softening in C at pressures {approx} 2 Mbar for V. Both shear elastic constants show softening at pressures {approx} 0.5 Mbar for Nb. Substitution of 5 at. % of V with Nb removes the instability of V with respect to trigonal distortions in the vicinity of 2 Mbar pressure, but still leaves the softening of C{sub 44} in this pressure region. We argue that the pressure induced shear instability (softening) of V (Nb) originates from the electronic system and can be explained by a combination of the Fermi surface nesting, electronic topological transition, and band Jahn-Teller effect.

  13. Calculation of the surface energy of bcc-metals with the empirical electron theory

    International Nuclear Information System (INIS)

    We have used the dangling bond analysis method (DBAM) based on the empirical electron theory (EET) to establish a database of surface energy for low index surfaces of the bcc-metals such as V, Cr, Fe, Nb, Mo, Ta, and W. And a brief introduction of the new surface energy models will be presented in this paper. Under the first-order approximation the calculated results are in agreement with experimental and other theoretical values. And the calculated surface energy shows a strong anisotropy. As we predicted, the surface energy of the close-packed (1 1 0) is the lowest one of all index surfaces. It is also found that the dangling bond electron density and the spatial distribution of covalent bonds have a great influence on surface energy of various index surfaces. The new calculation method for the research of surface energy provides a good basis for models of surface science phenomena, and the model may be extended to the surface energy estimation of more metals, alloys, ceramics, and so on, since abundant information about the valence electronic structure (VES) can be generated from EET.

  14. STUDY OF TEXTURE EFFECT ON STRAIN LOCALIZATION OF BCC STEEL SHEETS

    Institute of Scientific and Technical Information of China (English)

    Xie Chunlei; Eiji Nakamachi; Dong Xianghuai

    2000-01-01

    Using elastic crystalline viscoplastic finite element (FE) annlysis, the formability of BCC steel sheets was assessed. An orientation probability assignment method in the FE modeling procedure, which can be categorized as an inhomogenized material modeling, was newly proposed. In the study, the crystal orientations of three materials, mild steel, dual phase steel and the high strength steel, were obtained by X ray diffraction and orientation distribution function (ODF) analyses. The measured ODF results have revealed clearly different textures in the sheets, featured by orientation fibers, skeleton lines and selected orientations in Euler angle space, which are closely related to the plastic anisotropy. Then, the crystal orientations were assigned to FE integration points by using this ODF data, individually. The FE analyses of the standard lim iting dome height(LDH) test show how the fiber textures affect the extent of strain localization in the forming processes. It was confirmed by comparison with experimental results that this FE code could predict the ex treme strain localization and assess the sheet formability.

  15. Atomic-scale simulations of material behaviors and tribology properties for BCC metal film

    Science.gov (United States)

    H, D. Aristizabal; P, A. Parra; P, López; E, Restrepo-Parra

    2016-01-01

    This work has two main purposes: (i) introducing the basic concepts of molecular dynamics analysis to material scientists and engineers, and (ii) providing a better understanding of instrumented indentation measurements, presenting an example of nanoindentation and scratch test simulations. To reach these purposes, three-dimensional molecular dynamics (MD) simulations of nanoindentation and scratch test technique were carried out for generic thin films that present BCC crystalline structures. Structures were oriented in the plane (100) and placed on FCC diamond substrates. A pair wise potential was employed to simulate the interaction between atoms of each layer and a repulsive radial potential was used to represent a spherical tip indenting the sample. Mechanical properties of this generic material were obtained by varying the indentation depth and dissociation energy. The load-unload curves and coefficient of friction were found for each test; on the other hand, dissociation energy was varied showing a better mechanical response for films that present grater dissociation energy. Structural change evolution was observed presenting vacancies and slips as the depth was varied. Project supported by la DirecciónNacional de Investigación of the Universidad Nacional de Colombia, “the Theoretical Study of Physical Properties of Hard Materials for Technological Applications” (Grant No. 20101007903).

  16. A new mechanism of loop formation and transformation in bcc iron without dislocation reaction

    Science.gov (United States)

    Chen, J.; Gao, N.; Jung, P.; Sauvage, T.

    2013-10-01

    Structure and kinetics of dislocation loops in α-Fe is an active field in material science, due to their implications on fundamental understanding as well as application of structural materials in irradiation environments. Recent computer simulations provoke new conceptions, which call for experimental verification. The present investigation reports transmission electron microscopy of small interstitial dislocation loops (2.5-10 nm diameters) in bcc iron, irradiated with 25 MeV α-particles at 573 K up to 0.13 dpa. The observed and ½ loops have habit planes of (1 0 0), and (1 1 0), (1 1 1) and (2 1 1), respectively. Furthermore it is observed that loops also contain ½{2 1 1} and {1 0 0} components which are considered as intermediate stages of transformation of ½ loops to . Based on these observations, a new mechanism of loop formation and transformation by self-interstitial atoms aggregation is proposed, with concurrent molecular dynamic simulations supporting the kinetic feasibility of the proposed process.

  17. Optimality and uniqueness of the Leech lattice among lattices

    OpenAIRE

    Cohn, Henry; Kumar, Abhinav

    2004-01-01

    We prove that the Leech lattice is the unique densest lattice in R^24. The proof combines human reasoning with computer verification of the properties of certain explicit polynomials. We furthermore prove that no sphere packing in R^24 can exceed the Leech lattice's density by a factor of more than 1+1.65*10^(-30), and we give a new proof that E_8 is the unique densest lattice in R^8.

  18. The fcc-bcc crystallographic orientation relationship in AlxCoCrFeNi high-entropy alloys

    NARCIS (Netherlands)

    Rao, J. C.; Ocelik, V.; Vainchtein, D.; Tang, Z.; Liaw, P. K.; De Hosson, J. Th. M.

    2016-01-01

    This paper concentrates on the crystallographic-orientation relationship between the various phases in the Al-Co-Cr-Fe-Ni high-entropy alloys. Two types of orientation relationships of bcc phases (some with ordered B2 structures) and fcc matrix were observed in Al0.5CoCrFeNi and Al0.7CoCrFeNi alloys

  19. The JKJ Lattice

    Science.gov (United States)

    Shigaki, Kenta; Noda, Fumiaki; Yamamoto, Kazami; Machida, Shinji; Molodojentsev, Alexander; Ishi, Yoshihiro

    2002-12-01

    The JKJ high-intensity proton accelerator facility consists of a 400-MeV linac, a 3-GeV 1-MW rapid-cycling synchrotron and a 50-GeV 0.75-MW synchrotron. The lattice and beam dynamics design of the two synchrotrons are reported.

  20. Lattice String Field Theory

    OpenAIRE

    Bursa, Francis; Kroyter, Michael

    2010-01-01

    String field theory is a candidate for a full non-perturbative definition of string theory. We aim to define string field theory on a space-time lattice to investigate its behaviour at the quantum level. Specifically, we look at string field theory in a one dimensional linear dilaton background. We report the first results of our simulations.

  1. Fibonacci Optical Lattices

    Science.gov (United States)

    Singh, Kevin; Geiger, Zachary; Senaratne, Ruwan; Rajagopal, Shankari; Fujiwara, Kurt; Weld, David; Weld Group Team

    2015-05-01

    Quasiperiodicity is intimately involved in quantum phenomena from localization to the quantum Hall effect. Recent experimental investigation of quasiperiodic quantum effects in photonic and electronic systems have revealed intriguing connections to topological phenomena. However, such experiments have been limited by the absence of techniques for creating tunable quasiperiodic structures. We propose a new type of quasiperiodic optical lattice, constructed by intersecting a Gaussian beam with a 2D square lattice at an angle with an irrational tangent. The resulting potential, a generalization of the Fibonacci lattice, is a physical realization of the mathematical ``cut-and-project'' construction which underlies all quasiperiodic structures. Calculation of the energies and wavefunctions of atoms loaded into the proposed quasiperiodic lattice demonstrate a fractal energy spectrum and the existence of edge states. We acknowledge support from the ONR (award N00014-14-1-0805), the ARO and the PECASE program (award W911NF-14-1-0154), the AFOSR (award FA9550-12-1-0305), and the Alfred P. Sloan foundation (grant BR2013-110).

  2. LED体三维显示BCC采样体素化%BCC Sampling Voxelization in LED 3D Display

    Institute of Scientific and Technical Information of China (English)

    林品武; 孔凡国; 魏盼盼

    2014-01-01

    In order to reduce the number of voxels and improve the accuracy in the LED 3D display ,BCC sampling methods is used . The"cow"model is taken as an example ,compared with the Cartesian sampling ,BCC sampling with the same number of samples reduces the voxels by 27 .6% .When the number of samples by BCC reduce to 70% of the Cartesian samples ,the voxels can be reduced by 43 .4% .%在L ED立方体三维显示中,为了减少体素量和提高精度,采用BCC栅格采样方法。以“牛”模型进行实验,对比笛卡尔采样, BCC采样在采样点数量相等的前提下体素量减少27.6%;将BCC栅格的采样点数量降低到笛卡尔栅格采样点数量的70%后, BCC采样得到的体素模型实际体素量要比笛卡尔采样得到的体素量减少43.4%。

  3. Evaluation of the summer precipitation over China simulated by BCC_CSM model with different horizontal resolutions during the recent half century

    Science.gov (United States)

    Kan, Mengyun; Huang, Anning; Zhao, Yong; Zhou, Yang; Yang, Ben; Wu, Haomin

    2015-05-01

    The performance of Beijing Climate Center climate system model with different horizontal resolutions (BCC_CSM1.1 with coarse resolution and BCC_CSM1.1 m with fine resolution) in simulating the summer precipitation over China during the recent half century is evaluated, and the possible underlying physical mechanisms related to the model biases are also further analyzed and discussed. Results show that increasing horizontal resolution does improve the summer precipitation simulation over most part of China especially in western China due to the more realistic description of the topography. However, the summer precipitation amount (PA) over eastern China characterized by monsoonal climates is much more underestimated in the finer resolution model. It is also noted that the improvement (deterioration) of the summer PA over western (eastern) China in BCC_CSM1.1 m model is mainly due to the better (worse) simulation of the moderate and heavy precipitation relative to BCC_CSM1.1 model. In addition, increasing model horizontal resolution can significantly improve the convective precipitation simulation especially over western China but shows very limited improvement in the large-scale precipitation simulation. The much more underestimated summer PA over eastern China in BCC_CSM1.1 m model relative to BCC_CSM1.1 model is due to the significantly reduced positive biases of the convective PA but few changes in the negative biases of the large-scale PA. Further mechanism analysis suggests that both the underestimated land-sea thermal contrast and the overestimated Western Pacific subtropical high result in much less northeastward water vapor transport and summer PA over eastern China in BCC_CSM1.1 m model than in BCC_CSM1.1 model.

  4. Spin qubits in antidot lattices

    DEFF Research Database (Denmark)

    Pedersen, Jesper Goor; Flindt, Christian; Mortensen, Niels Asger;

    2008-01-01

    and density of states for a periodic potential modulation, referred to as an antidot lattice, and find that localized states appear, when designed defects are introduced in the lattice. Such defect states may form the building blocks for quantum computing in a large antidot lattice, allowing for coherent...

  5. Basis reduction for layered lattices

    NARCIS (Netherlands)

    Torreão Dassen, Erwin

    2011-01-01

    We develop the theory of layered Euclidean spaces and layered lattices. We present algorithms to compute both Gram-Schmidt and reduced bases in this generalized setting. A layered lattice can be seen as lattices where certain directions have infinite weight. It can also be interpre

  6. Design and Development of bcc-Copper- and B2 Nickel-Aluminium-Precipitation-Strengthened Ferritic Steel

    Science.gov (United States)

    Kapoor, Monica

    A series of high-strength low-carbon bcc-Cu- & B2-NiAl-precipitation-strengthened ferritic steels with Mn, Cu, Ni and Al were studied. The yield strength of these alloys increases with the amount of alloying elements. A maximum strength of 1600 MPa, with 12.40 at. % elements, is achieved which is about 30 % higher than the strength of previously reports NUCu (Northwestern Copper) alloys. All the alloys studied attain a maximum hardness within 1--2 h of aging at 500°C--550°C. Aging at a lower temperature and solution treating at a higher temperature can increase the hardness of all the alloys. The lower aging temperature is limited to 500°C by the slow precipitation kinetics observed at 400°C. The higher solution treatment temperature is limited to 1050°C by the adverse impact on toughness in dilute alloys. The primary strengthening contribution is due to combined precipitation of bcc Cu and NiAl-type intermetallic precipitates. The composition, structure and morphology evolution of the precipitates from the 1600 MPa alloy was studied using atom probe tomography and transmission electron microscopy, as a function of aging time at 550°C. Near the peak hardness, the equiaxed bcc Cu-alloyed precipitates have substantial amounts of Fe and are coherent with the Fe matrix. On subsequent aging, the Cu-alloyed precipitates are progressively enriched with Cu and elongate to transform to the 9R phase. The number density of the Cu-alloyed and NiAl-type precipitate is similar near peak hardness indicating that NiAl-type precipitates nucleate on Cu-alloyed precipitates. Almost all Cu-alloyed precipitates are enveloped on one side by ordered NiAl-type precipitates after aging from 2 h to 100 h. Cu-alloyed precipitates coarsen slower than NiAl-type precipitates because of three possible reasons: interfacial energy differences between the two types of precipitates, slower diffusion kinetics of Cu through the ordered B2 NiAl envelope around the bcc Cu-alloyed precipitate

  7. Lattices of dielectric resonators

    CERN Document Server

    Trubin, Alexander

    2016-01-01

    This book provides the analytical theory of complex systems composed of a large number of high-Q dielectric resonators. Spherical and cylindrical dielectric resonators with inferior and also whispering gallery oscillations allocated in various lattices are considered. A new approach to S-matrix parameter calculations based on perturbation theory of Maxwell equations, developed for a number of high-Q dielectric bodies, is introduced. All physical relationships are obtained in analytical form and are suitable for further computations. Essential attention is given to a new unified formalism of the description of scattering processes. The general scattering task for coupled eigen oscillations of the whole system of dielectric resonators is described. The equations for the  expansion coefficients are explained in an applicable way. The temporal Green functions for the dielectric resonator are presented. The scattering process of short pulses in dielectric filter structures, dielectric antennas  and lattices of d...

  8. Lattice Quantum Chromodynamics

    Science.gov (United States)

    Sachrajda, C. T.

    2016-10-01

    I review the the application of the lattice formulation of QCD and large-scale numerical simulations to the evaluation of non-perturbative hadronic effects in Standard Model Phenomenology. I present an introduction to the elements of the calculations and discuss the limitations both in the range of quantities which can be studied and in the precision of the results. I focus particularly on the extraction of the QCD parameters, i.e. the quark masses and the strong coupling constant, and on important quantities in flavour physics. Lattice QCD is playing a central role in quantifying the hadronic effects necessary for the development of precision flavour physics and its use in exploring the limits of the Standard Model and in searches for inconsistencies which would signal the presence of new physics.

  9. Varieties of lattices

    CERN Document Server

    Jipsen, Peter

    1992-01-01

    The study of lattice varieties is a field that has experienced rapid growth in the last 30 years, but many of the interesting and deep results discovered in that period have so far only appeared in research papers. The aim of this monograph is to present the main results about modular and nonmodular varieties, equational bases and the amalgamation property in a uniform way. The first chapter covers preliminaries that make the material accessible to anyone who has had an introductory course in universal algebra. Each subsequent chapter begins with a short historical introduction which sites the original references and then presents the results with complete proofs (in nearly all cases). Numerous diagrams illustrate the beauty of lattice theory and aid in the visualization of many proofs. An extensive index and bibliography also make the monograph a useful reference work.

  10. Lattice QCD for Cosmology

    CERN Document Server

    Borsanyi, Sz; Kampert, K H; Katz, S D; Kawanai, T; Kovacs, T G; Mages, S W; Pasztor, A; Pittler, F; Redondo, J; Ringwald, A; Szabo, K K

    2016-01-01

    We present a full result for the equation of state (EoS) in 2+1+1 (up/down, strange and charm quarks are present) flavour lattice QCD. We extend this analysis and give the equation of state in 2+1+1+1 flavour QCD. In order to describe the evolution of the universe from temperatures several hundreds of GeV to several tens of MeV we also include the known effects of the electroweak theory and give the effective degree of freedoms. As another application of lattice QCD we calculate the topological susceptibility (chi) up to the few GeV temperature region. These two results, EoS and chi, can be used to predict the dark matter axion's mass in the post-inflation scenario and/or give the relationship between the axion's mass and the universal axionic angle, which acts as a initial condition of our universe.

  11. Lattice Quantum Chromodynamics

    CERN Document Server

    Sachrajda, C T

    2016-01-01

    I review the the application of the lattice formulation of QCD and large-scale numerical simulations to the evaluation of non-perturbative hadronic effects in Standard Model Phenomenology. I present an introduction to the elements of the calculations and discuss the limitations both in the range of quantities which can be studied and in the precision of the results. I focus particularly on the extraction of the QCD parameters, i.e. the quark masses and the strong coupling constant, and on important quantities in flavour physics. Lattice QCD is playing a central role in quantifying the hadronic effects necessary for the development of precision flavour physics and its use in exploring the limits of the Standard Model and in searches for inconsistencies which would signal the presence of new physics.

  12. Introduction to lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, R.

    1998-12-31

    The goal of the lectures on lattice QCD (LQCD) is to provide an overview of both the technical issues and the progress made so far in obtaining phenomenologically useful numbers. The lectures consist of three parts. The author`s charter is to provide an introduction to LQCD and outline the scope of LQCD calculations. In the second set of lectures, Guido Martinelli will discuss the progress they have made so far in obtaining results, and their impact on Standard Model phenomenology. Finally, Martin Luescher will discuss the topical subjects of chiral symmetry, improved formulation of lattice QCD, and the impact these improvements will have on the quality of results expected from the next generation of simulations.

  13. SSC test lattices

    International Nuclear Information System (INIS)

    A set of eight test lattices for the SSC have been devised for such purposes as the investigation of the dependences of chromatic properties and dynamic aperture on the type, field, physical aperture and errors of the magnets, on the sextupole correction scheme, on the tunes and on the cell phase advances. They are distinguished from realistic lattices in that certain features of the latter are missing - most notably the crossing magnets that bring the two counter-rotating proton beams into collision at the interaction points, and the utility insertions, which are the sites for the injection, beam abort, and radiofrequency systems. Furthermore the placement of magnets in the cells is simplified. 7 refs., 9 figs., 2 tabs

  14. Introduction to lattice QCD

    International Nuclear Information System (INIS)

    The goal of the lectures on lattice QCD (LQCD) is to provide an overview of both the technical issues and the progress made so far in obtaining phenomenologically useful numbers. The lectures consist of three parts. The author's charter is to provide an introduction to LQCD and outline the scope of LQCD calculations. In the second set of lectures, Guido Martinelli will discuss the progress they have made so far in obtaining results, and their impact on Standard Model phenomenology. Finally, Martin Luescher will discuss the topical subjects of chiral symmetry, improved formulation of lattice QCD, and the impact these improvements will have on the quality of results expected from the next generation of simulations

  15. Homomorphisms on Lattices of Measures

    Directory of Open Access Journals (Sweden)

    Norris Sookoo

    2009-01-01

    Full Text Available Problem statement: Homomorphisms on lattices of measures defined on the quotient spaces of the integers were considered. These measures were defined in terms of Sharma-Kaushik partitions. The homomorphisms were studied in terms of their relationship with the underlying Sharma-Kaushik partitions. Approach: We defined certain mappings between lattices of Sharma-Kaushik partitions and showed that they are homomorphisms. These homomorphisms were mirrored in homorphisms between related lattices of measures. Results: We obtained the structure of certain homomorphisms of measures. Conclusion: Further information about homomorphisms between lattices of measures of the type considered here can be obtained by investigating the underlying lattices of Sharma-Kaushik partitions.

  16. Energetic stability of solute–carbon–vacancy complexes in bcc iron

    Energy Technology Data Exchange (ETDEWEB)

    Bakaev, Alexander, E-mail: alexander.bakaev@ugent.be [SCK-CEN, Nuclear Materials Science Institute, Boeretang 200, Mol B2400 (Belgium); Department of Experimental Nuclear Physics K-89, Institute of Physics, Nanotechnology and Telecommunications, St. Petersburg State Polytechnical University, 29 Polytekhnicheskaya str., 195251 St. Petersburg (Russian Federation); Center for Molecular Modeling, Department of Physics and Astronomy, Ghent University, Technologiepark 903, 9052 Zwijnaarde (Belgium); Terentyev, Dmitry [SCK-CEN, Nuclear Materials Science Institute, Boeretang 200, Mol B2400 (Belgium); Zhurkin, Evgeny E. [Department of Experimental Nuclear Physics K-89, Institute of Physics, Nanotechnology and Telecommunications, St. Petersburg State Polytechnical University, 29 Polytekhnicheskaya str., 195251 St. Petersburg (Russian Federation); Van Neck, Dimitri [Center for Molecular Modeling, Department of Physics and Astronomy, Ghent University, Technologiepark 903, 9052 Zwijnaarde (Belgium)

    2015-06-01

    The strong binding between a vacancy and carbon in bcc iron plays an important role in the evolution of radiation-induced microstructure. Our previous ab initio study points to the fact that the vacancy–carbon (V–C) pair can serve as a nucleus for the solute-rich clusters. Here, we continue the ab initio study by considering the interaction of mixed solute clusters (Mn, Ni and Si) with the V–C pair, and the interaction of typical alloying elements of Fe-based steels (i.e., Mn, Ni, Cu, Si, Cr and P) with di-carbon–vacancy pair (V–C{sub 2}). We have identified the sequence of growth of Ni, Si and Mn solute-rich clusters nucleating on the V–C pair. The mixed-solute–V–C configurations are found to be less stable clusters than pure-solute–V–C clusters with the energy difference up to 0.22 eV per four atoms. The V–C{sub 2} pair is found to be as strong nucleation site for the solute-rich clusters as the V–C pair. Only Si solute atom stands out from the trend showing a weaker affinity to the V–C{sub 2} complex by 0.09 eV compared to the attraction to the V–C pair. The overall results point to the importance of taking into account the existence of both V–C and V–C{sub 2} complexes in studying the formation of solute-rich clusters in Fe-based steels for nuclear applications.

  17. Development of a new formulation of interferons (HEBERPAG for BCC treatment

    Directory of Open Access Journals (Sweden)

    Bello-Rivero I

    2013-12-01

    Full Text Available Purpose: This work is aimed to show briefly, the clinical development of a new pharmaceutical formulation of interferons for the treatment of basal cell carcinoma. Methods: A rationale design of the combination of IFN-α2b and -γ based in their anti-proliferative synergism on several tumors cell lines identified adequate proportions to be combined to obtain the best clinical results. The potential mechanism of antitumoral effect was studied by qPCR mRNA quantification. HEBERPAG (anti-proliferative synergistic combination of co-formulated recombinant interferons-α2b and –γ was used in clinical trials in adult patients with non-melanoma skin cancer. Trials were conducted after approval by the ethics review boards of the institutions participating in trials; and the patients gave their written informed consent to be enrolled in the studies and receive HEBERPAG. Results: HEBERPAG inhibits the proliferation of several tumor cell lines in vitro and in vivo. The combination has improved pharmacodinamic properties. Several clinical trials have demonstrated the efficacy of HEBERPAG in BCC, with excellent cosmetic effect and well tolerable, mild side effects. HEBERPAG was approved by State Control Center for Drug, Medical Equipment and Devises in Cuba, for the treatment of basal cell carcinoma of any subtype, size and localization, and adjuvant to other treatments, surgical or not. After 3-year follow-up, a recurrence rate of 0.03% was detected in treated patients. Conclusions: HEBERPAG is a novel formulation of IFNs, more potent than separated IFNs for the treatment of basal cell carcinoma, with more rapid and prolonged clinical effect and excellent cosmetic effect and safety profile.

  18. Plasticity and Failure in Nanocrystalline BCC Metals via Molecular Dynamics Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Rudd, R E

    2010-09-29

    Advances in the ability to generate extremely high pressures in dynamic experiments such as at the National Ignition Facility has motivated the need for special materials optimized for those conditions as well as ways to probe the response of these materials as they are deformed. We need to develop a much deeper understanding of the behavior of materials subjected to high pressure, especially the effect of rate at the extremely high rates encountered in those experiments. Here we use large-scale molecular dynamics (MD) simulations of the high-rate deformation of nanocrystalline tantalum at pressures less than 100 GPa to investigate the processes associated with plastic deformation for strains up to 100%. We focus on 3D polycrystalline systems with typical grain sizes of 10-20 nm. We also study a rapidly quenched liquid (amorphous solid) tantalum. We apply a constant volume (isochoric), constant temperature (isothermal) shear deformation over a range of strain rates, and compute the resulting stress-strain curves to large strains for both uniaxial and biaxial compression. We study the rate dependence and identify plastic deformation mechanisms. The identification of the mechanisms is facilitated through a novel technique that computes the local grain orientation, returning it as a quaternion for each atom. This analysis technique is robust and fast, and has been used to compute the orientations on the fly during our parallel MD simulations on supercomputers. We find both dislocation and twinning processes are important, and they interact in the weak strain hardening in these extremely fine-grained microstructures. We also present some results on void growth in nanocrystalline BCC metals under tension.

  19. bcc transition metals under pressure: results from ultrasonic interferometry and diamond-cell experiments

    International Nuclear Information System (INIS)

    Hydrostatic pressure derivatives of the single-crystal elastic moduli, dC/sub ij//dP, have been measured ultrasonically for b.c.c. Nb--Mo and Ta--W solid solutions. The composition dependence of various electronic properties of these alloys is known to be reasonably well approximated by a rigid-electron-band filling model where e/a, the electron per atom ratio, is the primary parameter. The results indicate that the elastic moduli and their pressure derivatives may also be calculated in such a model. In particular, the dC/sub ij//dP show relatively sharp increases at e/a compositions of 5.4 for Nb--Mo and 5.7 for Ta--W. Both compositions correspond to changes in Fermi surface topology, as deduced from existing band calculations and the rigid band assumption. The results are discussed in the light of related electronic properties and possible geophysical applications. A comparison is also made between ultrasonic results and X-ray diffraction data for Nb. Using diamond-anvil pressure cell, compression of Nb was determined by X-ray diffraction up to 55 kbar in a liquid medium under purely hydrostatic conditions, and up to 175 kbar in a solid medium under nonhydrostatic conditions. The data obtained under hydrostatic conditions agree well with the ultrasonic equation of state and shock wave data, whereas the nonhydrostatic results tend to imply either a higher bulk modulus K/sub s/ or a higher (par. deltaK/sub s//par. deltaP)/sub T/

  20. A Simulation of the Upper-Tropospheric Temperature Pattern in BCC_CSM1.1

    Institute of Scientific and Technical Information of China (English)

    ZHOU Bo-Yao; ZHANG Li

    2012-01-01

    A simulation of the upper-tropospheric temperature (UTT) by the Beijing Climate Center Climate System Model version 1.1 (BCC_CSM1.1) model is evaluated through a comparison with NCEP/NCAR reanalysis data. It is shown that this model has the ability to simulate the climate pattern of the UTT in all four seasons. The spatial correlation on the climatological distribution between the simulation and the observation is 0.92, 0.93, 0.90, and 0.93 for spring, summer, autumn, and winter, respectively. The first leading mode of the UTT in the simulation agrees with that in the observation, except that the simulated second leading mode corresponds to the observed first leading mode in spring. The standard deviation distribution of the simulation is also roughly consistent with the observation, with a pattern coefficient of 0.82, 0.78, 0.82, and 0.82 in spring, summer, autumn, and winter, respectively. The potential UTT change in the second half of the 21st century under the Representative Concentration Pathway 8.5 (RCP8.5) scenario is examined. The prominent change is that the summer UTT will increase over Eurasia and decrease over the North Pacific compared with the present, indicating that the zonal thermal contrast between Asia and the North Pacific will be strengthened within the context of future global warming. The intensity of the interannual variability of the UTT over the Asian-Pacific region is also generally increased. The zonal thermal contrast between Asia and the North Pacific will tend to be enhanced in winter, concurrent with the intensified interannual variability.

  1. Light water lattices

    International Nuclear Information System (INIS)

    The panel was attended by prominent physicists from most of the well-known laboratories in the field of light-water lattices, who exchanged the latest information on the status of work in their countries and discussed both the theoretical and the experimental aspects of the subjects. The supporting papers covered most problems, including criticality, resonance absorption, thermal utilization, spectrum calculations and the physics of plutonium bearing systems. Refs, figs and tabs

  2. Lattice Loop Quantum Gravity

    OpenAIRE

    Aastrup, Johannes; Grimstrup, Jesper M.

    2009-01-01

    We present a separable version of Loop Quantum Gravity (LQG) based on an inductive system of cubic lattices. We construct semi-classical states for which the LQG operators -- the flux, the area and the volume operators -- have the right classical limits. Also, we present the Hamilton and diffeomorphism constraints as operator constraints and show that they have the right classical limit. Finally, we speculate whether the continuum limit, which these semi-classical states probe, can be defined...

  3. Digital lattice gauge theories

    OpenAIRE

    Zohar, Erez(Max-Planck-Institut für Quantenoptik, Hans-Kopfermann-Str. 1, D-85748, Garching, Germany); Farace, Alessandro; Reznik, Benni; Cirac, J Ignacio

    2016-01-01

    We propose a general scheme for a digital construction of lattice gauge theories with dynamical fermions. In this method, the four-body interactions arising in models with $2+1$ dimensions and higher, are obtained stroboscopically, through a sequence of two-body interactions with ancillary degrees of freedom. This yields stronger interactions than the ones obtained through pertubative methods, as typically done in previous proposals, and removes an important bottleneck in the road towards exp...

  4. Dielectric lattice gauge theory

    International Nuclear Information System (INIS)

    Dielectric lattice gauge theory models are introduced. They involve variables PHI(b)epsilong that are attached to the links b = (x+esub(μ),x) of the lattice and take their values in the linear space g which consists of real linear combinations of matrices in the gauge group G. The polar decomposition PHI(b)=U(b)osub(μ)(x) specifies an ordinary lattice gauge field U(b) and a kind of dielectric field epsilonsub(ij)proportionalosub(i)osub(j)sup(*)deltasub(ij). A gauge invariant positive semidefinite kinetic term for the PHI-field is found, and it is shown how to incorporate Wilson fermions in a way which preserves Osterwalder Schrader positivity. Theories with G = SU(2) and without matter fields are studied in some detail. It is proved that confinement holds, in the sense that Wilson loop expectation values show an area law decay, if the Euclidean action has certain qualitative features which imply that PHI = 0 (i.e. dielectric field identical 0) is the unique maximum of the action. (orig.)

  5. Robots and lattice automata

    CERN Document Server

    Adamatzky, Andrew

    2015-01-01

    The book gives a comprehensive overview of the state-of-the-art research and engineering in theory and application of Lattice Automata in design and control of autonomous Robots. Automata and robots share the same notional meaning. Automata (originated from the latinization of the Greek word “αυτόματον”) as self-operating autonomous machines invented from ancient years can be easily considered the first steps of robotic-like efforts. Automata are mathematical models of Robots and also they are integral parts of robotic control systems. A Lattice Automaton is a regular array or a collective of finite state machines, or automata. The Automata update their states by the same rules depending on states of their immediate neighbours. In the context of this book, Lattice Automata are used in developing modular reconfigurable robotic systems, path planning and map exploration for robots, as robot controllers, synchronisation of robot collectives, robot vision, parallel robotic actuators. All chapters are...

  6. 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.

  7. A Mechanical Lattice Aid for Crystallography Teaching.

    Science.gov (United States)

    Amezcua-Lopez, J.; Cordero-Borboa, A. E.

    1988-01-01

    Introduces a 3-dimensional mechanical lattice with adjustable telescoping mechanisms. Discusses the crystalline state, the 14 Bravais lattices, operational principles of the mechanical lattice, construction methods, and demonstrations in classroom. Provides lattice diagrams, schemes of the lattice, and various pictures of the lattice. (YP)

  8. The cause of anomaly of temperature dependence of electroresistance of the ordering nonstoichiometric FeCo compounds based on a b.c.c. lattice

    Energy Technology Data Exchange (ETDEWEB)

    Repetsky, S.P. [Taras Shevchenko Kyiv National University, 2 Acad. Glushkov Prosp., 03022 Kyiv (Ukraine); Melnyk, I.M. [Taras Shevchenko Kyiv National University, 2 Acad. Glushkov Prosp., 03022 Kyiv (Ukraine)], E-mail: iramel@ukr.net; Tatarenko, V.A. [Taras Shevchenko Kyiv National University, 2 Acad. Glushkov Prosp., 03022 Kyiv (Ukraine); G.V. Kurdyumov Institute for Metal Physics, N.A.S.U., 36 Acad. Vernadsky Blvd., 03142 Kyiv (Ukraine); Len, E.G. [G.V. Kurdyumov Institute for Metal Physics, N.A.S.U., 36 Acad. Vernadsky Blvd., 03142 Kyiv (Ukraine); Vyshivanaya, I.G. [Taras Shevchenko Kyiv National University, 2 Acad. Glushkov Prosp., 03022 Kyiv (Ukraine)

    2009-07-01

    A theory of energy spectrum and electrical conductivity, which takes into account the electron scattering by the potentials of ions and fluctuations of both the spin and charge densities of electrons in disordered substitutional alloys, is developed. Calculations of temperature-concentration dependence of electrical resistance were performed for b.c.c.-Fe{sub 1-c}Co{sub c} alloys. The causes of weak temperature dependence of electrical resistance of the Fe-Co alloys are governed by the presence of a quasi-gap in the electron-energy spectrum, which appears due to strong electron correlations as well as atomic and magnetic orders.

  9. A new parameterization for ice cloud optical properties used in BCC-RAD and its radiative impact

    Science.gov (United States)

    Zhang, Hua; Chen, Qi; Xie, Bing

    2015-01-01

    A new parameterization of the solar and infrared optical properties of ice clouds that considers the multiple habits of ice particles was developed on the basis of a prescribed dataset. First, the fitting formulae of the bulk extinction coefficient, single-scatter albedo, asymmetry factor, and δ-function forward-peak factor at the given 65 wavelengths as a function of effective radius were created for common scenarios, which consider a greater number of wavelengths and are more accurate than those used previously. Then, the band-averaged volume extinction and absorption coefficients, asymmetry factor and forward-peak factor of ice cloud were derived for the BCC-RAD (Beijing Climate Center radiative transfer model) using a parameter reference table. Finally, the newly developed and the original schemes in the BCC-RAD and the commonly used Fu Scheme of ice cloud were all applied to the BCC-RAD. Their influences on radiation calculations were compared using the mid-latitude summer atmospheric profile with ice clouds under no-aerosol conditions, and produced a maximum difference of approximately 30.0 W/m2 for the radiative flux, and 4.0 K/d for the heating rate. Additionally, a sensitivity test was performed to investigate the impact of the ice crystal density on radiation calculations using the three schemes. The results showed that the maximum difference was 68.1 W/m2 for the shortwave downward radiative flux (for the case of perpendicular solar insolation), and 4.2 K/d for the longwave heating rate, indicating that the ice crystal density exerts a significant effect on radiation calculations for a cloudy atmosphere.

  10. Lattice Vibrations in Chlorobenzenes:

    DEFF Research Database (Denmark)

    Reynolds, P. A.; Kjems, Jørgen; White, J. W.

    1974-01-01

    Lattice vibrational dispersion curves for the ``intermolecular'' modes in the triclinic, one molecule per unit cell β phase of p‐C6D4Cl2 and p‐C6H4Cl2 have been obtained by inelastic neutron scattering. The deuterated sample was investigated at 295 and at 90°K and a linear extrapolation to 0°K...... by consideration of electrostatic forces or by further anisotropy in the dispersion forces not described in the atom‐atom model. Anharmonic effects are shown to be large, but the dominant features in the temperature variation of frequencies are describable by a quasiharmonic model....

  11. Vibrational properties of vacancy in bcc transition metals using embedded atom method potentials

    Indian Academy of Sciences (India)

    Vandana Gairola; P D Semalty; P N Ram

    2013-06-01

    The embedded atom method (EAM) potentials, with the universal form of the embedding function along with the Morse form of pair potential, have been employed to determine the potential parameters for three bcc transition metals: Fe, Mo, and W, by fitting to Cauchy pressure $(C_{12} − C_{44})/2$, shear constants $G_{v} = (C_{11} − C_{12} + 3C_{44})/5$ and 44, cohesive energy and the vacancy formation energy. The obtained potential parameters are used to calculate the phonon dispersion spectra of these metals. Large discrepancies are found between the calculated results of phonon dispersion using the EAM and the experimental phonon dispersion results. Therefore, to overcome this inadequacy of the EAM model, we employ the modified embedded atom method (MEAM) in which a modified term along with the pair potential and embedding function is added in the total energy. The phonon dispersions calculated using potential parameters obtained from the MEAM show good agreement with experimental results compared to those obtained from the EAM. Using the calculated phonons, we evaluate the local density of states of the neighbours of vacancy using the Green’s function method. The local frequency spectrum of first neighbours of vacancy in Mo shows an increase at higher frequencies and a shift towards the lower frequencies whereas in Fe and W, the frequency spectrum shows a small decrease towards higher frequency and small shift towards lower frequency. For the second neighbours of vacancy in all the three metals, the local frequency spectrum is not much different from that of the host atom. The local density of states of the neighbours of the vacancy has been used to calculate the mean square displacements and the formation entropy of vacancy. The calculated mean square displacements of the first neighbours of vacancy are found to be higher than that of the host atom, whereas it is lower for the second neighbours. The calculated results of the formation entropy of the vacancy

  12. Spin fluctuations and alloying effects on low-temperature properties in BCC Asub(x)Bsub(1-x) compounds

    Energy Technology Data Exchange (ETDEWEB)

    Pictet, O.; Jarlborg, T.; Peter, M.

    1987-01-01

    A number of BCC alloys have been studied theoretically by self-consistent LMTO calculations using supercells of different sizes. To account for disorder effects a density-of-states broadening is used. Electron-phonon coupling, Stoner factors and superconducting transition temperatures have been calculated, including the effect of spin fluctuations. It is found that spin fluctuations are important for a good description of superconductivity. Moreover they can explain many experimental trends; in particular they show the increase of the transition temperature with pressure in NbZr compounds.

  13. A new parameterization for ice cloud optical properties used in BCC-RAD and its radiative impact

    International Nuclear Information System (INIS)

    A new parameterization of the solar and infrared optical properties of ice clouds that considers the multiple habits of ice particles was developed on the basis of a prescribed dataset. First, the fitting formulae of the bulk extinction coefficient, single-scatter albedo, asymmetry factor, and δ-function forward-peak factor at the given 65 wavelengths as a function of effective radius were created for common scenarios, which consider a greater number of wavelengths and are more accurate than those used previously. Then, the band-averaged volume extinction and absorption coefficients, asymmetry factor and forward-peak factor of ice cloud were derived for the BCC-RAD (Beijing Climate Center radiative transfer model) using a parameter reference table. Finally, the newly developed and the original schemes in the BCC-RAD and the commonly used Fu Scheme of ice cloud were all applied to the BCC-RAD. Their influences on radiation calculations were compared using the mid-latitude summer atmospheric profile with ice clouds under no-aerosol conditions, and produced a maximum difference of approximately 30.0 W/m2 for the radiative flux, and 4.0 K/d for the heating rate. Additionally, a sensitivity test was performed to investigate the impact of the ice crystal density on radiation calculations using the three schemes. The results showed that the maximum difference was 68.1 W/m2 for the shortwave downward radiative flux (for the case of perpendicular solar insolation), and 4.2 K/d for the longwave heating rate, indicating that the ice crystal density exerts a significant effect on radiation calculations for a cloudy atmosphere. - Highlights: • A new parameterization of the radiative properties of ice cloud was obtained. • More accurate fitting formulae of them were created for common scenarios. • The band-averaged of them were derived for our radiation model of BCC-RAD. • We found that there exist large differences of results among different ice schemes. • We found

  14. Choosing weights in optimal solutions for DEA-BCC models by means of a N-dimensional smooth frontier

    Directory of Open Access Journals (Sweden)

    Flávia Badini Nacif

    2009-12-01

    Full Text Available The DEA (Data Envelopment Analysis smoothed frontier was introduced to solve the problem of multiple optimal solutions in the extreme efficient DMUs (Decision Making Units, which hinders the knowledge of the substitution rates (tradeoffs. It consists of changing the original frontier (piecewise linear for a smoothed one, being as close as possible to the original one, and having continuous partial derivates at every point. First, a solution was developed only for the BCC (Banker, Charnes and Cooper model with either a single input or a single output. Then, it was generalized for the N-dimensional BCC model with simultaneous multiplicity of inputs and outputs, but limited by the fact that the polynomial of the output needs to be a linear one. The present article presents a general model, which not only expunges the limitations of the previous models but also includes them.A suavização da fronteira DEA (Data Envelopment Analysis - Análise Envoltória de Dados surgiu como uma solução do problema das múltiplas soluções ótimas nas DMUs (Decision Making Units - Unidades Tomadoras de Decisão extremo-eficientes, o que impossibilita o conhecimento das razões de substituição (tradeoffs. Ela consiste na substituição da fronteira original (linear por partes por outra suavizada, de modo que esta fronteira suavizada seja próxima da original, e que tenha derivadas contínuas em todos os pontos. Inicialmente foi desenvolvida solução apenas para o caso do modelo BCC (Banker, Charnes e Cooper com apenas um input, ou apenas um output. Em seguida obteve-se uma generalização da solução para o caso BCC N-dimensional com multiplicidade simultânea dos inputs e dos outputs, porém com a limitação da linearidade do polinômio dos outputs. O presente artigo vem apresentar um modelo geral, que elimina as limitações dos modelos anteriores, e também os engloba.

  15. Infinite magnetoresistance from the spin dependent proximity effect in symmetry driven bcc-Fe/V/Fe heteroepitaxial superconducting spin valves.

    Science.gov (United States)

    Miao, Guo-Xing; Ramos, Ana V; Moodera, Jagadeesh S

    2008-09-26

    Superconductivity in fully epitaxial bcc-Fe/V/Fe hybrid spin valve structures is influenced by the spin currents and supercurrents as well as band symmetry. The transition temperature is spin dependent in the presence of the proximity effect. A unique feature in this system is the band symmetry filtering taking place at the Fe/V interface. The absence of Delta2 Bloch states at the Fermi level in the Fe spin majority channel leads to spin selectivity and reduced transparency at the interface. Infinite magnetoresistance with clear remanence states is obtained, and implies the potential for spintronic applications. PMID:18851482

  16. 基于概念格的K-Means算法研究%Research on K-Means algorithm based on concept lattice

    Institute of Scientific and Technical Information of China (English)

    李艳霞; 史一民; 李冠宇

    2011-01-01

    Aiming at the problems of the existing K-Means algorithm, such as artificial assignation of number of final clustering, random selection of initial centers, high dimension and lack of semantic information in text representation, a new K-Means algorithm called KMeansBCC is proposed. Firstly, concept lattice is generated on the basis of formal context to which texts are converted by pre-process,then K-MeansBCC expresses texts using the concepts in concept lattice, and determines K values and initial centers according to the weight of concepts, finally the formula of concept similarity between texts is designed, and clustering result by K-Means algorithm is generated. The experimental result show that this algorithm improves the efficiency and accuracy of the clustering.%针对现有的K-Means算法K值需要人工赋值、随机选取初始中心点、文本表示维度高且缺乏语义的缺陷,提出了一种基于概念格的K-Means算法--K-MeansBCC(K-means algorithm based on concept lattice).将文本集经预处理转化为形式背景,在此基础上生成概念格;利用概念格中的概念表示文本,根据文本中概念的权重确定K值、选取初始中心点.最后设计了文本间的概念相似度计算公式,并由K-Means算法产生聚类结果.实验结果表明,该算法提高了聚类的效率和准确性.

  17. Lattice polymer automata

    Energy Technology Data Exchange (ETDEWEB)

    Rasmussen, S. [Los Alamos National Lab., NM (United States)]|[Santa Fe Institute, NM (United States); Smith, J.R. [Santa Fe Institute, NM (United States)]|[Massachusetts Media Lab., Cambridge, MA (United States). Physics and Media Group

    1995-05-01

    We present a new style of molecular dynamics and self-assembly simulation, the Lattice Polymer Automaton (LPA). In the LPA all interactions, including electromagnetic forces, are decomposed and communicated via propagating particles, {open_quotes}photons.{close_quotes} The monomer-monomer bondforces, the molecular excluded volume forces, the longer range intermolecular forces, and the polymer-solvent interactions may all be modeled with propagating particles. The LPA approach differs significantly from both of the standard approaches, Monte Carlo lattice methods and Molecular Dynamics simulations. On the one hand, the LPA provides more realism than Monte Carlo methods, because it produces a time series of configurations of a single molecule, rather than a set of causally unrelated samples from a distribution of configurations. The LPA can therefore be used directly to study dynamical properties; one can in fact watch polymers move in real time. On the other hand, the LPA is fully discrete, and therefore much simpler than traditional Molecular Dynamics models, which are continuous and operate on much shorter time scales. Due to this simplicity it is possible to simulate longer real time periods, which should enable the study of molecular self-organization on workstations supercomputers are not needed.

  18. Lattice stellar dynamics

    CERN Document Server

    Syer, D; Syer, D; Tremaine, S

    1995-01-01

    We describe a technique for solving the combined collisionless Boltzmann and Poisson equations in a discretised, or lattice, phase space. The time and the positions and velocities of `particles' take on integer values, and the forces are rounded to the nearest integer. The equations of motion are symplectic. In the limit of high resolution, the lattice equations become the usual integro-differential equations of stellar dynamics. The technique complements other tools for solving those equations approximately, such as N-body simulation, or techniques based on phase-space grids. Equilibria are found in a variety of shapes and sizes. They are true equilibria in the sense that they do not evolve with time, even slowly, unlike existing N-body approximations to stellar systems, which are subject to two-body relaxation. They can also be `tailor-made' in the sense that the mass distribution is constrained to be close to some pre-specified function. Their principal limitation is the amount of memory required to store ...

  19. 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 Maxwell-Boltzman

  20. Thermal vacancies and phase separation in bcc mixtures of helium-3 and helium-4

    International Nuclear Information System (INIS)

    Thermal vacancy concentrations in crystals of 3He-4He mixtures have been determined. A new x-ray diffractometer-position sensitive detector system is used to make measurements of the absolute lattice parameter of the helium crystals with an accuracy of 300 ppM, and measurements of changes in lattice parameters to better than 60 ppM. The phase separation of the concentrated 3He-4He mixtures has been studied in detail with the x-ray measurements. Vacancy concentrations in crystals with 99%, 51%, 28%, 12%, and 0% 3He have been determined. Phase separation has been studied in mixed crystals with concentrations of 51%, 28%, and 12% 3He and melting pressures between 3.0 and 6.1 MPa. The phase separation temperatures determined in this work are in general agreement with previous work. The pressure dependence of T/sub c/, the phase separation temperature for a 50% mixture, is found to be linear: dT/sub c//dP = -34 mdeg/MPa. The x-ray measurements are used to make several comments on the low temperature phase diagram of the helium mixtures

  1. Lattice Boltzmann Model for Compressible Fluid on a Square Lattice

    Institute of Scientific and Technical Information of China (English)

    SUN Cheng-Hai

    2000-01-01

    A two-level four-direction lattice Boltzmann model is formulated on a square lattice to simulate compressible flows with a high Mach number. The particle velocities are adaptive to the mean velocity and internal energy. Therefore, the mean flow can have a high Mach number. Due to the simple form of the equilibrium distribution, the 4th order velocity tensors are not involved in the calculations. Unlike the standard lattice Boltzmann model, o special treatment is need for the homogeneity of 4th order velocity tensors on square lattices. The Navier-Stokes equations were derived by the Chapman-Enskog method from the BGK Boltzmann equation. The model can be easily extended to three-dimensional cubic lattices. Two-dimensional shock-wave propagation was simulated

  2. Entangling gates in even Euclidean lattices such as Leech lattice

    CERN Document Server

    Planat, Michel

    2010-01-01

    We point out a organic relationship between real entangling n-qubit gates of quantum computation and the group of automorphisms of even Euclidean lattices of the corresponding dimension 2n. The type of entanglement that is found in the gates/generators of Aut() depends on the lattice. In particular, we investigate Zn lattices, Barnes-Wall lattices D4, E8, 16 (associated to n = 2, 3 and 4 qubits), and the Leech lattices h24 and 24 (associated to a 3-qubit/qutrit system). Balanced tripartite entanglement is found to be a basic feature of Aut(), a nding that bears out our recent work related to the Weyl group of E8 [1, 2].

  3. Nonlinear elastic effects in phase field crystal and amplitude equations: Comparison to ab initio simulations of bcc metals and graphene

    Science.gov (United States)

    Hüter, Claas; Friák, Martin; Weikamp, Marc; Neugebauer, Jörg; Goldenfeld, Nigel; Svendsen, Bob; Spatschek, Robert

    2016-06-01

    We investigate nonlinear elastic deformations in the phase field crystal model and derived amplitude equation formulations. Two sources of nonlinearity are found, one of them is based on geometric nonlinearity expressed through a finite strain tensor. This strain tensor is based on the inverse right Cauchy-Green deformation tensor and correctly describes the strain dependence of the stiffness for anisotropic and isotropic behavior. In isotropic one- and two-dimensional situations, the elastic energy can be expressed equivalently through the left deformation tensor. The predicted isotropic low-temperature nonlinear elastic effects are directly related to the Birch-Murnaghan equation of state with bulk modulus derivative K'=4 for bcc. A two-dimensional generalization suggests K2D '=5 . These predictions are in agreement with ab initio results for large strain bulk deformations of various bcc elements and graphene. Physical nonlinearity arises if the strain dependence of the density wave amplitudes is taken into account and leads to elastic weakening. For anisotropic deformation, the magnitudes of the amplitudes depend on their relative orientation to the applied strain.

  4. Equilibrium fluid-crystal interfacial free energy of bcc-crystallizing aqueous suspensions of polydisperse charged spheres

    Science.gov (United States)

    Palberg, Thomas; Wette, Patrick; Herlach, Dieter M.

    2016-02-01

    The interfacial free energy is a central quantity in crystallization from the metastable melt. In suspensions of charged colloidal spheres, nucleation and growth kinetics can be accurately measured from optical experiments. In previous work, from these data effective nonequilibrium values for the interfacial free energy between the emerging bcc nuclei and the adjacent melt in dependence on the chemical potential difference between melt phase and crystal phase were derived using classical nucleation theory (CNT). A strictly linear increase of the interfacial free energy was observed as a function of increased metastability. Here, we further analyze these data for five aqueous suspensions of charged spheres and one binary mixture. We utilize a simple extrapolation scheme and interpret our findings in view of Turnbull's empirical rule. This enables us to present the first systematic experimental estimates for a reduced interfacial free energy, σ0 ,b c c, between the bcc-crystal phase and the coexisting equilibrium fluid. Values obtained for σ0 ,b c c are on the order of a few kBT . Their values are not correlated to any of the electrostatic interaction parameters but rather show a systematic decrease with increasing size polydispersity and a lower value for the mixture as compared to the pure components. At the same time, σ0 also shows an approximately linear correlation to the entropy of freezing. The equilibrium interfacial free energy of strictly monodisperse charged spheres may therefore be still greater.

  5. Lattice resolution STEM

    International Nuclear Information System (INIS)

    Full text: Lattice-resolution scanning transmission electron microscopy (STEM) contrast, derived from coherent or incoherent scattering mechanisms, is finding application over a diverse range of problems on the atomic scale, particularly with the availability of coherent FEGs. Fundamental for the understanding of such contrast is the propagation within a crystal of a focused coherent probe formed by a collapsing spherical wave. Current Bloch wave descriptions construct the total wave function from a coherent superposition of Bloch states excited from a series of incident plane waves that span the full range of transverse momentum components in the focused probe. However this implementation of boundary conditions using phase-linked plane waves may be misleading in that the possibility of exciting antisymmetric states which provides the cross-talk between adjacent columns of atoms - appears at first sight to be excluded. We match the total probe wave function to a crystal wave function which incorporates all transverse momenta in the incident probe. This revised implementation of boundary conditions leads to a simple formula for excitation amplitude which enables the probe position dependent excitation of both symmetric and antisymmetric Bloch states to be predicted. Shortcomings of previous models for incoherent contrast are that interference between waves associated with mixed dynamic form factors for incoherent contrast is not addressed, and that an intensity contribution from dechannelled electrons is not taken into account. This simple revision of boundary conditions leads to a rigorous formulation for (i) coherent and (n) incoherent lattice resolution STEM contrast. The former (i) does not require principles of reciprocity to be invoked, and the latter (n) follows from a simple generalization of the theory of channelling contrast for ADF, BSE and ALCHEMI for an incident plane wave. Phase associated with products of transition amplitudes that occur in mixed

  6. Phase transition from fcc to bcc structure of the Cu-clusters during nanocrystallization of Fe85.2Si1B9P4Cu0.8 soft magnetic alloy

    Directory of Open Access Journals (Sweden)

    Masahiko Nishijima

    2014-05-01

    Full Text Available A role of Cu on the nanocrystallization of an Fe85.2Si1B9P4Cu0.8 alloy was investigated by X-ray absorption fine structure (XAFS and transmission electron microscopy (TEM. The Cu K-edge XAFS results show that local structure around Cu is disordered for the as-quenched sample whereas it changes to fcc-like structure at 613 K. The fcc Cu-clusters are, however, thermodynamically unstable and begin to transform into bcc structure at 638 K. An explicit bcc structure is observed for the sample annealed at 693 K for 600 s in which TEM observation shows that precipitated bcc-Fe crystallites with ∼12 nm are homogeneously distributed. The bcc structure of the Cu-clusters transforms into the fcc-type again at 973 K, which can be explained by the TEM observations; Cu segregates at grain boundaries between bcc-Fe crystallites and Fe3(B,P compounds. Combining the XAFS results with the TEM observations, the structure transition of the Cu-clusters from fcc to bcc is highly correlated with the preliminary precipitation of the bcc-Fe which takes place prior to the onset of the first crystallization temperature, Tx1 = 707 K. Thermodynamic analysis suggests that an interfacial energy density γ between an fcc-Cu cluster and bcc-Fe matrix dominates at a certain case over the structural energy between fcc and bcc Cu, ΔGfcc − bcc, which causes phase transition of the Cu clusters from fcc to bcc structure.

  7. Phase transition from fcc to bcc structure of the Cu-clusters during nanocrystallization of Fe85.2Si1B9P4Cu0.8 soft magnetic alloy

    International Nuclear Information System (INIS)

    A role of Cu on the nanocrystallization of an Fe85.2Si1B9P4Cu0.8 alloy was investigated by X-ray absorption fine structure (XAFS) and transmission electron microscopy (TEM). The Cu K-edge XAFS results show that local structure around Cu is disordered for the as-quenched sample whereas it changes to fcc-like structure at 613 K. The fcc Cu-clusters are, however, thermodynamically unstable and begin to transform into bcc structure at 638 K. An explicit bcc structure is observed for the sample annealed at 693 K for 600 s in which TEM observation shows that precipitated bcc-Fe crystallites with ∼12 nm are homogeneously distributed. The bcc structure of the Cu-clusters transforms into the fcc-type again at 973 K, which can be explained by the TEM observations; Cu segregates at grain boundaries between bcc-Fe crystallites and Fe3(B,P) compounds. Combining the XAFS results with the TEM observations, the structure transition of the Cu-clusters from fcc to bcc is highly correlated with the preliminary precipitation of the bcc-Fe which takes place prior to the onset of the first crystallization temperature, Tx1 = 707 K. Thermodynamic analysis suggests that an interfacial energy density γ between an fcc-Cu cluster and bcc-Fe matrix dominates at a certain case over the structural energy between fcc and bcc Cu, ΔGfcc−bcc, which causes phase transition of the Cu clusters from fcc to bcc structure

  8. Phase transition from fcc to bcc structure of the Cu-clusters during nanocrystallization of Fe85.2Si1B9P4Cu0.8 soft magnetic alloy

    Science.gov (United States)

    Nishijima, Masahiko; Matsuura, Makoto; Takenaka, Kana; Takeuchi, Akira; Ofuchi, Hironori; Makino, Akihiro

    2014-05-01

    A role of Cu on the nanocrystallization of an Fe85.2Si1B9P4Cu0.8 alloy was investigated by X-ray absorption fine structure (XAFS) and transmission electron microscopy (TEM). The Cu K-edge XAFS results show that local structure around Cu is disordered for the as-quenched sample whereas it changes to fcc-like structure at 613 K. The fcc Cu-clusters are, however, thermodynamically unstable and begin to transform into bcc structure at 638 K. An explicit bcc structure is observed for the sample annealed at 693 K for 600 s in which TEM observation shows that precipitated bcc-Fe crystallites with ˜12 nm are homogeneously distributed. The bcc structure of the Cu-clusters transforms into the fcc-type again at 973 K, which can be explained by the TEM observations; Cu segregates at grain boundaries between bcc-Fe crystallites and Fe3(B,P) compounds. Combining the XAFS results with the TEM observations, the structure transition of the Cu-clusters from fcc to bcc is highly correlated with the preliminary precipitation of the bcc-Fe which takes place prior to the onset of the first crystallization temperature, Tx1 = 707 K. Thermodynamic analysis suggests that an interfacial energy density γ between an fcc-Cu cluster and bcc-Fe matrix dominates at a certain case over the structural energy between fcc and bcc Cu, ΔGfcc - bcc, which causes phase transition of the Cu clusters from fcc to bcc structure.

  9. Excitonic surface lattice resonances

    Science.gov (United States)

    Humphrey, A. D.; Gentile, M. J.; Barnes, W. L.

    2016-08-01

    Electromagnetic resonances are important in controlling light at the nanoscale. The most studied such resonance is the surface plasmon resonance that is associated with metallic nanostructures. Here we explore an alternative resonance, the surface exciton-polariton resonance, one based on excitonic molecular materials. Our study is based on analytical and numerical modelling. We show that periodic arrays of suitable molecular nanoparticles may support surface lattice resonances that arise as a result of coherent interactions between the particles. Our results demonstrate that excitonic molecular materials are an interesting alternative to metals for nanophotonics; they offer the prospect of both fabrication based on supramolecular chemistry and optical functionality arising from the way the properties of such materials may be controlled with light.

  10. Holographic Q-lattices

    International Nuclear Information System (INIS)

    We introduce a new framework for constructing black hole solutions that are holographically dual to strongly coupled field theories with explicitly broken translation invariance. Using a classical gravitational theory with a continuous global symmetry leads to constructions that involve solving ODEs instead of PDEs. We study in detail D=4 Einstein-Maxwell theory coupled to a complex scalar field with a simple mass term. We construct black holes dual to metallic phases which exhibit a Drude-type peak in the optical conductivity, but there is no evidence of an intermediate scaling that has been reported in other holographic lattice constructions. We also construct black holes dual to insulating phases which exhibit a suppression of spectral weight at low frequencies. We show that the model also admits a novel AdS3×ℝ solution

  11. Branes and integrable lattice models

    CERN Document Server

    Yagi, Junya

    2016-01-01

    This is a brief review of my work on the correspondence between four-dimensional $\\mathcal{N} = 1$ supersymmetric field theories realized by brane tilings and two-dimensional integrable lattice models. I explain how to construct integrable lattice models from extended operators in partially topological quantum field theories, and elucidate the correspondence as an application of this construction.

  12. Nuclear Physics and Lattice QCD

    OpenAIRE

    Savage, Martin J.

    2005-01-01

    Lattice QCD is progressing toward being able to impact our understanding of nuclei and nuclear processes. I discuss areas of nuclear physics that are becoming possible to explore with lattice QCD, the techniques that are currently available and the status of numerical explorations.

  13. Network coding with modular lattices

    CERN Document Server

    Kendziorra, Andreas

    2010-01-01

    In [1], K\\"otter and Kschischang presented a new model for error correcting codes in network coding. The alphabet in this model is the subspace lattice of a given vector space, a code is a subset of this lattice and the used metric on this alphabet is the map d: (U, V) \\longmapsto dim(U + V) - dim(U \\bigcap V). In this paper we generalize this model to arbitrary modular lattices, i.e. we consider codes, which are subsets of modular lattices. The used metric in this general case is the map d: (x, y) \\longmapsto h(x \\bigvee y) - h(x \\bigwedge y), where h is the height function of the lattice. We apply this model to submodule lattices. Moreover, we show a method to compute the size of spheres in certain modular lattices and present a sphere packing bound, a sphere covering bound, and a singleton bound for codes, which are subsets of modular lattices. [1] R. K\\"otter, F.R. Kschischang: Coding for errors and erasures in random network coding, IEEE Trans. Inf. Theory, Vol. 54, No. 8, 2008

  14. Charmed baryons on the lattice

    CERN Document Server

    Padmanath, M

    2015-01-01

    We discuss the significance of charm baryon spectroscopy in hadron physics and review the recent developments of the spectra of charmed baryons in lattice calculations. Special emphasis is given on the recent studies of highly excited charm baryon states. Recent precision lattice measurements of the low lying charm and bottom baryons are also reviewed.

  15. Lattice Induced Transparency in Metasurfaces

    CERN Document Server

    Manjappa, Manukumara; Singh, Ranjan

    2016-01-01

    Lattice modes are intrinsic to the periodic structures and their occurrence can be easily tuned and controlled by changing the lattice constant of the structural array. Previous studies have revealed excitation of sharp absorption resonances due to lattice mode coupling with the plasmonic resonances. Here, we report the first experimental observation of a lattice induced transparency (LIT) by coupling the first order lattice mode (FOLM) to the structural resonance of a metamaterial resonator at terahertz frequencies. The observed sharp transparency is a result of the destructive interference between the bright mode and the FOLM mediated dark mode. As the FOLM is swept across the metamaterial resonance, the transparency band undergoes large change in its bandwidth and resonance position. Besides controlling the transparency behaviour, LIT also shows a huge enhancement in the Q-factor and record high group delay of 28 ps, which could be pivotal in ultrasensitive sensing and slow light device applications.

  16. Computing the writhe on lattices

    International Nuclear Information System (INIS)

    Given a polygonal closed curve on a lattice or space group, we describe a method for computing the writhe of the curve as the average of weighted projected writhing numbers of the polygon in a few directions. These directions are determined by the lattice geometry, the weights are determined by areas of regions on the unit 2-sphere, and the regions are formed by the tangent indicatrix to the polygonal curve. We give a new formula for the writhe of polygons on the face centred cubic lattice and prove that the writhe of polygons on the body centred cubic lattice, the hexagonal simple lattice, and the diamond space group is always a rational number, and discuss applications to ring polymers

  17. 体心立方固溶体合金中的“团簇+连接原子”结构模型%Cluster-plus-glue-atom model in bcc solid solution alloys

    Institute of Scientific and Technical Information of China (English)

    郝传璞; 王清; 马仁涛; 王英敏; 羌建兵; 董闯

    2011-01-01

    In the present work we propose the cluster-plus-glue-atom model for bcc solid solutions by establishing periodic packing geometries of CN14 basic clusters in bcc lattice to reflect the idealized chemical short-range order near solute atoms.The model is expressed by cluster formula (glue)x,where the cluster center is occupied by a solute having the largest negative enthalpy,mixed with the solvent,and other solute atoms serves as glues or substitute for the solvents in cluster shell.The 1∶1 cluster model [cluster](glue atom)1 is specially emphasized that guarantees to a maximum extent the glue-cluster nearest neighbors and hence forms a most efficient configuration.This 1∶1 model is conducible to the design of a low-V hydrogen-storage [Ti7Cr8]V1 alloy and a [Mo1(Ti,Zr)14]Nb1 alloy with low Young's modulus combined with high strength.%为体现固溶体合金中的溶质原子产生的化学短程序,文章提出了配位数为14的团簇在体心立方(bcc)点阵中的堆垛模式,并建立了基于bcc结构的"团簇+连接原子"结构模型,用团簇成分式[团簇](连接原子)x表述.此模型中,与基体组元具有相对大的负混合焓的溶质原子占据团簇心部,其他原子作为连接或者替代团簇壳层基体原子.1:1结构模型[团簇](连接原子)1由于最大程度地保证了团簇与连接原子的近邻,构成了连接原子最有效的合金化方式.在两个实用bcc固溶体合金体系中,1:1模型指导设计了低V含量的储氢合金[Ti7Cr8]V1和低弹性模量高强度的[Mo(Ti,Zr)14]Nb1合金.

  18. 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.

  19. $EE_8$-lattices and dihedral groups

    OpenAIRE

    Griess Jr., Robert L.; lam, Ching Hung

    2008-01-01

    We classify integral rootless lattices which are sums of pairs of $EE_8$-lattices (lattices isometric to $\\sqrt 2$ times the $E_8$-lattice) and which define dihedral groups of orders less than or equal to 12. Most of these may be seen in the Leech lattice. Our classification may help understand Miyamoto involutions on lattice type vertex operator algebras and give a context for the dihedral groups which occur in the Glauberman-Norton moonshine theory.

  20. bcc-Fe等温压缩下相变的微观模拟与分析%SIMULATIONS AND ANALYSIS OF PHASE TRANSFORMATIONS IN bcc-Fe UNDER ISOTHERMAL COMPRESSION

    Institute of Scientific and Technical Information of China (English)

    邵建立; 秦承森; 王裴

    2008-01-01

    使用嵌入原子势分子动力学方法,对bcc-Fe在等温压缩(沿[001]晶向)下的相变(bcc至hcp)的微观过程进行了数值模拟.结果表明,当应力超过相变阈值,hcp相开始形核并沿(011)面长大成片状体系,同时系统进入超应力松弛状态;平均应力及hcp相质量分数在初始形核时发生突变,之后与体系的体积变化近似呈线性关系;纵向偏应力与相变质量分数在整个相变过程保持线性关系;混合相中,hcp相的平均势能高于bcc相.

  1. Vertical Cloudiness over East Asia Simulated by Different BCC_AGCM Models%不同分辨率BCC_AGCM模式对东亚区域垂直云量的模拟

    Institute of Scientific and Technical Information of China (English)

    孙国荣; 李昀英; 寇雄伟; 方乐锌; 高翠翠

    2016-01-01

    The ISCCP (International Satellite Cloud Climatology Project) and NCEP (National Centers for Environmental Prediction) datasets have been exploited to investigate the vertical cloudiness over East Asia simulated by BCC_AGCM2.1 (Beijing Climate Center_Atmospheric General Circulation Model 2.1) and BCC_AGCM2.2. The sources of errors are also explored in this paper. The two models generally can well simulate the distribution of total cloud amount and vertical changes in cloudiness along the topography, however, the simulated cloudiness is less than observations. The cloud cover simulated by AGCM2.2 is less than that by AGCM2.1. Despite the better representation of complex terrain, AGCM2.2 does not show any advantages of the high resolution. The poor performance of the model in the simulation of circulation fields in eastern China leads to underestimation of cloudiness, particularly in the AGCM2.2 simulation. Meanwhile, the overestimation of relative humidity in the upper troposphere results in more simulated cloudiness than observations. The underestimation of relative humidity near the ocean surface and unrealistically small moisture content simulated by the model in Sichuan Basin and its surrounding area in the cold season lead to less cloud amount in the model result. The simulated cloudiness is sensitive to relative humidity. The response of cloudiness to vertical velocity and stability is significant but has little regional difference in both models. The coefficient in the relationship between cloudiness and relative humidity in the model needs to be adjusted and should be more conducive to the production of clouds.%基于ISCCP(International Satellite Cloud Climatology Project)和NCEP(National Centers for Environmental Prediction)资料分析了BCC_AGCM2.1(Beijing Climate Center_Atmospheric General Circulation Model 2.1)和BCC_AGCM2.2模拟的云在东亚的垂直分布特点,并探讨了误差来源。两个模式大体上模拟出了总云量的

  2. Toward lattice fractional vector calculus

    International Nuclear Information System (INIS)

    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)

  3. First-principles study on the lattice stability of elemental Co, Rh, and Ir in the ⅧB group

    Institute of Scientific and Technical Information of China (English)

    TAO Huijin; YIN Jian; YIN Zhimin; ZHANG Chuangfu; LI Jie; HUANG Boyun

    2009-01-01

    Lattice constants, total energies, and densities of state of transition metals Co, Rh, and Ir in the VIIIB group with different crystalline structures were calculated via generalized gradient approximation (GGA) of the total energy plane wave pseudopotentiai method in first-principles. The lattice stabilities of Rh and Ir are △Gbcc-hcp △Gfcc-hcp 0, agreeing well with those of the projector augmented wave method in first-principles and the CALPHAD method in spite of elemental Co. Analyses of the electronic smlctures to lattice stability show that crystalline Rh and Ir with fcc structures have the obvious characteristic of a stable phase, agreeing with the results of total energy calculations. Analyses of atomic populations show that the transition rate of electrons from the s state to the p or d state for hop, fcc, and bcc crystals of Co and Rh increases with the elemental period number to form a stronger cohesion, a higher cohesive energy, or a more stable lattice between atoms in heavier metals.

  4. Localized structures in Kagome lattices

    Energy Technology Data Exchange (ETDEWEB)

    Saxena, Avadh B [Los Alamos National Laboratory; Bishop, Alan R [Los Alamos National Laboratory; Law, K J H [UNIV OF MASSACHUSETTS; Kevrekidis, P G [UNIV OF MASSACHUSETTS

    2009-01-01

    We investigate the existence and stability of gap vortices and multi-pole gap solitons in a Kagome lattice with a defocusing nonlinearity both in a discrete case and in a continuum one with periodic external modulation. In particular, predictions are made based on expansion around a simple and analytically tractable anti-continuum (zero coupling) limit. These predictions are then confirmed for a continuum model of an optically-induced Kagome lattice in a photorefractive crystal obtained by a continuous transformation of a honeycomb lattice.

  5. Lattice sums then and now

    CERN Document Server

    Borwein, J M; McPhedran, R C

    2013-01-01

    The study of lattice sums began when early investigators wanted to go from mechanical properties of crystals to the properties of the atoms and ions from which they were built (the literature of Madelung's constant). A parallel literature was built around the optical properties of regular lattices of atoms (initiated by Lord Rayleigh, Lorentz and Lorenz). For over a century many famous scientists and mathematicians have delved into the properties of lattices, sometimes unwittingly duplicating the work of their predecessors. Here, at last, is a comprehensive overview of the substantial body of

  6. Fast simulation of lattice systems

    DEFF Research Database (Denmark)

    Bohr, H.; Kaznelson, E.; Hansen, Frank;

    1983-01-01

    A new computer system with an entirely new processor design is described and demonstrated on a very small trial lattice. The new computer simulates systems of differential equations of the order of 104 times faster than present day computers and we describe how the machine can be applied to lattice...... models in theoretical physics. A brief discussion is also given of the various mathematical approaches for studying a lattice model. We used the computer on the X - Y model. In an actual QCD program an improved computer of such a kind is designed to be 102 times faster than ordinary machines...

  7. Interplay between intrinsic point defects and low-angle grain boundary in bcc tungsten: effects of local stress field

    Science.gov (United States)

    Niu, Liang-Liang; Zhang, Ying; Shu, Xiaolin; Jin, Shuo; Zhou, Hong-Bo; Gao, Fei; Lu, Guang-Hong

    2015-06-01

    We have used molecular statics in conjunction with an embedded atom method to explore the interplay between native point defects (vacancies and self-interstitials (SIAs)) and a low-angle grain boundary (GB) in bcc tungsten. The low-angle GB has biased absorption of SIAs over vacancies. We emphasize the significance of phenomena such as vacancy delocalization and SIA instant absorption around the GB dislocation cores in stabilizing the defect structures. Interstitial loading into the GB can dramatically enhance the interaction strength between the point defects and the GB due to SIA clustering (SIA cloud formation) or SIA vacancy recombination. We propose that the ‘maximum atom displacement’ can complement the ‘vacancy formation energy’ in evaluating unstable vacancy sites. Calculations of point defect migration barriers in the vicinity of GB dislocation cores show that vacancies and SIAs preferentially migrate along the pathways in the planes immediately above and below the core, respectively.

  8. Interplay between intrinsic point defects and low-angle grain boundary in bcc tungsten: effects of local stress field

    International Nuclear Information System (INIS)

    We have used molecular statics in conjunction with an embedded atom method to explore the interplay between native point defects (vacancies and self-interstitials (SIAs)) and a low-angle grain boundary (GB) in bcc tungsten. The low-angle GB has biased absorption of SIAs over vacancies. We emphasize the significance of phenomena such as vacancy delocalization and SIA instant absorption around the GB dislocation cores in stabilizing the defect structures. Interstitial loading into the GB can dramatically enhance the interaction strength between the point defects and the GB due to SIA clustering (SIA cloud formation) or SIA vacancy recombination. We propose that the ‘maximum atom displacement’ can complement the ‘vacancy formation energy’ in evaluating unstable vacancy sites. Calculations of point defect migration barriers in the vicinity of GB dislocation cores show that vacancies and SIAs preferentially migrate along the pathways in the planes immediately above and below the core, respectively. (paper)

  9. The electronic structure and bonding of a H-H pair in the vicinity of a BCC Fe bulk vacancy

    Energy Technology Data Exchange (ETDEWEB)

    Juan, A.; Pistonesi, C.; Brizuela, G. [Universidad Nacional del Sur, Bahia Blanca (Argentina). Departamento de Fisica; Garcia, A.J. [Universidad Nacional del Sur, Bahia Blanca (Argentina). Departamento de Ciencias de la Computacion

    2003-09-01

    The H-Fe interaction near a bcc Fe vacancy is analysed using a semi-empirical theoretical method. Calculations were performed using a Fe{sub 86} cluster with a vacancy. Hydrogen atoms are positioned in their local energy minima configurations. Changes in the electronic structure of Fe atoms near a vacancy were analysed for the system without H, with one H and with two H atoms. Fe atoms surrounding the vacancy weaken their bond when hydrogen is present. This is due to the formation of H-Fe bonds. Hydrogen influences only its nearest-neighbour Fe atoms. The H-H interaction was also analysed. For H-H distance of 0.82 Angstrom an H-H association is formed, while H-Fe interaction and Fe-Fe weakening is markedly reduced, when compared with other H-H interactions. (author)

  10. The Role of Shear in the Onset of Iron's bcc to hcp Stress--Induced Phase Transition

    Science.gov (United States)

    Lew, A.; Caspersen, K.; Ortiz, M.; Carter, E.

    2003-12-01

    Iron presents a martensitic phase transition from bcc to hcp at an approximate pressure of 13 GPa. The exact onset pressure has been determined to have values ranging from 9 to 16 GPa by several different experimental results. We propose a multiscale model for Iron, with all necessary quantities computed exclusively from first--principles. In this model, we account for all shear components of the deformation, finding that they play a crucial role in its onset, even for very small amounts of shear. Briefly, the model consists of constructing the energy landscape in all six-components of strain. Then, for a given deformation of a representative sample, we minimize its energy by possibly accomodating martensitic laminates inside it, in the spirit of a spinodal decomposition. We will describe the model in detail and show how the onset pressure varies when shear is present, as well as the mixed states encoutered upon transformation.

  11. Screw dislocation mobility in BCC metals: the role of the compact core on double-kink nucleation

    International Nuclear Information System (INIS)

    In this work, we examine the kink-nucleation process in BCC screw dislocations using atomistic simulation and transition pathway analysis, with a particular focus on the compact core structure. We observe the existence of a threshold stress, which results in an abrupt change in the minimum energy path of the kink-nucleation process, and hence, a discontinuity in the activation energy versus stress for the process. The magnitude of the discontinuity is found to be related to the degree of metastability of an intermediate split-core structure. This feature appears to be a direct consequence of the so-called 'camel-hump' nature of the Peierls potential, which manifests itself in the existence of a metastable, intermediate split-core structure. The effect is observed in a number of empirical EAM potentials, including Fe, Ta, V, Nb and Mo, suggesting a generality to the observations

  12. Assessment of hardening due to dislocation loops in bcc iron: Overview and analysis of atomistic simulations for edge dislocations

    Science.gov (United States)

    Bonny, G.; Terentyev, D.; Elena, J.; Zinovev, A.; Minov, B.; Zhurkin, E. E.

    2016-05-01

    Upon irradiation, iron based steels used for nuclear applications contain dislocation loops of both and ½ type. Both types of loops are known to contribute to the radiation hardening and embrittlement of steels. In the literature many molecular dynamics works studying the interaction of dislocations with dislocation loops are available. Recently, based on such studies, a thermo-mechanical model to threat the dislocation - dislocation loop (DL) interaction within a discrete dislocation dynamics framework was developed for ½ loops. In this work, we make a literature review of the dislocation - DL interaction in bcc iron. We also perform molecular dynamics simulations to derive the stress-energy function for loops. As a result we deliver the function of the activation energy versus activation stress for loops that can be applied in a discrete dislocation dynamics framework.

  13. A low-cost BCC alloy prepared from a FeV80 alloy with a high hydrogen storage capacity

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Yigang; Chen, Yungui; Wu, Chaoling; Tao, Mingda; Liang, Hao [School of Materials Science and Engineering, Sichuan University, Chengdu 610064 (China)

    2007-02-10

    A V{sub 30}Ti{sub 32}Cr{sub 32}Fe{sub 6} alloy prepared from a FeV80 master alloy is reported. It has a high hydrogen absorption/desorption capacity, good activation performance and kinetics. Heat-treatment at 1673 K is an effective way to increase the capacity and flatten the plateau due to the homogenization of the compositions in the alloy and the disappearance of Laves phase after heat-treatment. The heat-treated alloy can absorb 3.76 wt.%H at 298 K. It desorbs 2.35 wt.%H at 298 K and 2.56 wt.%H at 373 K. The development of this alloy could be of great significance to the application of V-based BCC hydrogen storage alloys. (author)

  14. Ab initio calculation of the bcc Mo-Al (molybdenum-aluminium) phase diagram: Implications for the nature of the {zeta}{sub 2}-MoAl phase

    Energy Technology Data Exchange (ETDEWEB)

    Gonzales-Ormeno, Pablo Guillermo [Computational Materials Science Laboratory, Departamento de Engenharia Metalurgica e de Materiais, Escola Politecnica da Universidade de Sao Paulo, Av. Prof. Mello Moraes, 2463-CEP 05508-900 Sao Paulo-SP (Brazil); Petrilli, Helena Maria [Departamento de Fisica dos Materiais e Meca-hat nica, Instituto de Fisica da Universidade de Sao Paulo, CP 66318, CEP 05315-970 Sao Paulo-SP (Brazil)]. E-mail: hmpetril@macbeth.if.usp.br; Schoen, Claudio Geraldo [Computational Materials Science Laboratory, Departamento de Engenharia Metalurgica e de Materiais, Escola Politecnica da Universidade de Sao Paulo, Av. Prof. Mello Moraes, 2463-CEP 05508-900 Sao Paulo-SP (Brazil)]. E-mail: schoen@usp.br

    2005-09-15

    The metastable phase diagram of the bcc-based ordering equilibria in the Mo-Al system has been calculated by the cluster expansion method, through the combination of FP-LAPW and CVM. The results are discussed with reference to the structure and stability of the {zeta}{sub 2}-MoAl high temperature phase.

  15. Nuclear models on a lattice

    CERN Document Server

    De Soto, F; Carbonell, J; Leroy, J P; Pène, O; Roiesnel, C; Boucaud, Ph.

    2007-01-01

    We present the first results of a quantum field approach to nuclear models obtained by lattice techniques. Renormalization effects for fermion mass and coupling constant in case of scalar and pseudoscalar interaction lagrangian densities are discussed.

  16. Interacting atoms in optical lattices

    OpenAIRE

    Mentink, Johan; Kokkelmans, Servaas

    2008-01-01

    We propose an easy to use model to solve for interacting atoms in an optical lattice. This model allows for the whole range of weakly to strongly interacting atoms, and it includes the coupling between relative and center-of-mass motion via anharmonic lattice terms. We apply this model to a high-precision spin dynamics experiment, and we discuss the corrections due to atomic interactions and the anharmonic coupling. Under suitable experimental conditions, energy can be transferred between the...

  17. Transport in Sawtooth photonic lattices

    CERN Document Server

    Weimann, Steffen; Real, Bastián; Cantillano, Camilo; Szameit, Alexander; Vicencio, Rodrigo A

    2016-01-01

    We investigate, theoretically and experimentally, a photonic realization of a Sawtooth lattice. This special lattice exhibits two spectral bands, with one of them experiencing a complete collapse to a highly degenerate flat band for a special set of inter-site coupling constants. We report the ob- servation of different transport regimes, including strong transport inhibition due to the appearance of the non-diffractive flat band. Moreover, we excite localized Shockley surfaces states, residing in the gap between the two linear bands.

  18. Capacities on a finite lattice

    OpenAIRE

    Machida, Motoya

    2011-01-01

    In his influential work Choquet systematically studied capacities on Boolean algebras in a topological space, and gave a probabilistic interpretation for completely monotone (and completely alternating) capacities. Beyond complete monotonicity we can view a capacity as a marginal condition for probability distribution over the distributive lattice of dual order ideals. In this paper we discuss a combinatorial approach when capacities are defined over a finite lattice, and investigate Fr\\'{e}c...

  19. Multifractal behaviour of -simplex lattic

    Indian Academy of Sciences (India)

    Sanjay Kumar; Debaprasad Giri; Sujata Krishna

    2000-06-01

    We study the asymptotic behaviour of resistance scaling and fluctuation of resistance that give rise to flicker noise in an -simplex lattice. We propose a simple method to calculate the resistance scaling and give a closed-form formula to calculate the exponent, , associated with resistance scaling, for any . Using current cumulant method we calculate the exact noise exponent for -simplex lattices.

  20. Lattice gauge theory for QCD

    Energy Technology Data Exchange (ETDEWEB)

    DeGrand, T. [Univ. of Colorado, Boulder, CO (United States). Dept. of Physics

    1997-06-01

    These lectures provide an introduction to lattice methods for nonperturbative studies of Quantum Chromodynamics. Lecture 1: Basic techniques for QCD and results for hadron spectroscopy using the simplest discretizations; lecture 2: Improved actions--what they are and how well they work; lecture 3: SLAC physics from the lattice-structure functions, the mass of the glueball, heavy quarks and {alpha}{sub s} (M{sub z}), and B-{anti B} mixing. 67 refs., 36 figs.

  1. Baryon spectroscopy in lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Derek B. Leinweber; Wolodymyr Melnitchouk; David Richards; Anthony G. Williams; James Zanotti

    2004-04-01

    We review recent developments in the study of excited baryon spectroscopy in lattice QCD. After introducing the basic methods used to extract masses from correlation functions, we discuss various interpolating fields and lattice actions commonly used in the literature. We present a survey of results of recent calculations of excited baryons in quenched QCD, and outline possible future directions in the study of baryon spectra.

  2. Lattice gauge theory for QCD

    International Nuclear Information System (INIS)

    These lectures provide an introduction to lattice methods for nonperturbative studies of Quantum Chromodynamics. Lecture 1: Basic techniques for QCD and results for hadron spectroscopy using the simplest discretizations; lecture 2: Improved actions--what they are and how well they work; lecture 3: SLAC physics from the lattice-structure functions, the mass of the glueball, heavy quarks and αs (Mz), and B-anti B mixing. 67 refs., 36 figs

  3. Lattice QCD: A Brief Introduction

    Science.gov (United States)

    Meyer, H. B.

    A general introduction to lattice QCD is given. The reader is assumed to have some basic familiarity with the path integral representation of quantum field theory. Emphasis is placed on showing that the lattice regularization provides a robust conceptual and computational framework within quantum field theory. The goal is to provide a useful overview, with many references pointing to the following chapters and to freely available lecture series for more in-depth treatments of specifics topics.

  4. Chiral symmetry and lattice fermions

    CERN Document Server

    Creutz, Michael

    2013-01-01

    Lattice gauge theory and chiral perturbation theory are among the primary tools for understanding non-perturbative aspects of QCD. I review several subtle and sometimes controversial issues that arise when combining these techniques. Among these are one failure of partially quenched chiral perturbation theory when the valence quarks become lighter than the average sea quark mass and a potential ambiguity in comparisons of perturbative and lattice properties of non-degenerate quarks.

  5. Lattice Dynamics of Rubidium

    International Nuclear Information System (INIS)

    The frequency/wave-vector dispersion relation for the normal modes of vibration in the major symmetry directions of body-centred cubic rubidium has been measured at 120° K. The large (∼ 75 cm3) single crystal was aligned with either a [110] or a [100] axis vertical, and constant incident frequencies between 3.8 and 5.5 x 1012 c,s were employed. The measurements were taken with the McMaster University triple-axis spectrometer at Chalk River in the constant-Q mode of operation. The dispersion curves are similar in shape to those of sodium and potassium. The ratio for a set of 104 values of q common to both sets of data, is 1.667 ± 0.005 with a standard deviation for an individual ratio from the mean of 0.05. The homology of the lattice vibrations for Na and Rb is poorer than for K and Rb. A Born-von Kármán analysis of the measurements has been made, and it is found that third nearest neighbour forces must be included to obtain reasonable agreement. More distant neighbour forces improve the fit relatively little. Axially symmetric constraints do not change the force constants significantly. As expected, the force constant 1XY is larger than 1XX, which suggests that the forces between nearest neighbours are repulsive. The initial slopes of the dispersion curves are considerably larger than the slopes deduced from ultrasonic measurements. The errors, mainly in the ultrasonic measurements, are barely sufficient to account for the differences. (author)

  6. Dynamics of the HCP/BCC phase transition and of the diffusion in zirconium: a model based on a tight-binding potential

    International Nuclear Information System (INIS)

    We have developed an N-body interatomic potential, based on the second moment approximation of the tight-binding scheme, by fitting its four adjustable parameters to the cohesive energy, atomic volume, and elastic constants of hcp-Zr. We then showed that various properties of this potential compare favorably with those of zirconium in both the low temperatures hcp phase and the high temperature bcc phase. Such is the case in particular for the elastic constants, the phonon dispersion curves, the thermal expansion, and the melting temperature. We reproduced by molecular dynamics (MD) simulations on this potential the hcp/bcc phase transformation in both ways. It indeed occurs following the mechanism predicted by Burgers. We find a vibrational entropy of transformation equal to 0.13 kB. Our calculations suggest that in real zirconium the electronic contribution to the transformation entropy is important. We show that some interatomic potential lead to a higher value of the vibrational entropy in the hcp phase than in the bcc phase. We specified the dynamics of the vacancy migration in the bcc phase. The atomic jumps are almost exclusively nearest neighbour ones. The walk of the vacancy becomes strongly correlated at high temperatures. The vacancy jump frequency is very large and has a perfectly arrhenian behaviour. There is no evicence of a dynamical lowering of the vacancy migration barrier: the static and dynamic values of the vacancy migration energy are almost equal, both being unusually small (0.3 eV). The self diffusion coefficent of our model for the vacancy mechanism reproduces an anomalous fast diffusion close to that measured experimentally in bcc-Zr. In our model at high temperatures the time interval between successive jumps is almost equal to the time of flight. The migration events will therefore influence the formation of the vacancies

  7. Large intervals in the clone lattice

    OpenAIRE

    Goldstern, Martin; Shelah, Saharon

    2002-01-01

    We give three examples of large intervals in the lattice of (local) clones on an infinite set X, by exhibiting clones C_1, C_2, C_3 such that: (1) the interval [C_1, O] in the lattice of local clones is (as a lattice) isomorphic to {0,1,2, ...} under the divisibility relation, (2) the interval [C_2, O] in the lattice of local clones is isomorphic to the congruence lattice of an arbitrary semilattice, (3) the interval [C_3, O] in the lattice of all clones is isomorphic to the lattice of all fi...

  8. A lexicographic shellability characterization of geometric lattices

    CERN Document Server

    Davidson, Ruth

    2011-01-01

    Geometric lattices are characterized as those finite, atomic lattices such that every atom ordering induces a lexicographic shelling given by an edge labeling known as a minimal labeling. This new characterization fits into a similar paradigm as McNamara's characterization of supersolvable lattices as those lattices admitting a different type of lexicographic shelling, namely one in which each maximal chain is labeled with a permutation of {1,...,n}. Geometric lattices arise as the intersection lattices of central hyperplane arrangements and more generally as the lattices of flats for matroids.

  9. bcc-Fe空位浓度对辐照损伤影响的分子动力学模拟%Molecular Dynamics Simulation of Vacancy Concentration on Irradiation Cascades Damage Effects in bcc-Fe

    Institute of Scientific and Technical Information of China (English)

    王建伟; 尚新春; 吕国才

    2011-01-01

    中子辐照引起的位移级联能在金属中产生各种缺陷.通过三维分子动力学方法模拟了bcc-Fe在不同空位浓度下中子辐照的位移级联过程.模拟结果表明,在空位浓度0%和初始碰撞原子能量5keV的情形下,位移级联过程会出现大量空位、间隙原子团等缺陷.经过0.5ps后点缺陷数量NF达到最大值1632,之后其逐渐减少,10ps后稳定在60.预置空位的存在加速了级联过程中点缺陷的湮灭.进一步的模拟指出,预置空位浓度越高,则点缺陷复合也就越快.这些结果有助于描述核反应堆结构钢的某些微观失效机理.%The neutron irradiation on metal materials could generate various defects which are caused by displacement cascades. The displacement cascades of neutron irradiation with various vacancy concentrations in bcc-Fe are simulated by three-dimensional molecular dynamics method. The simulation results show that a large number of vacancies and self interstitial atoms (SIAs) clusters would appear for the case of 0% vacancy concentration and 5keV primary knock-on atom energy. The number of point defect NF reached to peak value 1632 after 0. 5ps. It will decrease sequently and the number of point defect will go stable value 60 after 10 ps. The existence of pre-vacancy defects would accelerate the defect annihilation in the cascade process. The further simulation indicated that the defect annihilation is the faster in the case of the higher pre-vacancy concentration. These results could be useful for describing some mechanism of microcosmic failure for structural steels components in nuclear reactors.

  10. Lattice dislocation in Si nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Omar, M.S., E-mail: dr_m_s_omar@yahoo.co [Department of Physics, College of Science, University of Salahaddin, Arbil, Iraqi Kurdistan (Iraq); Taha, H.T. [Department of Physics, College of Science, University of Salahaddin, Arbil, Iraqi Kurdistan (Iraq)

    2009-12-15

    Modified formulas were used to calculate lattice thermal expansion, specific heat and Bulk modulus for Si nanowires with diameters of 115, 56, 37 and 22 nm. From these values and Gruneisen parameter taken from reference, mean lattice volumes were found to be as 20.03 A{sup 3} for the bulk and 23.63, 29.91, 34.69 and 40.46 A{sup 3} for Si nanowire diameters mentioned above, respectively. Their mean bonding length was calculated to be as 0.235 nm for the bulk and 0.248, 0.269, 0.282 and 0.297 nm for the nanowires diameter mentioned above, respectively. By dividing the nanowires diameter on the mean bonding length, number of layers per each nanowire size was found to be as 230, 104, 65 and 37 for the diameters mentioned above, respectively. Lattice dislocations in 22 nm diameter wire were found to be from 0.00324 nm for the 1st central lattice to 0.2579 nm for the last surface lattice. Such dislocation was smaller for larger wire diameters. Dislocation concentration found to change in Si nanowires according to the proportionalities of surface thickness to nanowire radius ratios.

  11. Microstructural Characterization of Dislocation Networks During Harper-Dorn Creep of fcc, bcc, and hcp Metals and Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Przystupa, Marek A.

    2007-12-13

    Harper-Dorn (H-D) creep is observed in metals and geological materials exposed to very low stresses at temperatures close to the melting point. It is one of several types of creep processes wherein the steady-state strain rate is proportional to the applied stress, Nabarro-Herring creep and Coble creep being two other important processes. H-D creep can be somewhat insidious because the creep rates are much larger than those expected for Nabarro-Herring or Coble creep. Since the working conditions of structural components of power plants and propulsion systems, as well as the motion of the earth’s mantle all involve very low stresses, an understanding of the factors controlling H-D creep is critical in preventing failures associated with those higher-than-expected creep rates. The purpose of this investigation was to obtain missing microstructural information on the evolution of the dislocation structures during static annealing of materials with fcc, bcc and hcp structure and use obtained results to test predictive capabilities of the dislocation network theory of H-D creep. In our view the evolutionary processes during static annealing and during Harper-Dorn creep are intimately related. The materials used in this study were fcc aluminum, hcp zinc and bcc tin. All characterizations of dislocation structures, densities and dislocation link length distributions were carried out using the etch pit method. To obtain quantitative information on the evolution of the dislocation networks during annealing the pure fcc aluminum samples were pre-deformed by creep at 913 and 620 K and then annealed. The higher deformation temperature was selected to generate starting dislocation networks similar to those forming during Harper-Dorn creep and the lower, to obtain higher dislocation densities suitable for reliable estimates of the parameters of the network growth law. The measured experimental link length distribution were, after scaling, (1) the same for all annealing

  12. Phonons dispersions in auxetic lattices

    Energy Technology Data Exchange (ETDEWEB)

    Sparavigna, A [Dipartimento di Fisica, Politecnico di Torino, C.so Duca degli Abruzzi 24, Turin (Italy)

    2007-12-15

    The modes of vibrations in auxetic structures are studied, with models where the two-dimensional lattice is represented by a planar mesh with rod-like particles connected by strings. An auxetic membrane can be obtained modifying a honeycomb one, according to a model proposed by Evans et al. in 1991 and used to explain a negative elastic Poisson's ratio. This property means that auxetic materials have a lateral extension, instead to shrink, when they are stretched. The models here proposed with rod-like particles inserted in the structure have interesting behaviour of acoustic and rotational branches of phonon dispersions. Complete bandgaps of vibrations can be obtained for a proper choice of lattice coupling parameters and distribution of masses in the unit cell of the lattice.

  13. Algebraic lattices in QFT renormalization

    CERN Document Server

    Borinsky, Michael

    2015-01-01

    The structure of overlapping subdivergences, which appear in the perturbative expansions of quantum field theory, is analyzed using algebraic lattice theory. It is shown that for specific QFTs the sets of subdivergences of Feynman diagrams form algebraic lattices. This class of QFTs includes the Standard model. In kinematic renormalization schemes, in which tadpole diagrams vanish, the lattices are semimodular. This implies that the Hopf algebra of Feynman diagrams is graded by the coradical degree or equivalently that every maximal forest has the same length in the scope of BPHZ renormalization. As an application of this framework a formula for the counter terms in zero-dimensional QFT is given together with some examples of the enumeration of primitive or skeleton diagrams.

  14. Kaon fluctuations from lattice QCD

    CERN Document Server

    Noronha-Hostler, Jacquelyn; Gunther, Jana; Parotto, Paolo; Pasztor, Attila; Vazquez, Israel Portillo; Ratti, Claudia

    2016-01-01

    We show that it is possible to isolate a set of kaon fluctuations in lattice QCD. By means of the Hadron Resonance Gas (HRG) model, we calculate the actual kaon second-to-first fluctuation ratio, which receives contribution from primordial kaons and resonance decays, and show that it is very close to the one obtained for primordial kaons in the Boltzmann approximation. The latter only involves the strangeness and electric charge chemical potentials, which are functions of $T$ and $\\mu_B$ due to the experimental constraint on strangeness and electric charge, and can therefore be calculated on the lattice. This provides an unambiguous method to extract the kaon freeze-out temperature, by comparing the lattice results to the experimental values for the corresponding fluctuations.

  15. Hadron Structure on the Lattice

    Science.gov (United States)

    Can, K. U.; Kusno, A.; Mastropas, E. V.; Zanotti, J. M.

    The aim of these lectures will be to provide an introduction to some of the concepts needed to study the structure of hadrons on the lattice. Topics covered include the electromagnetic form factors of the nucleon and pion, the nucleon's axial charge and moments of parton and generalised parton distribution functions. These are placed in a phenomenological context by describing how they can lead to insights into the distribution of charge, spin and momentum amongst a hadron's partonic constituents. We discuss the techniques required for extracting the relevant matrix elements from lattice simulations and draw attention to potential sources of systematic error. Examples of recent lattice results are presented and are compared with results from both experiment and theoretical models.

  16. Nuclear Reactions from Lattice QCD

    CERN Document Server

    Briceño, Raúl A; Luu, Thomas C

    2014-01-01

    One of the overarching goals of nuclear physics is to rigorously compute properties of hadronic systems directly from the fundamental theory of strong interactions, Quantum Chromodynamics (QCD). In particular, the hope is to perform reliable calculations of nuclear reactions which will impact our understanding of environments that occur during big bang nucleosynthesis, the evolution of stars and supernovae, and within nuclear reactors and high energy/density facilities. Such calculations, being truly ab initio, would include all two-nucleon and three- nucleon (and higher) interactions in a consistent manner. Currently, lattice QCD provides the only reliable option for performing calculations of some of the low- energy hadronic observables. With the aim of bridging the gap between lattice QCD and nuclear many-body physics, the Institute for Nuclear Theory held a workshop on Nuclear Reactions from Lattice QCD on March 2013. In this review article, we report on the topics discussed in this workshop and the path ...

  17. Quantum Gravity on the Lattice

    CERN Document Server

    Hamber, Herbert W

    2009-01-01

    I review the lattice approach to quantum gravity, and how it relates to the non-trivial ultraviolet fixed point scenario of the continuum theory. After a brief introduction covering the general problem of ultraviolet divergences in gravity and other non-renormalizable theories, I cover the general methods and goals of the lattice approach. An underlying theme is an attempt at establishing connections between the continuum renormalization group results, which are mainly based on diagrammatic perturbation theory, and the recent lattice results, which should apply to the strong gravity regime and are inherently non-perturbative. A second theme in this review is the ever-present natural correspondence between infrared methods of strongly coupled non-abelian gauge theories on the one hand, and the low energy approach to quantum gravity based on the renormalization group and universality of critical behavior on the other. Towards the end of the review I discuss possible observational consequences of path integral q...

  18. Algebraic Lattices in QFT Renormalization

    Science.gov (United States)

    Borinsky, Michael

    2016-07-01

    The structure of overlapping subdivergences, which appear in the perturbative expansions of quantum field theory, is analyzed using algebraic lattice theory. It is shown that for specific QFTs the sets of subdivergences of Feynman diagrams form algebraic lattices. This class of QFTs includes the standard model. In kinematic renormalization schemes, in which tadpole diagrams vanish, these lattices are semimodular. This implies that the Hopf algebra of Feynman diagrams is graded by the coradical degree or equivalently that every maximal forest has the same length in the scope of BPHZ renormalization. As an application of this framework, a formula for the counter terms in zero-dimensional QFT is given together with some examples of the enumeration of primitive or skeleton diagrams.

  19. Lattice QCD for nuclear physics

    CERN Document Server

    Meyer, Harvey

    2015-01-01

    With ever increasing computational resources and improvements in algorithms, new opportunities are emerging for lattice gauge theory to address key questions in strongly interacting systems, such as nuclear matter. Calculations today use dynamical gauge-field ensembles with degenerate light up/down quarks and the strange quark and it is possible now to consider including charm-quark degrees of freedom in the QCD vacuum. Pion masses and other sources of systematic error, such as finite-volume and discretization effects, are beginning to be quantified systematically. Altogether, an era of precision calculation has begun, and many new observables will be calculated at the new computational facilities.  The aim of this set of lectures is to provide graduate students with a grounding in the application of lattice gauge theory methods to strongly interacting systems, and in particular to nuclear physics.  A wide variety of topics are covered, including continuum field theory, lattice discretizations, hadron spect...

  20. Nucleon structure from lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Dinter, Simon

    2012-11-13

    In this thesis we compute within lattice QCD observables related to the structure of the nucleon. One part of this thesis is concerned with moments of parton distribution functions (PDFs). Those moments are essential elements for the understanding of nucleon structure and can be extracted from a global analysis of deep inelastic scattering experiments. On the theoretical side they can be computed non-perturbatively by means of lattice QCD. However, since the time lattice calculations of moments of PDFs are available, there is a tension between these lattice calculations and the results from a global analysis of experimental data. We examine whether systematic effects are responsible for this tension, and study particularly intensively the effects of excited states by a dedicated high precision computation. Moreover, we carry out a first computation with four dynamical flavors. Another aspect of this thesis is a feasibility study of a lattice QCD computation of the scalar quark content of the nucleon, which is an important element in the cross-section of a heavy particle with the nucleon mediated by a scalar particle (e.g. Higgs particle) and can therefore have an impact on Dark Matter searches. Existing lattice QCD calculations of this quantity usually have a large error and thus a low significance for phenomenological applications. We use a variance-reduction technique for quark-disconnected diagrams to obtain a precise result. Furthermore, we introduce a new stochastic method for the calculation of connected 3-point correlation functions, which are needed to compute nucleon structure observables, as an alternative to the usual sequential propagator method. In an explorative study we check whether this new method is competitive to the standard one. We use Wilson twisted mass fermions at maximal twist in all our calculations, such that all observables considered here have only O(a{sup 2}) discretization effects.

  1. Nucleon structure from lattice QCD

    International Nuclear Information System (INIS)

    In this thesis we compute within lattice QCD observables related to the structure of the nucleon. One part of this thesis is concerned with moments of parton distribution functions (PDFs). Those moments are essential elements for the understanding of nucleon structure and can be extracted from a global analysis of deep inelastic scattering experiments. On the theoretical side they can be computed non-perturbatively by means of lattice QCD. However, since the time lattice calculations of moments of PDFs are available, there is a tension between these lattice calculations and the results from a global analysis of experimental data. We examine whether systematic effects are responsible for this tension, and study particularly intensively the effects of excited states by a dedicated high precision computation. Moreover, we carry out a first computation with four dynamical flavors. Another aspect of this thesis is a feasibility study of a lattice QCD computation of the scalar quark content of the nucleon, which is an important element in the cross-section of a heavy particle with the nucleon mediated by a scalar particle (e.g. Higgs particle) and can therefore have an impact on Dark Matter searches. Existing lattice QCD calculations of this quantity usually have a large error and thus a low significance for phenomenological applications. We use a variance-reduction technique for quark-disconnected diagrams to obtain a precise result. Furthermore, we introduce a new stochastic method for the calculation of connected 3-point correlation functions, which are needed to compute nucleon structure observables, as an alternative to the usual sequential propagator method. In an explorative study we check whether this new method is competitive to the standard one. We use Wilson twisted mass fermions at maximal twist in all our calculations, such that all observables considered here have only O(a2) discretization effects.

  2. Unconventional superconductivity in honeycomb lattice

    Directory of Open Access Journals (Sweden)

    P Sahebsara

    2013-03-01

    Full Text Available   ‎ The possibility of symmetrical s-wave superconductivity in the honeycomb lattice is studied within a strongly correlated regime, using the Hubbard model. The superconducting order parameter is defined by introducing the Green function, which is obtained by calculating the density of the electrons ‎ . In this study showed that the superconducting order parameter appears in doping interval between 0 and 0.5, and x=0.25 is the optimum doping for the s-wave superconductivity in honeycomb lattice.

  3. Lattices, graphs, and Conway mutation

    CERN Document Server

    Greene, Joshua Evan

    2011-01-01

    The d-invariant of an integral, positive definite lattice L records the minimal norm of a characteristic covector in each equivalence class mod 2L. We prove that the 2-isomorphism type of a connected graph is determined by the d-invariant of its lattice of integral cuts (or flows). As an application, we prove that a reduced, alternating link diagram is determined up to mutation by the Heegaard Floer homology of the link's branched double-cover. Thus, alternating links with homeomorphic branched double-covers are mutants.

  4. Chiral symmetry on the lattice

    International Nuclear Information System (INIS)

    The author reviews some of the difficulties associated with chiral symmetry in the context of a lattice regulator. The author discusses the structure of Wilson Fermions when the hopping parameter is in the vicinity of its critical value. Here one flavor contrasts sharply with the case of more, where a residual chiral symmetry survives anomalies. The author briefly discusses the surface mode approach, the use of mirror Fermions to cancel anomalies, and finally speculates on the problems with lattice versions of the standard model

  5. Nuclear Physics from Lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    William Detmold, Silas Beane, Konstantinos Orginos, Martin Savage

    2011-01-01

    We review recent progress toward establishing lattice Quantum Chromodynamics as a predictive calculational framework for nuclear physics. A survey of the current techniques that are used to extract low-energy hadronic scattering amplitudes and interactions is followed by a review of recent two-body and few-body calculations by the NPLQCD collaboration and others. An outline of the nuclear physics that is expected to be accomplished with Lattice QCD in the next decade, along with estimates of the required computational resources, is presented.

  6. Machines for lattice gauge theory

    Energy Technology Data Exchange (ETDEWEB)

    Mackenzie, P.B.

    1989-05-01

    The most promising approach to the solution of the theory of strong interactions is large scale numerical simulation using the techniques of lattice gauge theory. At the present time, computing requirements for convincing calculations of the properties of hadrons exceed the capabilities of even the most powerful commercial supercomputers. This has led to the development of massively parallel computers dedicated to lattice gauge theory. This talk will discuss the computing requirements behind these machines, and general features of the components and architectures of the half dozen major projects now in existence. 20 refs., 1 fig.

  7. Graphene on graphene antidot lattices

    DEFF Research Database (Denmark)

    Gregersen, Søren Schou; Pedersen, Jesper Goor; Power, Stephen;

    2015-01-01

    Graphene bilayer systems are known to exhibit a band gap when the layer symmetry is broken by applying a perpendicular electric field. The resulting band structure resembles that of a conventional semiconductor with a parabolic dispersion. Here, we introduce a bilayer graphene heterostructure......, where single-layer graphene is placed on top of another layer of graphene with a regular lattice of antidots. We dub this class of graphene systems GOAL: graphene on graphene antidot lattice. By varying the structure geometry, band-structure engineering can be performed to obtain linearly dispersing...

  8. The effect of shear deformations on the transition onset pressure of the bcc to hcp pressure induced martensitic phase transformation in iron.

    Science.gov (United States)

    Caspersen, K.; Lew, A.; Ortiz, M.; Carter, E.

    2003-12-01

    At a pressure of approximately 13 GPa iron undergoes a martensitic phase transition from ground state ferro-magnetic bcc to a non-magnetic hcp structure. The exact transformation varies between experiments and is postulated to have a strong dependence on shear stresses during the loading process. To study this shear dependence we have developed a multi-scale model of iron, in which we employ a quantum mechanics based free energy, a kinematically compatible spinodal decomposition of phases, and a dependence on the bcc{}hcp transition path(s). Using this model we see that that the predicted transformation pressure for pure hydrostatic compression is much higher than expected, however with the inclusion of small initial shear deformations we see the predicted transformation pressure drop considerably and into the experimentally determined pressure range.

  9. Grain size engineering of bcc refractory metals: Top-down and bottom-up-Application to tungsten

    International Nuclear Information System (INIS)

    We have used two general methodologies for the production of ultrafine grained (UFG) and nanocrystalline (NC) tungsten (W) metal samples: top-down and bottom-up. In the first, Equal channel angular extrusion (ECAE), coupled with warm rolling has been used to fabricate UFG W, and high pressure torsion (HPT) was used to fabricate NC W. We demonstrate an abrupt shift in the deformation mechanism, particularly under dynamic compressive loading, in UFG and NC W. This novel deformation mechanism, a dramatic transition from a uniform deformation mode to that of localized shearing, is shared by other UFG and NC body-centerd cubic (BCC) metals. We have also conducted a series of bottom-up experiments to consolidate powdered UFG W precursors into solid bodies. The bottom-up approach relies on rapid, high-temperature consolidation, specifically designed for UFG and NC W powders. The mechanical property results from the top-down UFG and NC W were used as minimum property benchmarks to guide and design the experimental protocols and parameters for use in the bottom-up procedures. Preliminary results, showing rapid grain growth during the consolidation cycle, did not achieve full density in the W samples. Further development of high-purity W nanopowders and appropriate grain-growth inhibitors (e.g., Zener pinning) will be required to successfully produce bulk-sized UFG and NC W samples

  10. Formation of Superlattices of Gold Nanoparticles Using Ostwald Ripening in Emulsions: Transition from fcc to bcc Structure.

    Science.gov (United States)

    Schmitt, Julien; Hajiw, Stéphanie; Lecchi, Amélie; Degrouard, Jéril; Salonen, Anniina; Impéror-Clerc, Marianne; Pansu, Brigitte

    2016-06-30

    An efficient method to form 3D superlattices of gold nanoparticles inside oil emulsion droplets is presented. We demonstrate that this method relies on Ostwald ripening, a well-known phenomenon occurring during the aging of emulsions. The key point is that the nanoparticle concentration inside the smaller droplets is increasing very slowly with time, thus inducing the crystallization of the nanoparticles into superlattices. Using oil-in-water emulsions doped with hydrophobic gold nanoparticles, we demonstrate that this method is efficient for different types of oils (toluene, cyclohexane, dodecane, and hexadecane). 3D superlattices of the nanoparticles are obtained, with dimensions reaching a hundred nanometers. The kinetics of the crystallization depends on the solubility of the oil in water but also on the initial concentration of the gold nanoparticles in oil. This method also provides an innovative way to obtain the complete phase diagram of nanoparticle suspensions with concentration. Indeed, during this slow crystallization process, a transition from a disordered suspension to a fcc structure is observed, followed by a transition toward a bcc structure. This evolution with time provides key results to understand the role played by the ligands located at the surface of the nanoparticles in order to control the type of superlattices which are formed. PMID:27267312

  11. Positron studies of interaction between yttrium atoms and vacancies in bcc iron with relevance for ODS nanoparticles formation

    Energy Technology Data Exchange (ETDEWEB)

    He, C.W., E-mail: chenwei.he@cnrs-orleans.fr [CNRS, CEMHTI UPR3079, Univ. Orléans, F-45071 Orléans (France); Barthe, M.F.; Desgardin, P. [CNRS, CEMHTI UPR3079, Univ. Orléans, F-45071 Orléans (France); Akhmadaliev, S. [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, BautznerLandstr. 400, D-01328 Dresden (Germany); Behar, M. [Instituto de Fisica, Av. Bento Gonçalves 9500, Agronomia, Porto Alegre (Brazil); Jomard, F. [GEMac, Univ. Versailles, 45 avenue des Etats Unis, 78035 Versailles cedex (France)

    2014-12-15

    The very high calculated binding energy of vacancy (V)–Y{sub sub} (1.45 eV) in Fe makes it be one possible earliest formation stage of (Y, Ti, O) nanoclusters in ODS alloy. Our direct slow positrons annihilation observations are used to valid the interaction between V and Y. The pure bcc iron samples have been implanted by 1.2 MeV Y ions at three fluences from 1 × 10{sup 14} to 3 × 10{sup 15} cm{sup −2}. Vacancy clusters are observed for all these three fluences. Their size and concentration decrease with Y concentration measured by using SIMS. Two hypotheses are proposed to explain the results, including the formation of complexes V{sub m}–Y{sub n} and/or of precipitates Y{sub m}–X{sub n} (X = Y, O, etc.). In addition, vacancy clusters are detected deeper than predicted by SRIM calculation due to, at least for a part, channelling which is confirmed by Marlowe calculation and SIMS measurements.

  12. Fractal-like behaviour of the BCC/FCC phase separation in the iron-gold alloys.

    Science.gov (United States)

    Błachowski, A; Ruebenbauer, K; Rakowska, A; Kac, S

    2010-03-01

    Iron-gold alloys with compositions Fe(70)Au(30) and Fe(50)Au(50) were prepared by arc melting. The alloys were investigated by means of the high-resolution scanning electron microscopy (SEM-FEG) in the as-cast state and upon annealing in two steps, i.e. at 250 degrees C for 24 h and subsequently at 500 degrees C for 48 h. The alloys were composed of two phases, i.e. a BCC phase rich in iron and a FCC phase rich in gold. The single-phase regions have equivalent diameter of about 50 nm. SEM images show self-similar structure for the spatial distribution of the above phases on scales ranging from about 1 mm till about 100 nm. The roughness of the images has been used to estimate a fractal dimension of the phase mixture. For larger scales of the as-cast samples one finds fractal dimension of about 1.7 for Fe(70)Au(30) composition, i.e. very close to the dimension of typical diffusion limited aggregation (DLA) fractals. For annealed samples, dimension 1.1 was found. PMID:20500404

  13. Formation of Superlattices of Gold Nanoparticles Using Ostwald Ripening in Emulsions: Transition from fcc to bcc Structure.

    Science.gov (United States)

    Schmitt, Julien; Hajiw, Stéphanie; Lecchi, Amélie; Degrouard, Jéril; Salonen, Anniina; Impéror-Clerc, Marianne; Pansu, Brigitte

    2016-06-30

    An efficient method to form 3D superlattices of gold nanoparticles inside oil emulsion droplets is presented. We demonstrate that this method relies on Ostwald ripening, a well-known phenomenon occurring during the aging of emulsions. The key point is that the nanoparticle concentration inside the smaller droplets is increasing very slowly with time, thus inducing the crystallization of the nanoparticles into superlattices. Using oil-in-water emulsions doped with hydrophobic gold nanoparticles, we demonstrate that this method is efficient for different types of oils (toluene, cyclohexane, dodecane, and hexadecane). 3D superlattices of the nanoparticles are obtained, with dimensions reaching a hundred nanometers. The kinetics of the crystallization depends on the solubility of the oil in water but also on the initial concentration of the gold nanoparticles in oil. This method also provides an innovative way to obtain the complete phase diagram of nanoparticle suspensions with concentration. Indeed, during this slow crystallization process, a transition from a disordered suspension to a fcc structure is observed, followed by a transition toward a bcc structure. This evolution with time provides key results to understand the role played by the ligands located at the surface of the nanoparticles in order to control the type of superlattices which are formed.

  14. Extreme lattices and vexillar designs

    NARCIS (Netherlands)

    Meyer, B.

    2009-01-01

    We define a notion of vexillar design for the flag variety in the spirit of the already known spherical designs. We explain how the orbits of any flag under the action of a finite group can be a design. We show that a lattice is locally optimal for the general Hermite constant when its minima form a

  15. Method of manufacturing support lattice

    International Nuclear Information System (INIS)

    The present invention concerns a method of manufacturing a support lattice for a reactor fuel assembly. A plurality of strip-like plates each having recesses formed at a predetermined longitudinal distance from the lateral end toward the lateral center intersect each other with the recesses being engaged to each other to assemble into a lattice-like configuration. Protrusions each extended from the lateral end faces are formed to the upper and the lower portions on the intersection for each of the strip-like plates and a window having a protrusion extended in the lateral direction is disposed in the central portion. Laser beams are condensed by a condenser lens so that the center line thereof agrees with the intersecting line of the strip-like plates. The condensed beams are irradiated vertically to the surface of the strip-like plates in the intermediate portion, to easily elevate temperature locally in the intermediate portion. Thus, a plurality of portions to be welded on the intersecting line of the support lattice can be welded all at once, to shorten the production step for the support lattices. (I.N.)

  16. Triangles in a Lattice Parabola.

    Science.gov (United States)

    Sastry, K. R. S.

    1991-01-01

    Discussed are properties possessed by polygons inscribed in the lattice parabola y=x, including the area of a triangle, triangles of minimum area, conditions for right triangles, triangles whose area is the cube of an integer, and implications of Pick's Theorem. Further directions to pursue are suggested. (MDH)

  17. Fields on a random lattice

    International Nuclear Information System (INIS)

    We review the formulation of field theory and statistical mechanics on a Poissonian random lattice. Topics discussed include random geometry, the construction of field equations for arbitrary spin, the free field spectrum and the question of localization illustrated in the one dimensional case

  18. Differential geometry of group lattices

    International Nuclear Information System (INIS)

    In a series of publications we developed ''differential geometry'' on discrete sets based on concepts of noncommutative geometry. In particular, it turned out that first-order differential calculi (over the algebra of functions) on a discrete set are in bijective correspondence with digraph structures where the vertices are given by the elements of the set. A particular class of digraphs are Cayley graphs, also known as group lattices. They are determined by a discrete group G and a finite subset S. There is a distinguished subclass of ''bicovariant'' Cayley graphs with the property ad(S)S subset of S. We explore the properties of differential calculi which arise from Cayley graphs via the above correspondence. The first-order calculi extend to higher orders and then allow us to introduce further differential geometric structures. Furthermore, we explore the properties of ''discrete'' vector fields which describe deterministic flows on group lattices. A Lie derivative with respect to a discrete vector field and an inner product with forms is defined. The Lie-Cartan identity then holds on all forms for a certain subclass of discrete vector fields. We develop elements of gauge theory and construct an analog of the lattice gauge theory (Yang-Mills) action on an arbitrary group lattice. Also linear connections are considered and a simple geometric interpretation of the torsion is established. By taking a quotient with respect to some subgroup of the discrete group, generalized differential calculi associated with so-called Schreier diagrams are obtained

  19. Nuclear Lattice Simulations with EFT

    International Nuclear Information System (INIS)

    This proceedings article is a summary of results from work done in collaboration with Bugra Borasoy and Thomas Schaefer. We study nuclear and neutron matter by combining chiral effective field theory with non-perturbative lattice methods. We present results for hot neutron matter at temperatures 20 to 40 MeV and densities below twice nuclear matter density

  20. First-principles study of the relaxation and energy of bcc-Fe, fcc-Fe and AISI-304 stainless steel surfaces

    International Nuclear Information System (INIS)

    Relaxations and surface energies of bcc-Fe, fcc-Fe and AISI-304 stainless steel surfaces are investigated by using first-principles total energy calculations. The low-index surfaces (1 0 0), (1 1 0), and (1 1 1) are optimized with respect to the atomic coordinates. The calculations are performed within the density functional framework using the projector augmented plane wave (PAW) method. The structural property, surface relaxations and surface energies of bcc-Fe agree well with experimental data from previous computational studies. For bcc-Fe, the order of surface relaxations and surface energies is (1 1 0) < (1 0 0) < (1 1 1). The orders of surface relaxations and energies for fcc-Fe and AISI-304 stainless steel are (1 1 1) < (1 0 0) < (1 1 0) and (1 0 0) < (1 1 1) < (1 1 0), respectively. The surface energies of AISI-304 stainless steel achieved in this study provide a good basis for future experimental application.

  1. Orbital optical lattices with bosons

    Science.gov (United States)

    Kock, T.; Hippler, C.; Ewerbeck, A.; Hemmerich, A.

    2016-02-01

    This article provides a synopsis of our recent experimental work exploring Bose-Einstein condensation in metastable higher Bloch bands of optical lattices. Bipartite lattice geometries have allowed us to implement appropriate band structures, which meet three basic requirements: the existence of metastable excited states sufficiently protected from collisional band relaxation, a mechanism to excite the atoms initially prepared in the lowest band with moderate entropy increase, and the possibility of cross-dimensional tunneling dynamics, necessary to establish coherence along all lattice axes. A variety of bands can be selectively populated and a subsequent thermalization process leads to the formation of a condensate in the lowest energy state of the chosen band. As examples the 2nd, 4th and 7th bands in a bipartite square lattice are discussed. The geometry of the 2nd and 7th bands can be tuned such that two inequivalent energetically degenerate energy minima arise at the X ±-points at the edge of the 1st Brillouin zone. In this case even a small interaction energy is sufficient to lock the phase between the two condensation points such that a complex-valued chiral superfluid order parameter can emerge, which breaks time reversal symmetry. In the 4th band a condensate can be formed at the Γ-point in the center of the 1st Brillouin zone, which can be used to explore topologically protected band touching points. The new techniques to access orbital degrees of freedom in higher bands greatly extend the class of many-body scenarios that can be explored with bosons in optical lattices.

  2. Turbo Lattices: Construction and Performance Analysis

    CERN Document Server

    Sakzad, Amin; Panario, Daniel

    2011-01-01

    In this paper a new class of lattices called turbo lattices is introduced and established. We use the lattice Construction $D$ to produce turbo lattices. This method needs a set of nested linear codes as its underlying structure. We benefit from turbo codes as our basis codes. Therefore, a set of nested turbo codes based on nested interleavers and nested convolutional codes is built. To this end, we employ both tail-biting and zero-tail convolutional codes. Using these codes, along with construction $D$, turbo lattices are created. Several properties of Construction $D$ lattices and fundamental characteristics of turbo lattices including the minimum distance, coding gain, kissing number and an upper bound on the probability of error under a maximum likelihood decoder over AWGN channel are investigated. Furthermore, a multi-stage turbo lattice decoding algorithm based on iterative turbo decoding algorithm is given. Finally, simulation experiments provide strong agreement with our theoretical results. More prec...

  3. Distributive lattice orderings and Priestley duality

    CERN Document Server

    Krebs, Michel

    2007-01-01

    The ordering relation of a bounded distributive lattice L is a (distributive) (0, 1)-sublattice of L \\times L. This construction gives rise to a functor \\Phi from the category of bounded distributive lattices to itself. We examine the interaction of \\Phi with Priestley duality and characterise those bounded distributive lattices L such that there is a bounded distributive lattice K such that \\Phi(K) is (isomorphic to) L.

  4. Rough Class on a Completely Distributive Lattice

    Institute of Scientific and Technical Information of China (English)

    陈德刚; 张文修; 宋士吉

    2003-01-01

    This paper generalizes the Pawlak rough set method to a completely distributive lattice. Theconcept of a rough set has many applications in data mining. The approximation operators on a completelydistributive lattice are studied, the rough class on a completely distributive lattice is defined and theexpressional theorems of the rough class are proven. These expressional theorems are used to prove that thecollection of all rough classes is an atomic completely distributive lattice.

  5. Rootless pairs of $EE_8$-lattices

    OpenAIRE

    Griess, Jr., Robert L.; lam, Ching Hung

    2008-01-01

    We describe a classification of pairs $M, N$ of lattices isometric to $EE_8:=\\sqrt 2 E_8$ such that the lattice $M + N$ is integral and rootless and such that the dihedral group associated to them has order at most 12. It turns out that most of these pairs may be embedded in the Leech lattice. Complete proofs will appear in another article. This theory of integral lattices has connections to vertex operator algebra theory and moonshine.

  6. Lattice QCD and the CKM matrix

    CERN Document Server

    De Grand, T

    2001-01-01

    These lectures (given at TASI 2000) provide an introduction to lattice methods for nonperturbative studies of Quantum Chromodynamics. Lecture 1 (Ch. 2) is a very vanilla introduction to lattice QCD. Lecture 2 (Ch. 3) describes examples of recent lattice calculations relevant to fixing the parameters of the CKM matrix.

  7. Modal analysis of kagome-lattice structures

    Science.gov (United States)

    Perez, H.; Blakley, S.; Zheltikov, A. M.

    2015-05-01

    The first few lowest order circularly symmetric electromagnetic eigenmodes of a full kagome lattice are compared to those of a kagome lattice with a hexagonal defect. This analysis offers important insights into the physics behind the waveguiding properties of hollow-core fibers with a kagome-lattice cladding.

  8. SIMPLE LATTICE BOLTZMANN MODEL FOR TRAFFIC FLOWS

    Institute of Scientific and Technical Information of China (English)

    Yan Guangwu; Hu Shouxin

    2000-01-01

    A lattice Boltzmann model with 5-bit lattice for traffic flows is proposed.Using the Chapman-Enskog expansion and multi-scale technique,we obtain the higher-order moments of equilibrium distribution function.A simple traffic light problem is simulated by using the present lattice Boltzmann model,and the result agrees well with analytical solution.

  9. Spatiotemporal complexity in coupled map lattices

    International Nuclear Information System (INIS)

    Some spatiotemporal patterns of couple map lattices are presented. The chaotic kink-like motions are shown for the phase motion of the coupled circle lattices. An extension of the couple map lattice approach to Hamiltonian dynamics is briefly reported. An attempt to characterize the high-dimensional attractor by the extension of the correlation dimension is discussed. (author)

  10. Possible lattice organs in Cretaceous Thylacocephala

    NARCIS (Netherlands)

    Lange, Sven; Schram, Frederick R.

    2002-01-01

    Structures, reminiscent of the lattice organs in thecostracan crustaceans, are described from the carapace cuticle of Cretaceous thylacocephalans. The new lattice organ like structures occur in pairs along the dorsal midline. While these have a similar outline to true lattice organs, they seem to la

  11. Clar sextets in square graphene antidot lattices

    DEFF Research Database (Denmark)

    Petersen, Rene; Pedersen, Thomas Garm; Jauho, Antti-Pekka

    2011-01-01

    A periodic array of holes transforms graphene from a semimetal into a semiconductor with a band gap tuneable by varying the parameters of the lattice. In earlier work only hexagonal lattices have been treated. Using atomistic models we here investigate the size of the band gap of a square lattice...

  12. Lattice gaugefixing and other optics in lattice gauge theory

    Energy Technology Data Exchange (ETDEWEB)

    Yee, Ken

    1992-06-01

    We present results from four projects. In the first, quark and gluon propagators and effective masses and {Delta}I = 1/2 Rule operator matching coefficients are computed numerically in gaugefixed lattice QCD. In the second, the same quantities are evaluated analytically in the strong coupling, N {yields} {infinity} limit. In the third project, the Schwinger model is studied in covariant gauges, where we show that the effective electron mass varies with the gauge parameter and that longitudinal gaugefixing ambiguities affect operator product expansion coefficients (analogous to {Delta}I = 1/2 Rule matching coefficients) determined by matching gauge variant matrix elements. However, we find that matching coefficients even if shifted by the unphysical modes are {xi} invariant. In the fourth project, we show that the strong coupling parallelogram lattice Schwinger model as a different thermodynamic limit than the weak coupling continuum limit. As a function of lattice skewness angle these models span the {Delta} = {minus}1 critical line of 6-vertex models which, in turn, have been identified as c = 1 conformal field theories.

  13. Lattice gaugefixing and other optics in lattice gauge theory

    International Nuclear Information System (INIS)

    We present results from four projects. In the first, quark and gluon propagators and effective masses and ΔI = 1/2 Rule operator matching coefficients are computed numerically in gaugefixed lattice QCD. In the second, the same quantities are evaluated analytically in the strong coupling, N → ∞ limit. In the third project, the Schwinger model is studied in covariant gauges, where we show that the effective electron mass varies with the gauge parameter and that longitudinal gaugefixing ambiguities affect operator product expansion coefficients (analogous to ΔI = 1/2 Rule matching coefficients) determined by matching gauge variant matrix elements. However, we find that matching coefficients even if shifted by the unphysical modes are ξ invariant. In the fourth project, we show that the strong coupling parallelogram lattice Schwinger model as a different thermodynamic limit than the weak coupling continuum limit. As a function of lattice skewness angle these models span the Δ = -1 critical line of 6-vertex models which, in turn, have been identified as c = 1 conformal field theories

  14. Fractional random walk lattice dynamics

    CERN Document Server

    Michelitsch, Thomas; Riascos, Alejandro Perez; Nowakowski, Andrzeij; Nicolleau, Franck

    2016-01-01

    We analyze time-discrete and continuous `fractional' random walks on undirected regular networks with special focus on cubic periodic lattices in $n=1,2,3,..$ dimensions.The fractional random walk dynamics is governed by a master equation involving {\\it fractional powers of Laplacian matrices $L^{\\frac{\\alpha}{2}}$}where $\\alpha=2$ recovers the normal walk.First we demonstrate thatthe interval $0\\textless{}\\alpha\\leq 2$ is admissible for the fractional random walk. We derive analytical expressions for fractional transition matrix and closely related the average return probabilities. We further obtain thefundamental matrix $Z^{(\\alpha)}$, and the mean relaxation time (Kemeny constant) for the fractional random walk.The representation for the fundamental matrix $Z^{(\\alpha)}$ relates fractional random walks with normal random walks.We show that the fractional transition matrix elements exihibit for large cubic $n$-dimensional lattices a power law decay of an $n$-dimensional infinite spaceRiesz fractional deriva...

  15. Lattice dynamics of strontium tungstate

    Indian Academy of Sciences (India)

    Prabhatasree Goel; R Mittal; S L Chaplot; A K Tyagi

    2008-11-01

    We report here measurements of the phonon density of states and the lattice dynamics calculations of strontium tungstate (SrWO4). At ambient conditions this compound crystallizes to a body-centred tetragonal unit cell (space group I41/a) called scheelite structure. We have developed transferable interatomic potentials to study the lattice dynamics of this class of compounds. The model parameters have been fitted with respect to the experimentally available Raman and infra-red frequencies and the equilibrium unit cell parameters. Inelastic neutron scattering measurements have been carried out in the triple-axis spectrometer at Dhruva reactor. The measured phonon density of states is in good agreement with the theoretical calculations, thus validating the inter-atomic potential developed.

  16. Innovations in Lattice QCD Algorithms

    International Nuclear Information System (INIS)

    Lattice QCD calculations demand a substantial amount of computing power in order to achieve the high precision results needed to better understand the nature of strong interactions, assist experiment to discover new physics, and predict the behavior of a diverse set of physical systems ranging from the proton itself to astrophysical objects such as neutron stars. However, computer power alone is clearly not enough to tackle the calculations we need to be doing today. A steady stream of recent algorithmic developments has made an important impact on the kinds of calculations we can currently perform. In this talk I am reviewing these algorithms and their impact on the nature of lattice QCD calculations performed today

  17. Lattice dynamics of lithium oxide

    Indian Academy of Sciences (India)

    Prabhatasree Goel; N Choudhury; S L Chaplot

    2004-08-01

    Li2O finds several important technological applications, as it is used in solid-state batteries, can be used as a blanket breeding material in nuclear fusion reactors, etc. Li2O exhibits a fast ion phase, characterized by a thermally induced dynamic disorder in the anionic sub-lattice of Li+, at elevated temperatures around 1200 K. We have carried out lattice-dynamical calculations of Li2O using a shell model in the quasi-harmonic approximation. The calculated phonon frequencies are in excellent agreement with the reported inelastic neutron scattering data. Thermal expansion, specific heat, elastic constants and equation of state have also been calculated which are in good agreement with the available experimental data.

  18. Breathers in strongly anharmonic lattices.

    Science.gov (United States)

    Rosenau, Philip; Pikovsky, Arkady

    2014-02-01

    We present and study a family of finite amplitude breathers on a genuinely anharmonic Klein-Gordon lattice embedded in a nonlinear site potential. The direct numerical simulations are supported by a quasilinear Schrodinger equation (QLS) derived by averaging out the fast oscillations assuming small, albeit finite, amplitude vibrations. The genuinely anharmonic interlattice forces induce breathers which are strongly localized with tails evanescing at a doubly exponential rate and are either close to a continuum, with discrete effects being suppressed, or close to an anticontinuum state, with discrete effects being enhanced. Whereas the D-QLS breathers appear to be always stable, in general there is a stability threshold which improves with spareness of the lattice.

  19. Lattice inputs to Flavor Physics

    CERN Document Server

    Della Morte, Michele

    2015-01-01

    We review recent lattice results for quark masses and low-energy hadronic parameters relevant for flavor physics. We do that by describing the FLAG initiative, with emphasis on its scope and rating criteria. The emerging picture is that while for light quantities a large number of computations using different approaches exist, and this increases the overall confidence on the final averages/estimates, in the heavy-light case the field is less advanced and, with the exception of decay constants, only a few computations are available. The precision reached for the light quantities is such that electromagnetic (EM) corrections, beyond the point-like approximation, are becoming relevant. We discuss recent computations of the spectrum based on direct simulations of QED+QCD. We also present theoretical developments for including EM effects in leptonic decays. We conclude describing recent results for the $K \\to \\pi \\pi$ transition amplitudes and prospects for tackling hadronic decays on the lattice.

  20. Shear Viscosity from Lattice QCD

    CERN Document Server

    Mages, Simon W; Fodor, Zoltán; Schäfer, Andreas; Szabó, Kálmán

    2015-01-01

    Understanding of the transport properties of the the quark-gluon plasma is becoming increasingly important to describe current measurements at heavy ion collisions. This work reports on recent efforts to determine the shear viscosity h in the deconfined phase from lattice QCD. The main focus is on the integration of the Wilson flow in the analysis to get a better handle on the infrared behaviour of the spectral function which is relevant for transport. It is carried out at finite Wilson flow time, which eliminates the dependence on the lattice spacing. Eventually, a new continuum limit has to be carried out which sends the new regulator introduced by finite flow time to zero. Also the non-perturbative renormalization strategy applied for the energy momentum tensor is discussed. At the end some quenched results for temperatures up to 4 : 5 T c are presented

  1. Innovations in Lattice QCD Algorithms

    Energy Technology Data Exchange (ETDEWEB)

    Konstantinos Orginos

    2006-06-25

    Lattice QCD calculations demand a substantial amount of computing power in order to achieve the high precision results needed to better understand the nature of strong interactions, assist experiment to discover new physics, and predict the behavior of a diverse set of physical systems ranging from the proton itself to astrophysical objects such as neutron stars. However, computer power alone is clearly not enough to tackle the calculations we need to be doing today. A steady stream of recent algorithmic developments has made an important impact on the kinds of calculations we can currently perform. In this talk I am reviewing these algorithms and their impact on the nature of lattice QCD calculations performed today.

  2. Lattice Embedding of Heronian Simplices

    CERN Document Server

    Lunnon, W Fred

    2012-01-01

    A rational triangle has rational edge-lengths and area; a rational tetrahedron has rational faces and volume; either is Heronian when its edge-lengths are integer, and proper when its content is nonzero. A variant proof is given, via complex number GCD, of the previously known result that any Heronian triangle may be embedded in the Cartesian lattice Z^2; it is then shown that, for a proper triangle, such an embedding is unique modulo lattice isometry; finally the method is extended via quaternion GCD to tetrahedra in Z^3, where uniqueness no longer obtains, and embeddings also exist which are unobtainable by this construction. The requisite complex and quaternionic number theoretic background is summarised beforehand. Subsequent sections engage with subsidiary implementation issues: initial rational embedding, canonical reduction, exhaustive search for embeddings additional to those yielded via GCD; and illustrative numerical examples are provided. A counter-example shows that this approach must fail in high...

  3. Qcd Thermodynamics On A Lattice

    CERN Document Server

    Levkova, L A

    2004-01-01

    Numerical simulations of full QCD on anisotropic lattices provide a convenient way to study QCD thermodynamics with fixed physics scales and reduced lattice spacing errors. We report results from calculations with two flavors of dynamical staggered fermions, where all bare parameters and the renormalized anisotropy are kept constant and the temperature is changed in small steps by varying only the number of time slices. Including results from zero- temperature scale setting simulations, which determine the Karsch coefficients, allows for the calculation of the Equation of State at finite temperatures. We also report on studies of the chiral properties of dynamical domain-wall fermions combined with the DBW2 gauge action for different gauge couplings and fermion masses. For quenched theories, the DBW2 action gives a residual chiral symmetry breaking much smaller than what was found with more traditional choices for the gauge action. Our goal is to investigate the possibilities which this and further improvemen...

  4. The effects of rapid solidification on microstructure and hydrogen sorption properties of binary BCC Ti–V alloys

    Energy Technology Data Exchange (ETDEWEB)

    Suwarno, S., E-mail: S.Suwarno@uu.nl [Department of Materials Science and Engineering, NTNU, NO-7491, Trondheim (Norway); Solberg, J.K. [Department of Materials Science and Engineering, NTNU, NO-7491, Trondheim (Norway); Maehlen, J.P. [Institute for Energy Technology, P.O. Box 40, NO-2027, Kjeller (Norway); Krogh, B. [Statoil ASA Research Centre, Rotvoll, NO-7005, Trondheim (Norway); Yartys, V.A. [Department of Materials Science and Engineering, NTNU, NO-7491, Trondheim (Norway); Institute for Energy Technology, P.O. Box 40, NO-2027, Kjeller (Norway)

    2014-01-05

    Highlights: • Effect of quenching rate and Ti/V ratio on the phase-structural composition. • Grain size refinement in the rapidly solidified Ti–V alloys. • Hydrogen storage properties of rapidly solidified binary Ti–V. • Mechanism of phase transformations in the hydrides of the RS Ti–V alloys. -- Abstract: The main purpose of the present work was to study the effect of rapid solidification (RS) on the microstructure and hydrogen storage properties of body centred cubic (BCC) Ti rich Ti–V alloys (Ti{sub 1−x}V{sub x}, x = 0.1–0.3). Ribbons were prepared by melt spinning at spinner rotation velocities of 1000–3000 rpm. Ribbon morphology and microstructure were found to depend on the vanadium content and spinner velocity. For Ti{sub 0.8}V{sub 0.2}, the relation between the ribbon thickness and velocity can be expressed as a power law function, indicating that, during solidification of the Ti–V ribbons, heat transfer at the interface between spinner and ribbon controls the heat extraction. Temperature desorption spectroscopy (TDS) and in situ synchrotron (SR-XRD) studies of the RS alloys showed that hydrogen desorption from the RS alloy hydrides occurred at lower temperatures than from the as cast alloys. RS caused a microscale chemical element separation in the alloys, which depends on the vanadium content and the spinner velocity. In addition, ribbon recalescence was observed to cause nanoscale chemical redistribution trough spinodal decomposition. These two last features were proposed to be the reasons for the observed thermal destabilisation.

  5. Stable kagome lattices from group IV elements

    Science.gov (United States)

    Leenaerts, O.; Schoeters, B.; Partoens, B.

    2015-03-01

    A thorough investigation of three-dimensional kagome lattices of group IV elements is performed with first-principles calculations. The investigated kagome lattices of silicon and germanium are found to be of similar stability as the recently proposed carbon kagome lattice. Carbon and silicon kagome lattices are both direct-gap semiconductors but they have qualitatively different electronic band structures. While direct optical transitions between the valence and conduction bands are allowed in the carbon case, no such transitions can be observed for silicon. The kagome lattice of germanium exhibits semimetallic behavior but can be transformed into a semiconductor after compression.

  6. Algorithms for lattice QCD: progress and challenges

    CERN Document Server

    Schaefer, Stefan

    2011-01-01

    The development of improved algorithms for QCD on the lattice has enabled us to do calculations at small quark masses and get control over the chiral extrapolation. Also finer lattices have become possible, however, a severe slowing down associated with the topology of the gauge fields has been observed. This may prevent simulations of lattices fine enough for controlling the continuum extrapolation. This conference contribution introduces the basic concepts behind contemporary lattice algorithms, the current knowledge about their slowing down towards the continuum and its consequences for future lattice simulations.

  7. A Lattice-Gas Model of Microemulsions

    CERN Document Server

    Boghosian, B M; Emerton, A N; Boghosian, Bruce M.; Coveney, Peter V.; Emerton, Andrew N.

    1995-01-01

    We develop a lattice gas model for the nonequilibrium dynamics of microemulsions. Our model is based on the immiscible lattice gas of Rothman and Keller, which we reformulate using a microscopic, particulate description so as to permit generalisation to more complicated interactions, and on the prescription of Chan and Liang for introducing such interparticle interactions into lattice gas dynamics. We present the results of simulations to demonstrate that our model exhibits the correct phenomenology, and we contrast it with both equilibrium lattice models of microemulsions, and to other lattice gas models.

  8. Multiphase cascaded lattice Boltzmann method

    OpenAIRE

    Lycett-Brown, D.; Luo, K. H.

    2014-01-01

    To improve the stability of the lattice Boltzmann method (LBM) at high Reynolds number the cascaded LBM has recently been introduced. As in the multiple relaxation time (MRT) method the cascaded LBM introduces additional relaxation times into the collision operator, but does so in a co-moving reference frame. This has been shown to significantly increase stability at low viscosity in the single phase case. Here the cascaded LBM is further developed to include multiphase flow. For this the for...

  9. Symplectic maps for accelerator lattices

    Energy Technology Data Exchange (ETDEWEB)

    Warnock, R.L.; Ruth, R.; Gabella, W.

    1988-05-01

    We describe a method for numerical construction of a symplectic map for particle propagation in a general accelerator lattice. The generating function of the map is obtained by integrating the Hamilton-Jacobi equation as an initial-value problem on a finite time interval. Given the generating function, the map is put in explicit form by means of a Fourier inversion technique. We give an example which suggests that the method has promise. 9 refs., 9 figs.

  10. Scale setting in lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Sommer, Rainer [DESY, Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

    2014-02-15

    The principles of scale setting in lattice QCD as well as the advantages and disadvantages of various commonly used scales are discussed. After listing criteria for good scales, I concentrate on the main presently used ones with an emphasis on scales derived from the Yang-Mills gradient flow. For these I discuss discretisation errors, statistical precision and mass effects. A short review on numerical results also brings me to an unpleasant disagreement which remains to be explained.

  11. Hadron Physics from Lattice QCD

    CERN Document Server

    Bietenholz, Wolfgang

    2016-01-01

    We sketch the basic ideas of the lattice regularization in Quantum Field Theory, the corresponding Monte Carlo simulations, and applications to Quantum Chromodynamics (QCD). This approach enables the numerical measurement of observables at the non-perturbative level. We comment on selected results, with a focus on hadron masses and the link to Chiral Perturbation Theory. At last we address two outstanding issues: topological freezing and the sign problem.

  12. Pion structure form lattice QCD

    OpenAIRE

    Javadi Motaghi, Narjes

    2015-01-01

    In this thesis we use lattice QCD to compute the second Mellin moments of pion generalized parton distributions and pion electromagnetic form factors. For our calculations we are able to analyze a large set of gauge configurations with 2 dynamical flavours using non-perturbatively the improved Wilson-Sheikholeslami-Wohlert fermionic action pion masses ranging down to 151 MeV. By employing improved smearing we were able to suppress excited state contamination. However, our data in the ph...

  13. Lattice engineering technology and applications

    CERN Document Server

    Wang, Shumin

    2012-01-01

    This book contains comprehensive reviews of different technologies to harness lattice mismatch in semiconductor heterostructures and their applications in electronic and optoelectronic devices. While the book is a bit focused on metamorphic epitaxial growth, it also includes other methods like compliant substrate, selective area growth, wafer bonding and heterostructure nanowires etc. Basic knowledge on dislocations in semiconductors and innovative methods to eliminate threading dislocations are provided, and successful device applications are reviewed. It covers a variety of important semicon

  14. Manipulation and control of a bichromatic lattice

    Science.gov (United States)

    Thomas, Claire; Barter, Thomas; Daiss, Severin; Leung, Zephy; Stamper-Kurn, Dan

    2015-05-01

    Recent experiments with ultracold atoms in optical lattices have had great success emulating the simple models of condensed matter systems. These experiments are typically performed with a single site per unit cell. We realize a lattice with up to four sites per unit cell by overlaying an attractive triangular lattice with a repulsive one at twice the wavelength. The relative displacement of the two lattices determines the particular structure. One available configuration is the kagome lattice, which has a flat energy band. In the flat band all kinetic energy states are degenerate, so we have the opportunity to explore a regime where interactions dominate. This bichromatic lattice requires careful stabilization, but offers an opportunity to manipulate the unit cell and band structure by perturbing the lattices relative to one another. I will discuss recent progress.

  15. The Algebraic Properties of Concept Lattice

    Institute of Scientific and Technical Information of China (English)

    KaisheQu; JiyeLiang; JunhongWang; ZhongzhiShi

    2004-01-01

    Concept lattice is a powerful tool for data analysis. It has been applied widely to machine learning, knowledge discovery and software engineering and so on. Some aspects of concept lattice have been studied widely such as building lattice and rules extraction, as for its algebraic properties, there has not been discussed systematically. The paper suggests a binary operation between the elements for the set of all concepts in formal context. This turns the concept lattice in general significance into those with operators. We also proved that the concept lattice is a lattice in algebraic significance and studied its algebraic properties.These results provided theoretical foundation and a new method for further study of concept lattice.

  16. Diagonal lattices and rootless $EE_8$ pairs

    CERN Document Server

    Griess, Robert L; Lam, Ching Hung

    2011-01-01

    Let E be an integral lattice. We first discuss some general properties of an SDC lattice, i.e., a sum of two diagonal copies of E in E \\bot E. In particular, we show that its group of isometries contains a wreath product. We then specialize this study to the case of E = E_8 and provide a new and fairly natural model for those rootless lattices which are sums of a pair of EE_8-lattices. This family of lattices was classified in [7]. We prove that this set of isometry types is in bijection with the set of conjugacy classes of rootless elements in the isometry group O(E_8), i.e., those h \\in O(E_8) such that the sublattice (h - 1)E_8 contains no roots. Finally, our model gives new embeddings of several of these lattices in the Leech lattice.

  17. Attribute Extended Algorithm of Lattice-Valued Concept Lattice Based on Congener Formal Context

    Directory of Open Access Journals (Sweden)

    Li Yang

    2014-01-01

    Full Text Available This paper is the continuation of our research work about lattice-valued concept lattice based on lattice implication algebra. For a better application of lattice-valued concept lattice into data distributed storage and parallel processing, it is necessary to research attribute extended algorithm based on congener formal context. The definitions of attribute extended formal context and congener formal context are proposed. On condition that the extent set stays invariable when the new attribute is increased, the necessary and sufficient conditions of forming attribute values are researched. Based on these conditions, the algorithms of generating lattice-valued congener formal context and establishing concept lattice are given, by which we can provide a useful basis for union algorithm and constructing algorithm of lattice-valued concept lattices in distributed and parallel system.

  18. 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.

  19. Basal Cell Carcinoma (BCC)

    Science.gov (United States)

    ... epithelioma, is the most common form of skin cancer. Basal cell carcinoma usually occurs on sun-damaged skin, especially ... other health issues. Infiltrating or morpheaform basal cell carcinomas: Infiltrating basal cell carcinomas can be more aggressive and locally destructive ...

  20. One-dimensional lattices topologically equivalent to two-dimensional lattices within the context of the lattice gas model

    Science.gov (United States)

    Costanza, E. F.; Costanza, G.

    2016-10-01

    Continuum partial differential equations are obtained from a set of discrete stochastic evolution equations of both non-Markovian and Markovian processes and applied to the diffusion within the context of the lattice gas model. A procedure allowing to construct one-dimensional lattices that are topologically equivalent to two-dimensional lattices is described in detail in the case of a rectangular lattice. This example shows the general features that possess the procedure and extensions are also suggested in order to provide a wider insight in the present approach.

  1. Unconventional superconductivity in honeycomb lattice

    OpenAIRE

    P. Sahebsara; R Mohammadi

    2013-01-01

      ‎ The possibility of symmetrical s-wave superconductivity in the honeycomb lattice is studied within a strongly correlated regime, using the Hubbard model. The superconducting order parameter is defined by introducing the Green function, which is obtained by calculating the density of the electrons ‎ . In this study showed that the superconducting order parameter appears in doping interval between 0 and 0.5, and x=0.25 is the optimum doping for the s-wave superconductivity in honeycomb latt...

  2. Screening in graphene antidot lattices

    DEFF Research Database (Denmark)

    Schultz, Marco Haller; Jauho, A. P.; Pedersen, T. G.

    2011-01-01

    ); this reflects the miniband structure and the associated van Hove singularities of the antidot lattice. The polarization functions depend on the azimuthal angle of the q vector. We develop approximations to ease the numerical work and critically evaluate the performance of the various schemes. We also compute...... the plasmon dispersion law and find an approximate square-root dependence with a suppressed plasmon frequency as compared to doped graphene. The plasmon dispersion is nearly isotropic and the developed approximation schemes agree well with the full calculation....

  3. Gluonic interactions from lattice QCD

    International Nuclear Information System (INIS)

    Gluonic interactions are studied within lattice QCD. Hybrid mesons in which the gluonic field is excited into a higher energy state are evidenced from studying the static source potential and discovering that there is a spectrum of such potentials V/sub i/(R) unlike the unique potential obtained in electrodynamics. Results of the string tension K, namely (V(R+a)-V(R))/a, have been reanalyzed and using variational methods excellent consistency was achieved and is presented as a plot of V(R) versus R. Potentials corresponding to excited states of the gluonic field are obtained as main new results

  4. The lattice dynamics of imidazole

    International Nuclear Information System (INIS)

    The lattice dynamics of imidazole have been investigated. To this end dispersion curves have been determined at 10 K by inelastic coherent neutron scattering. RAMAN measurements have been done to investigate identical gamma - point modes. The combination of extinction rules for RAMAN - and neutron scattering leads to the symmetry assignment of identical gamma - point modes. The experiment yields a force constant of the streching vibration of the hydrogen bond of 0.33 mdyn/A. A force model has been developed to describe the intermolecular atom - atom Interactions in imidazole. (orig./BHO)

  5. Solitary waves on tensegrity lattices

    Science.gov (United States)

    Fraternali, F.; Senatore, L.; Daraio, C.

    2012-06-01

    We study the dynamics of lattices formed by masses connected through tensegrity prisms. By employing analytic and numerical arguments, we show that such structures support two limit dynamic regimes controlled by the prisms' properties: (i) in the low-energy (sonic) regime the system supports the formation and propagation of solitary waves which exhibit sech2 shape and (ii) in the high-energy (ultrasonic) regime the system supports atomic-scale localization. Such peculiar features found in periodic arrays of tensegrity structures suggest their use for the creation of new composite materials (here called "tensegrity materials") of potential interest for applications in impact absorption, energy localization and in new acoustic devices.

  6. Lattice Stern-Gerlach experiment

    CERN Document Server

    Luschevskaya, E V; Teryaev, O V

    2016-01-01

    We investigate the dependence of ground state energies of charged vector $\\rho$ and $K^{*}$ mesons on the value of magnetic field in the $SU(3)$ lattice gauge theory. It has been shown that the energy of a vector particle strongly depends on its spin projection on the field axis, and the magnetic dypole polarizability and hyperpolarizabilities give a large contribution to the meson energy at large fields. We calculate the g-factor of $\\rho^{\\pm}$ and $K^{*\\pm}$ mesons. Tensor of the dypole magnetic polarizability of the charged $\\rho$ meson at rest has been found.

  7. Beautiful Baryons from Lattice QCD

    OpenAIRE

    Alexandrou, C.; Borrelli, A; Güsken, S.; Jegerlehner, F.; K. Schilling; Siegert, G.; Sommer, R

    1994-01-01

    We perform a lattice study of heavy baryons, containing one ($\\Lambda_b$) or two $b$-quarks ($\\Xi_b$). Using the quenched approximation we obtain for the mass of $\\Lambda_b$ $$ M_{\\Lambda_b}= 5.728 \\pm 0.144 \\pm 0.018 {\\rm GeV}.$$ The mass splitting between the $\\Lambda_b$ and the B-meson is found to increase by about 20\\% if the light quark mass is varied from the chiral limit to the strange quark mass.

  8. Counting arithmetic lattices and surfaces

    OpenAIRE

    Belolipetsky, Mikhail; Gelander, Tsachik; Lubotzky, Alexander; Shalev, Aner

    2010-01-01

    We give estimates on the number $AL_H(x)$ of arithmetic lattices $\\Gamma$ of covolume at most $x$ in a simple Lie group $H$. In particular, we obtain a first concrete estimate on the number of arithmetic 3-manifolds of volume at most $x$. Our main result is for the classical case $H=PSL(2,R)$ where we compute the limit of $\\log AL_H(x) / x\\log x$ when $x\\to\\infty$. The proofs use several different techniques: geometric (bounding the number of generators of $\\Gamma$ as a function of its covolu...

  9. Effects of PEO-PPO diblock impurities on the cubic structure of aqueous PEO-PPO-PEO pluronics micelles: fcc and bcc ordered structures in F127

    DEFF Research Database (Denmark)

    Mortensen, Kell; Pedersen, Walther Batsberg; Hvidt, S.

    2008-01-01

    We report on structural properties of PEO-PPO-PEO type of triblock block copolymers (Pluronics F127) with special emphasis on the effect of diblock PEO-PPO impurities on the ordered gel phase. Commercial F127 polymers contain as received roughly 20% PEO-PPO diblock and 80% PEO-PPO-PEO triblock co...... to the disorder-to-order transition, the purified F 127 copolymer system also forms fcc structure, thus giving rise to a novel sequence of micellar phases: disorder-fcc-bcc. This is the phase sequence predicted theoretically for pure block copolymer melts....

  10. Working Group Report: Lattice Field Theory

    Energy Technology Data Exchange (ETDEWEB)

    Blum, T.; et al.,

    2013-10-22

    This is the report of the Computing Frontier working group on Lattice Field Theory prepared for the proceedings of the 2013 Community Summer Study ("Snowmass"). We present the future computing needs and plans of the U.S. lattice gauge theory community and argue that continued support of the U.S. (and worldwide) lattice-QCD effort is essential to fully capitalize on the enormous investment in the high-energy physics experimental program. We first summarize the dramatic progress of numerical lattice-QCD simulations in the past decade, with some emphasis on calculations carried out under the auspices of the U.S. Lattice-QCD Collaboration, and describe a broad program of lattice-QCD calculations that will be relevant for future experiments at the intensity and energy frontiers. We then present details of the computational hardware and software resources needed to undertake these calculations.

  11. High frequency homogenisation for elastic lattices

    CERN Document Server

    Colquitt, D J; Makwana, M

    2014-01-01

    A complete methodology, based on a two-scale asymptotic approach, that enables the homogenisation of elastic lattices at non-zero frequencies is developed. Elastic lattices are distinguished from scalar lattices in that two or more types of coupled waves exist, even at low frequencies. Such a theory enables the determination of effective material properties at both low and high frequencies. The theoretical framework is developed for the propagation of waves through lattices of arbitrary geometry and dimension. The asymptotic approach provides a method through which the dispersive properties of lattices at frequencies near standing waves can be described; the theory accurately describes both the dispersion curves and the response of the lattice near the edges of the Brillouin zone. The leading order solution is expressed as a product between the standing wave solution and long-scale envelope functions that are eigensolutions of the homogenised partial differential equation. The general theory is supplemented b...

  12. Performance comparisons of low emittance lattices

    International Nuclear Information System (INIS)

    The results of a performance analysis of four low emittance electron storage ring lattices provided to the authors by various members of the Lattice Working Group is presented. Altogether, four lattices were investigated. The beam energies of the four lattices are, respectively, 1.1, 2, 3, 4 GeV). A brief summary of the lattice parameters relevant to this study is given. The performance issues studied include an estimation of the longitudinal emittance expected for each lattice based on the effects of the longitudinal microwave instability, an estimation of the transverse emittance growth of the (required) dense bunches under the influence of intrabeam scattering (IBS), and an estimate of the Touschek lifetime. The analysis described here has been carried out with the LBL accelerator physics code ZAP

  13. Increased magnetic moment induced by lattice expansion from α-Fe to α′-Fe{sub 8}N

    Energy Technology Data Exchange (ETDEWEB)

    Dirba, Imants, E-mail: dirba@fm.tu-darmstadt.de; Komissinskiy, Philipp; Alff, Lambert, E-mail: alff@oxide.tu-darmstadt.de [Institute of Materials Science, Technische Universität Darmstadt, 64287 Darmstadt (Germany); Gutfleisch, Oliver [Institute of Materials Science, Technische Universität Darmstadt, 64287 Darmstadt (Germany); Fraunhofer-Projektgruppe für Wertstoffkreisläufe und Ressourcenstrategie IWKS, 63457 Hanau (Germany)

    2015-05-07

    Buffer-free and epitaxial α-Fe and α′-Fe{sub 8}N{sub x} thin films have been grown by RF magnetron sputtering onto MgO (100) substrates. The film thicknesses were determined with high accuracy by evaluating the Kiessig fringes of X-ray reflectometry measurements allowing a precise volume estimation. A gradual increase of the nitrogen content in the plasma led to an expansion of the iron bcc unit cell along the [001] direction resulting finally in a tetragonal distortion of about 10% corresponding to the formation of α′-Fe{sub 8}N. The α-Fe lattice expansion was accompanied by an increase in magnetic moment to 2.61 ± 0.06μ{sub B} per Fe atom and a considerable increase in anisotropy. These experiments show that—without requiring any additional ordering of the nitrogen atoms—the lattice expansion of α-Fe itself is the origin of the increased magnetic moment in α′-Fe{sub 8}N.

  14. A Viscosity Adaptive Lattice Boltzmann Method

    OpenAIRE

    Conrad, Daniel

    2015-01-01

    The present thesis describes the development and validation of a viscosity adaption method for the numerical simulation of non-Newtonian fluids on the basis of the Lattice Boltzmann Method (LBM), as well as the development and verification of the related software bundle SAM-Lattice. By now, Lattice Boltzmann Methods are established as an alternative approach to classical computational fluid dynamics methods. The LBM has been shown to be an accurate and efficient tool for the numerical...

  15. First principles analysis of lattice dynamics for Fe-based superconductors and entropically-stabilized phases

    Energy Technology Data Exchange (ETDEWEB)

    Hahn, Steven [Iowa State Univ., Ames, IA (United States)

    2012-01-01

    Modern calculations are becoming an essential, complementary tool to inelastic x-ray scattering studies, where x-rays are scattered inelastically to resolve meV phonons. Calculations of the inelastic structure factor for any value of Q assist in both planning the experiment and analyzing the results. Moreover, differences between the measured data and theoretical calculations help identify important new physics driving the properties of novel correlated systems. We have used such calculations to better and more e ciently measure the phonon dispersion and elastic constants of several iron pnictide superconductors. This dissertation describes calculations and measurements at room temperature in the tetragonal phase of CaFe{sub 2}As{sub 2} and LaFeAsO. In both cases, spin-polarized calculations imposing the antiferromagnetic order present in the low-temperature orthorhombic phase dramatically improves the agreement between theory and experiment. This is discussed in terms of the strong antiferromagnetic correlations that are known to persist in the tetragonal phase. In addition, we discuss a relatively new approach called self-consistent ab initio lattice dynamics (SCAILD), which goes beyond the harmonic approximation to include phonon-phonon interactions and produce a temperature-dependent phonon dispersion. We used this technique to study the HCP to BCC transition in beryllium.

  16. Lattice theory special topics and applications

    CERN Document Server

    Wehrung, Friedrich

    2014-01-01

    George Grätzer's Lattice Theory: Foundation is his third book on lattice theory (General Lattice Theory, 1978, second edition, 1998). In 2009, Grätzer considered updating the second edition to reflect some exciting and deep developments. He soon realized that to lay the foundation, to survey the contemporary field, to pose research problems, would require more than one volume and more than one person. So Lattice Theory: Foundation provided the foundation. Now we complete this project with Lattice Theory: Special Topics and Applications, written by a distinguished group of experts, to cover some of the vast areas not in Foundation. This first volume is divided into three parts. Part I. Topology and Lattices includes two chapters by Klaus Keimel, Jimmie Lawson and Ales Pultr, Jiri Sichler. Part II. Special Classes of Finite Lattices comprises four chapters by Gabor Czedli, George Grätzer and Joseph P. S. Kung. Part III. Congruence Lattices of Infinite Lattices and Beyond includes four chapters by Friedrich W...

  17. Light propagation in optically induced Fibonacci lattices

    CERN Document Server

    Boguslawski, Martin; Timotijevic, Dejan V; Denz, Cornelia; Savic, Dragana M Jovic

    2015-01-01

    We report on the optical induction of Fibonacci lattices in photorefractive strontium barium niobate by use of Bessel beam waveguide-wise writing techniques. Fibonacci elements A and B are used as lattice periods. We further use the induced structures to execute probing experiments with variously focused Gaussian beams in order to observe light confinement owing to the quasiperiodic character of Fibonacci word sequences. Essentially, we show that Gaussian beam expansion is just slowed down in Fibonacci lattices, as compared with appropriate periodic lattices.

  18. Spin Chains and Chiral Lattice Fermions

    CERN Document Server

    Thacker, H B

    1995-01-01

    The generalization of Lorentz invariance to solvable two-dimensional lattice fermion models has been formulated in terms of Baxter's corner transfer matrix. In these models, the lattice Hamiltonian and boost operator are given by fermionized nearest-neighbor Heisenberg spin chain operators. The transformation properties of the local lattice fermion operators under a boost provide a natural and precise way of generalizing the chiral structure of a continuum Dirac field to the lattice. The resulting formulation differs from both the Wilson and staggered (Kogut-Susskind) prescriptions. In particular, an axial $Q_5$ rotation is sitewise local, while the vector charge rotation mixes nearest neighbors on even and odd sublattices.

  19. The lattice of idempotent distributive semiring varieties

    Institute of Scientific and Technical Information of China (English)

    F.Pastijn; 郭聿琦

    1999-01-01

    A solution is given for the word problem for free idempotent distributive semirings. Using this solution the lattice L(ID) of subvarieties of the variety ID of idempotent distributive semirings is determined. It turns out that L(ID) is isomorphic to the direct product of a four-element lattice and a lattice which is itself a subdirect product of four copies of the lattice L (B) of all band varieties. Therefore L(ID) is countably infinite and distributive. Every subvariety of ID is finitely based.

  20. The Developement of A Lattice Structured Database

    DEFF Research Database (Denmark)

    Bruun, Hans

    In this project we have investigated the possibilities to make a system based on the concept algebra described in [3], [4] and [5]. The concept algebra is used for ontology specification and knowledge representation. It is a distributive lattice extended with attribution operations. One of the main...... to a given set of inserted terms, that is the smallest lattice where the inserted terms preserve their value compared to the value in the initial algebra/lattice. The database is the dual representation of this most disjoint lattice. We develop algorithms to construct and make queries to the database....

  1. Holographic Lattices Give the Graviton a Mass

    CERN Document Server

    Blake, Mike; Vegh, David

    2014-01-01

    We discuss the DC conductivity of holographic theories with translational invariance broken by a background lattice. We show that the presence of the lattice induces an effective mass for the graviton via a gravitational version of the Higgs mechanism. This allows us to obtain, at leading order in the lattice strength, an analytic expression for the DC conductivity in terms of the size of the lattice at the horizon. In locally critical theories this leads to a power law resistivity that is in agreement with an earlier field theory analysis of Hartnoll and Hofman.

  2. On the lattice rotations accompanying slip

    DEFF Research Database (Denmark)

    Wronski, M.; Wierzbanowski, K.; Leffers, Torben

    2013-01-01

    of the crystal lattices, and this texture may have a strong effect on the properties of the materials. The texture is introduced by lattice rotations in the individual grains during processing. The present critical assessment deals with the lattice rotations during rolling of face centred cubic (fcc) metals...... and alloys. Sixteen years ago, a modification of the traditional procedure for the calculation of these lattice rotations was suggested, a modification that would permit a realistic modelling of the development of the brass type texture, one of the two types of texture developed during rolling of fcc...

  3. Midwest cousins of Barnes-Wall lattices

    OpenAIRE

    Griess Jr., Robert L.

    2009-01-01

    Given a rational lattice and suitable set of linear transformations, we construct a cousin lattice. Sufficient conditions are given for integrality, evenness and unimodularity. When the input is a Barnes-Wall lattice, we get multi-parameter series of cousins. There is a subseries consisting of unimodular lattices which have ranks $2^{d-1}\\pm 2^{d-k-1}$, for odd integers $d\\ge 3$ and integers $k=1,2, ..., \\frac {d-1}2$. Their minimum norms are moderately high: $2^{\\lfloor \\frac d2 \\rfloor -1}$.

  4. Fuzzy Ideals and Fuzzy Distributive Lattices%Fuzzy Ideals and Fuzzy Distributive Lattices*

    Institute of Scientific and Technical Information of China (English)

    S.H.Dhanani; Y. S. Pawar

    2011-01-01

    Our main objective is to study properties of a fuzzy ideals (fuzzy dual ideals). A study of special types of fuzzy ideals (fuzzy dual ideals) is also furnished. Some properties of a fuzzy ideals (fuzzy dual ideals) are furnished. Properties of a fuzzy lattice homomorphism are discussed. Fuzzy ideal lattice of a fuzzy lattice is defined and discussed. Some results in fuzzy distributive lattice are proved.

  5. Primordial hexagonal phase formation during the bcc dezincification of the {beta} Cu-Zn single crystalline surface: Matrix instabilization and transformation path

    Energy Technology Data Exchange (ETDEWEB)

    Baruj, A. [Centro Atomico Bariloche and Instituto Balseiro, Comision Nacional de Energia Atomica (CNEA), (8400) San Carlos de Bariloche, Rio Negro (Argentina); CONICET (Argentina)], E-mail: baruj@cab.cnea.gov.ar; Granada, M.; Arneodo Larochette, P. [Centro Atomico Bariloche and Instituto Balseiro, Comision Nacional de Energia Atomica (CNEA), (8400) San Carlos de Bariloche, Rio Negro (Argentina); CONICET (Argentina); Sommadossi, S. [F. Ingenieria, U. N. Comahue, Buenos Aires 1400, (8300) Neuquen (Argentina); CONICET (Argentina); Troiani, H.E. [Centro Atomico Bariloche and Instituto Balseiro, Comision Nacional de Energia Atomica (CNEA), (8400) San Carlos de Bariloche, Rio Negro (Argentina); CONICET (Argentina)

    2009-07-29

    Subjecting Cu-Zn samples to annealing under dynamical vacuum produces the evaporation of Zn, a process known as dezincification. Here, we study the phase transitions related to dezincification of Cu-48 at.% Zn (bcc, Beta phase) single crystalline surfaces with residual stresses due to mechanical polishing. In order to identify different steps in the dezincification process of these deformed samples we apply a combination of in situ optical microscopy and transmission electron microscopy (TEM) observations. The former allows us to control and stop the dezincification process at a specific stage of evolution while the latter allows relating surface features with structure and composition changes. Due to dezincification, the formation of an on average 4H hexagonal phase and the fcc equilibrium phase take place. TEM observations show that the bcc to 4H phase transformation occurs by a mechanism of nucleation and growth. In particular, we show evidence of the mechanism of embryo formation for the first time. During the subsequent growth process, the coalescence of transformed zones defines regions in the micron range which after subsequent prolonged dezincification transform to the final fcc equilibrium structure. These experiments provide an insight on the reason for the formation of the non-equilibrium hexagonal phase during the dezincification of electropolished (non-deformed) samples. The new experimental results evidence the heterogeneous character of the dezincification.

  6. Vortex-lattice melting in a one-dimensional optical lattice

    NARCIS (Netherlands)

    Snoek, M.; Stoof, H.T.C.

    2006-01-01

    We investigate quantum fluctuations of a vortex lattice in a one-dimensional optical lattice for realistic numbers of particles and vortices. Our method gives full access to all the modes of the vortex lattice and we discuss in particular the Bloch bands of the Tkachenko modes. Because of the small

  7. Theory of vortex-lattice melting in a one-dimensional optical lattice

    NARCIS (Netherlands)

    Snoek, M.; Stoof, H.T.C.

    2007-01-01

    We investigate quantum and temperature fluctuations of a vortex lattice in a one-dimensional optical lattice. We discuss in particular the Bloch bands of the Tkachenko modes and calculate the correlation function of the vortex positions along the direction of the optical lattice. Because of the smal

  8. Theory of vortex-lattice melting in a one-dimensional optical lattice

    NARCIS (Netherlands)

    Snoek, M.; Stoof, H.T.C.

    2006-01-01

    We investigate quantum and temperature fluctuations of a vortex lattice in a one-dimensional optical lattice. We discuss in particular the Bloch bands of the Tkachenko modes and calculate the correlation function of the vortex positions along the direction of the optical lattice. Because of the smal

  9. Trapping Rydberg Atoms in an Optical Lattice

    Science.gov (United States)

    Anderson, Sarah E.

    2012-06-01

    Optical lattice traps for Rydberg atoms are of interest in advanced science and in practical applications. After a brief discussion of these areas of interest, I will review some basics of optical Rydberg-atom trapping. The trapping potential experienced by a Rydberg atom in an optical lattice is given by the spatial average of the free-electron ponderomotive energy weighted by the Rydberg electron's probability distribution. I will then present experimental results on the trapping of ^85Rb Rydberg atoms in a one-dimensional ponderomotive optical lattice (wavelength 1064 nm). The principal methods employed to study the lattice performance are microwave spectroscopy, which is used to measure the lattice's trapping efficiency, and photo-ionization, which is used to measure the dwell time of the atoms in the lattice. I have achieved a 90% trapping efficiency for ^85Rb 50S atoms by inverting the lattice immediately after laser excitation of ground-state atoms into Rydberg states. I have characterized the dwell time of the atoms in the lattice using photo-ionization of 50D5/2 atoms. In continued work, I have explored the dependence of the Rydberg-atom trapping potential on the angular portion of the atomic wavefunction. Distinct angular states exhibit different trapping behavior in the optical lattice, depending on how their wavefunctions are oriented relative to the lattice planes. Specifically, I have measured the lattice potential depth of sublevels of ^85Rb nD atoms (50behavior varies substantially for the various angular sublevels, in agreement with theory. The talk will conclude with an outlook into planned experiments.

  10. Lattice quantum gravity - an update

    CERN Document Server

    Ambjorn, J; Loll, R

    2010-01-01

    We advocate lattice methods as the tool of choice to constructively define a background-independent theory of Lorentzian quantum gravity and explore its physical properties in the Planckian regime. The formulation that arguably has most furthered our understanding of quantum gravity (and of various pitfalls present in the nonperturbative sector) uses dynamical triangulations to regularize the nonperturbative path integral over geometries. Its Lorentzian version in terms of Causal Dynamical Triangulations (CDT) - in addition to having a definite quantum signature on short scales - has been shown to reproduce important features of the classical theory on large scales. This article recaps the most important developments in CDT of the last few years for the physically relevant case of four spacetime dimensions, and describes its status quo at present.

  11. Entropy of unimodular Lattice Triangulations

    CERN Document Server

    Knauf, Johannes F; Mecke, Klaus

    2014-01-01

    Triangulations are important objects of study in combinatorics, finite element simulations and quantum gravity, where its entropy is crucial for many physical properties. Due to their inherent complex topological structure even the number of possible triangulations is unknown for large systems. We present a novel algorithm for an approximate enumeration which is based on calculations of the density of states using the Wang-Landau flat histogram sampling. For triangulations on two-dimensional integer lattices we achive excellent agreement with known exact numbers of small triangulations as well as an improvement of analytical calculated asymptotics. The entropy density is $C=2.196(3)$ consistent with rigorous upper and lower bounds. The presented numerical scheme can easily be applied to other counting and optimization problems.

  12. Pion structure from lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Javadi Motaghi, Narjes

    2015-05-12

    In this thesis we use lattice QCD to compute the second Mellin moments of pion generalized parton distributions and pion electromagnetic form factors. For our calculations we are able to analyze a large set of gauge configurations with 2 dynamical flavours using non-perturbatively the improved Wilson-Sheikholeslami-Wohlert fermionic action pion masses ranging down to 151 MeV. By employing improved smearing we were able to suppress excited state contamination. However, our data in the physical quark mass limit show that some excited state contamination remains. We show the non-zero sink momentum is optimal for the computation of the electromagnetic form factors and generalized form factors at finite momenta.

  13. Technicolor and Lattice Gauge Theory

    CERN Document Server

    Chivukula, R Sekhar

    2010-01-01

    Technicolor and other theories of dynamical electroweak symmetry breaking invoke chiral symmetry breaking triggered by strong gauge-dynamics, analogous to that found in QCD, to explain the observed W, Z, and fermion masses. In this talk we describe why a realistic theory of dynamical electroweak symmetry breaking must, relative to QCD, produce an enhanced fermion condensate. We quantify the degree to which the technicolor condensate must be enhanced in order to yield the observed quark masses, and still be consistent with phenomenological constraints on flavor-changing neutral-currents. Lattice studies of technicolor and related theories provide the only way to demonstrate that such enhancements are possible and, hopefully, to discover viable candidate models. We comment briefly on the current status of non-perturbative investigations of dynamical electroweak symmetry breaking, and provide a "wish-list" of phenomenologically-relevant properties that are important to calculate in these theories

  14. Monte Carlo lattice program KIM

    International Nuclear Information System (INIS)

    The Monte Carlo program KIM solves the steady-state linear neutron transport equation for a fixed-source problem or, by successive fixed-source runs, for the eigenvalue problem, in a two-dimensional thermal reactor lattice. Fluxes and reaction rates are the main quantities computed by the program, from which power distribution and few-group averaged cross sections are derived. The simulation ranges from 10 MeV to zero and includes anisotropic and inelastic scattering in the fast energy region, the epithermal Doppler broadening of the resonances of some nuclides, and the thermalization phenomenon by taking into account the thermal velocity distribution of some molecules. Besides the well known combinatorial geometry, the program allows complex configurations to be represented by a discrete set of points, an approach greatly improving calculation speed

  15. Gluonic Transversity from Lattice QCD

    CERN Document Server

    Detmold, W

    2016-01-01

    We present an exploratory study of the gluonic structure of the $\\phi$ meson using lattice QCD (LQCD). This includes the first investigation of gluonic transversity via the leading moment of the twist-two double-helicity-flip gluonic structure function $\\Delta(x,Q^2)$. This structure function only exists for targets of spin $J\\ge1$ and does not mix with quark distributions at leading twist, thereby providing a particularly clean probe of gluonic degrees of freedom. We also explore the gluonic analogue of the Soffer bound which relates the helicity flip and non-flip gluonic distributions, finding it to be saturated at the level of 80%. This work sets the stage for more complex LQCD studies of gluonic structure in the nucleon and in light nuclei where $\\Delta(x,Q^2)$ is an 'exotic glue' observable probing gluons in a nucleus not associated with individual nucleons.

  16. Optical Lattices with Micromechanical Mirrors

    CERN Document Server

    Hammerer, K; Genes, C; Zoller, P; Treutlein, P; Camerer, S; Hunger, D; Haensch, T W

    2010-01-01

    We investigate a setup where a cloud of atoms is trapped in an optical lattice potential of a standing wave laser field which is created by retro-reflection on a micro-membrane. The membrane vibrations itself realize a quantum mechanical degree of freedom. We show that the center of mass mode of atoms can be coupled to the vibrational mode of the membrane in free space, and predict a significant sympathetic cooling effect of the membrane when atoms are laser cooled. The controllability of the dissipation rate of the atomic motion gives a considerable advantage over typical optomechanical systems enclosed in optical cavities, in that it allows a segregation between the cooling and coherent dynamics regimes. The membrane can thereby be kept in a cryogenic environment, and the atoms at a distance in a vacuum chamber.

  17. Defect solitons in photonic lattices.

    Science.gov (United States)

    Yang, Jianke; Chen, Zhigang

    2006-02-01

    Nonlinear defect modes (defect solitons) and their stability in one-dimensional photonic lattices with focusing saturable nonlinearity are investigated. It is shown that defect solitons bifurcate out from every infinitesimal linear defect mode. Low-power defect solitons are linearly stable in lower bandgaps but unstable in higher bandgaps. At higher powers, defect solitons become unstable in attractive defects, but can remain stable in repulsive defects. Furthermore, for high-power solitons in attractive defects, we found a type of Vakhitov-Kolokolov (VK) instability which is different from the usual VK instability based on the sign of the slope in the power curve. Lastly, we demonstrate that in each bandgap, in addition to defect solitons which bifurcate from linear defect modes, there is also an infinite family of other defect solitons which can be stable in certain parameter regimes. PMID:16605473

  18. Thermal cascaded lattice Boltzmann method

    CERN Document Server

    Fei, Linlin

    2016-01-01

    In this paper, a thermal cascaded lattice Boltzmann method (TCLBM) is developed in combination with the double-distribution-function (DDF) approach. A density distribution function relaxed by the cascaded scheme is employed to solve the flow field, and a total energy distribution function relaxed by the BGK scheme is used to solve temperature field, where two distribution functions are coupled naturally. The forcing terms are incorporated by means of central moments, which is consistent with the previous force scheme [Premnath \\emph{et al.}, Phys. Rev. E \\textbf{80}, 036702 (2009)] but the derivation is more intelligible and the evolution process is simpler. In the method, the viscous heat dissipation and compression work are taken into account, the Prandtl number and specific-heat ratio are adjustable, the external force is considered directly without the Boussinesq assumption, and the low-Mach number compressible flows can also be simulated. The forcing scheme is tested by simulating a steady Taylor-Green f...

  19. Compact lattice QED with Wilson fermions

    International Nuclear Information System (INIS)

    We study the phase structure and the chiral limit of 4d compact lattice QED with Wilson fermions (both dynamical and quenched). We use the standard Wilson gauge action and also a modified one suppressing lattice artifacts. Different techniques and observables to locate the chiral limit are discussed. (orig.)

  20. Quantum theory and the lattice join

    International Nuclear Information System (INIS)

    An informal explanation is presented of Birkhoff's and von Neumann's proposal according to which it is necessary, due to quantum theory, to replace the well-known lattice of properties, which is a heritage from George Boole, by a new quantum lattice of properties mirroring the structure of the Hilbert space. (Z.S.). 4 figs., 12 refs

  1. Lattice dynamics of ferromagnetic superconductor UGe2

    Indian Academy of Sciences (India)

    Satyam Shinde; Prafulla K Jha

    2008-11-01

    This paper reports the lattice dynamical study of the UGe2 using a lattice dynamical model theory based on pairwise interactions under the framework of the shell model. The calculated phonon dispersion curves and phonon density of states are in good agreement with the measured data.

  2. An Application of Linear Algebra over Lattices

    Directory of Open Access Journals (Sweden)

    M. Hosseinyazdi

    2008-03-01

    Full Text Available In this paper, first we consider L n as a semimodule over a complete bounded distributive lattice L. Then we define the basic concepts of module theory for L n. After that, we proved many similar theorems in linear algebra for the space L n. An application of linear algebra over lattices for solving linear systems, was given

  3. Strongly correlated electrons on frustrated lattices

    Directory of Open Access Journals (Sweden)

    P. Fulde

    2008-06-01

    Full Text Available  We give an overview of recent work on charge degrees of freedom of strongly correlated electrons on geometrically frustrated lattices. Special attention is paid to the checkerboard lattice, i.e., the two-dimensional version of a pyrochlore lattice and to the kagomé lattice. For the checkerboard lattice it is shown that at half filling when spin degrees of freedom are neglected and at quarter filling when they are included excitations with fractional charges ±e/2 may exist. The same holds true for the three-dimensional pyrochlore lattice. In the former case the fractional charges are confined. The origin of the weak, constant confining force is discussed and some similarities to quarks and to string theory are pointed out. For the checkerboard lattice a formulation in terms of a compact U(1 gauge theory is described. Furthermore a new kinetic mechanism for ferromagnetism at special fillings of a kagomé lattice is discussed.

  4. Lattice Platonic Solids and their Ehrhart polynomial

    Directory of Open Access Journals (Sweden)

    E. J. Ionascu

    2013-01-01

    Full Text Available First, we calculate the Ehrhart polynomial associated to an arbitrary cube with integer coordinates for its vertices. Then, we use this result to derive relationships between the Ehrhart polynomials for regular lattice tetrahedra and those for regular lattice octahedra. These relations allow one to reduce the calculation of these polynomials to only one coefficient.

  5. Dark Solitons in FPU Lattice Chain

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Based on multiple scales method, we study the nonlinear properties of a new Fermi-Pasta-Ulam lattice model analytically. It is found that the lattice chain exhibits a novel nonlinear elementary excitation, i.e. a dark soliton.Moreover, the modulation depth of dark soliton is increasing as the anharmonic parameter increases.

  6. Distribution of angles in hyperbolic lattices

    DEFF Research Database (Denmark)

    Risager, Morten Skarsholm; Truelsen, Jimi Lee

    2010-01-01

    We prove an effective equidistribution result about angles in a hyperbolic lattice. We use this to generalize a result from the study by Boca.......We prove an effective equidistribution result about angles in a hyperbolic lattice. We use this to generalize a result from the study by Boca....

  7. Distribution of Angles in Hyperbolic Lattices

    DEFF Research Database (Denmark)

    S. Risager, Morten; L. Truelsen, Jimi

    2008-01-01

    We prove an effective equidistribution result about angles in a hyperbolic lattice. We use this to generalize a result due to F. P. Boca.......We prove an effective equidistribution result about angles in a hyperbolic lattice. We use this to generalize a result due to F. P. Boca....

  8. Honeycomb optical lattices with harmonic confinement

    DEFF Research Database (Denmark)

    Jacobsen, Jens Kusk Block; Nygaard, Nicolai

    2010-01-01

    arguments. In addition, we show that the density of states of the harmonically trapped lattice system can be understood by application of a local density approximation based on the density of states in the homogeneous lattice. The Dirac points are found to survive locally in the trap as evidenced...

  9. Lattice Studies for hadron spectroscopy and interactions

    CERN Document Server

    Aoki, Sinya

    2014-01-01

    Recent progresses of lattice QCD studies for hadron spectroscopy and interactions are briefly reviewed. Some emphasis are given on a new proposal for a method, which enable us to calculate potentials between hadrons. As an example of the method, the extraction of nuclear potential in lattice QCD is discussed in detail.

  10. Lattice Boltzmann scheme for relativistic fluids

    OpenAIRE

    Mendoza, M.; B. Boghosian; Herrmann, H. J.; Succi, S.

    2009-01-01

    A Lattice Boltzmann formulation for relativistic fluids is presented and numerically verified through quantitative comparison with recent hydrodynamic simulations of relativistic shock-wave propagation in viscous quark-gluon plasmas. This formulation opens up the possibility of exporting the main advantages of Lattice Boltzmann methods to the relativistic context, which seems particularly useful for the simulation of relativistic fluids in complicated geometries.

  11. Lattice Platonic Solids and their Ehrhart polynomial

    CERN Document Server

    Ionascu, Eugen J

    2011-01-01

    First, we calculate the Ehrhart polynomial associated to an arbitrary cube with integer coordinates for its vertices. Then, we use this result to derive relationships between the Ehrhart polynomials for regular lattice tetrahedrons and those for regular lattice octahedrons. These relations allow one to reduce the calculation of these polynomials to only one coefficient.

  12. Two-color surface lattice solitons

    OpenAIRE

    Xu, Zhiyong; Kivshar, Yuri S.

    2008-01-01

    We study the properties of surface solitons generated at the edge of a semi-infinite photonic lattice in nonlinear quadratic media, namely two-color surface lattice solitons. We analyze the impact of phase mismatch on existence and stability of surface modes, and find novel classes of two-color twisted surface solitons which are stable in a large domain of their existence.

  13. Beautiful mass predictions from scalar lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Samuel, S.; Moriarty, K.J.M.

    1986-07-31

    Scalar lattice QCD methods are used to accurately predict the masses of hadrons with beauty, that is, states which contain a b quark. These states have not yet been seen in the laboratory. The accuracy of the predictions (approx.=25 MeV) make the calculation a good test of lattice methods as well as providing useful guidance for experimentalists.

  14. Ultracold quantum gases in triangular optical lattices

    International Nuclear Information System (INIS)

    Over recent years, exciting developments in the field of ultracold atoms confined in optical lattices have led to numerous theoretical proposals devoted to the quantum simulation of problems e.g. known from condensed matter physics. Many of those ideas demand experimental environments with non-cubic lattice geometries. In this paper, we report on the implementation of a versatile three-beam lattice allowing for the generation of triangular as well as hexagonal optical lattices. As an important step, the superfluid-Mott insulator (SF-MI) quantum phase transition has been observed and investigated in detail in this lattice geometry for the first time. In addition to this, we study the physics of spinor Bose-Einstein condensates (BEC) in the presence of the triangular optical lattice potential, especially spin changing dynamics across the SF-MI transition. Our results suggest that, below the SF-MI phase transition, a well-established mean-field model describes the observed data when renormalizing the spin-dependent interaction. Interestingly, this opens up new perspectives for a lattice-driven tuning of a spin dynamics resonance occurring through the interplay of the quadratic Zeeman effect and spin-dependent interaction. Finally, we discuss further lattice configurations that can be realized with our setup.

  15. Ultracold quantum gases in triangular optical lattices

    Energy Technology Data Exchange (ETDEWEB)

    Becker, C; Soltan-Panahi, P; Doerscher, S; Sengstock, K [Institut fuer Laserphysik, Universitaet Hamburg, Hamburg D-22761 (Germany); Kronjaeger, J; Bongs, K, E-mail: cbecker@physnet.uni-hamburg.d [MUARC, School of Physics and Astronomy, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom)

    2010-06-15

    Over recent years, exciting developments in the field of ultracold atoms confined in optical lattices have led to numerous theoretical proposals devoted to the quantum simulation of problems e.g. known from condensed matter physics. Many of those ideas demand experimental environments with non-cubic lattice geometries. In this paper, we report on the implementation of a versatile three-beam lattice allowing for the generation of triangular as well as hexagonal optical lattices. As an important step, the superfluid-Mott insulator (SF-MI) quantum phase transition has been observed and investigated in detail in this lattice geometry for the first time. In addition to this, we study the physics of spinor Bose-Einstein condensates (BEC) in the presence of the triangular optical lattice potential, especially spin changing dynamics across the SF-MI transition. Our results suggest that, below the SF-MI phase transition, a well-established mean-field model describes the observed data when renormalizing the spin-dependent interaction. Interestingly, this opens up new perspectives for a lattice-driven tuning of a spin dynamics resonance occurring through the interplay of the quadratic Zeeman effect and spin-dependent interaction. Finally, we discuss further lattice configurations that can be realized with our setup.

  16. The contact polytope of the Leech lattice

    OpenAIRE

    Dutour Sikiric, M.; Schuermann, A.; Vallentin, Frank

    2010-01-01

    The contact polytope of a lattice is the convex hull of its shortest vectors. In this paper we classify the facets of the contact polytope of the Leech lattice up to symmetry. There are 1, 197, 362, 269, 604, 214, 277, 200 many facets in 232 orbits.

  17. Parrondo games as lattice gas automata

    OpenAIRE

    Meyer, David A.; Blumer, Heather

    2001-01-01

    Parrondo games are coin flipping games with the surprising property that alternating plays of two losing games can produce a winning game. We show that this phenomenon can be modelled by probabilistic lattice gas automata. Furthermore, motivated by the recent introduction of quantum coin flipping games, we show that quantum lattice gas automata provide an interesting definition for quantum Parrondo games.

  18. Different lattice geometries with synthetic dimension

    OpenAIRE

    Suszalski, Dominik; Zakrzewski, Jakub

    2016-01-01

    The possibility of creating different geometries with the help of an extra synthetic dimension in optical lattices is studied. Additional linear potential and Raman assisted tunnelings are used to engineer well controlled tunnelings between available states. The great flexibility of the system allows us to obtain different geometries of synthetic lattices with possibility of adding synthetic gauge fields.

  19. Phase transition from fcc to bcc structure of the Cu-clusters during nanocrystallization of Fe85.2Si1B9P4Cu0.8 soft magnetic alloy

    OpenAIRE

    Masahiko Nishijima; Makoto Matsuura; Kana Takenaka; Akira Takeuchi; Hironori Ofuchi; Akihiro Makino

    2014-01-01

    A role of Cu on the nanocrystallization of an Fe85.2Si1B9P4Cu0.8 alloy was investigated by X-ray absorption fine structure (XAFS) and transmission electron microscopy (TEM). The Cu K-edge XAFS results show that local structure around Cu is disordered for the as-quenched sample whereas it changes to fcc-like structure at 613 K. The fcc Cu-clusters are, however, thermodynamically unstable and begin to transform into bcc structure at 638 K. An explicit bcc structure is observed for the sample an...

  20. Effective Field Theories and Lattice QCD

    CERN Document Server

    Bernard, C

    2015-01-01

    I describe some of the many connections between lattice QCD and effective field theories, focusing in particular on chiral effective theory, and, to a lesser extent, Symanzik effective theory. I first discuss the ways in which effective theories have enabled and supported lattice QCD calculations. Particular attention is paid to the inclusion of discretization errors, for a variety of lattice QCD actions, into chiral effective theory. Several other examples of the usefulness of chiral perturbation theory, including the encoding of partial quenching and of twisted boundary conditions, are also described. In the second part of the talk, I turn to results from lattice QCD for the low energy constants of the two- and three-flavor chiral theories. I concentrate here on mesonic quantities, but the dependence of the nucleon mass on the pion mass is also discussed. Finally I describe some recent preliminary lattice QCD calculations by the MILC Collaboration relating to the three-flavor chiral limit.

  1. Supersymmetry on a space-time lattice

    Energy Technology Data Exchange (ETDEWEB)

    Kaestner, Tobias

    2008-10-28

    In this thesis the WZ model in one and two dimensions has been thoroughly investigated. With the help of the Nicolai map it was possible to construct supersymmetrically improved lattice actions that preserve one of several supersymmetries. For the WZ model in one dimension SLAC fermions were utilized for the first time leading to a near-perfect elimination of lattice artifacts. In addition the lattice superpotential does not get modified which in two dimensions becomes important when further (discrete) symmetries of the continuum action are considered. For Wilson fermions two new improvements have been suggested and were shown to yield far better results than standard Wilson fermions concerning lattice artifacts. In the one-dimensional theory Ward Identities were studied.However, supersymmetry violations due to broken supersymmetry could only be detected at coarse lattices and very strong couplings. For the two-dimensional models a detailed analysis of supersymmetric improvement terms was given, both for Wilson and SLAC fermions. (orig.)

  2. A classification of 2-dim Lattice Theory

    CERN Document Server

    Kieburg, Mario; Zafeiropoulos, Savvas

    2013-01-01

    A unified classification and analysis is presented of two dimensional Dirac operators of QCD-like theories in the continuum as well as in a naive lattice discretization. Thereby we consider the quenched theory in the strong coupling limit. We do not only consider the case of a lattice which has an even number of lattice sites in both directions and is thus equivalent to the case of staggered fermions. We also study lattices with one or both directions with an odd parity to understand the general mechanism of changing the universality class via a discretization. Furthermore we identify the corresponding random matrix ensembles sharing the global symmetries of these QCD-like theories. Despite the Mermin-Wagner-Coleman theorem we find good agreement of lattice data with our random matrix predictions.

  3. Ising antiferromagnet on the Archimedean lattices

    Science.gov (United States)

    Yu, Unjong

    2015-06-01

    Geometric frustration effects were studied systematically with the Ising antiferromagnet on the 11 Archimedean lattices using the Monte Carlo methods. The Wang-Landau algorithm for static properties (specific heat and residual entropy) and the Metropolis algorithm for a freezing order parameter were adopted. The exact residual entropy was also found. Based on the degree of frustration and dynamic properties, ground states of them were determined. The Shastry-Sutherland lattice and the trellis lattice are weakly frustrated and have two- and one-dimensional long-range-ordered ground states, respectively. The bounce, maple-leaf, and star lattices have the spin ice phase. The spin liquid phase appears in the triangular and kagome lattices.

  4. Supersymmetry on a space-time lattice

    International Nuclear Information System (INIS)

    In this thesis the WZ model in one and two dimensions has been thoroughly investigated. With the help of the Nicolai map it was possible to construct supersymmetrically improved lattice actions that preserve one of several supersymmetries. For the WZ model in one dimension SLAC fermions were utilized for the first time leading to a near-perfect elimination of lattice artifacts. In addition the lattice superpotential does not get modified which in two dimensions becomes important when further (discrete) symmetries of the continuum action are considered. For Wilson fermions two new improvements have been suggested and were shown to yield far better results than standard Wilson fermions concerning lattice artifacts. In the one-dimensional theory Ward Identities were studied.However, supersymmetry violations due to broken supersymmetry could only be detected at coarse lattices and very strong couplings. For the two-dimensional models a detailed analysis of supersymmetric improvement terms was given, both for Wilson and SLAC fermions. (orig.)

  5. Lattice kinetic simulation of nonisothermal magnetohydrodynamics.

    Science.gov (United States)

    Chatterjee, Dipankar; Amiroudine, Sakir

    2010-06-01

    In this paper, a lattice kinetic algorithm is presented to simulate nonisothermal magnetohydrodynamics in the low-Mach number incompressible limit. The flow and thermal fields are described by two separate distribution functions through respective scalar kinetic equations and the magnetic field is governed by a vector distribution function through a vector kinetic equation. The distribution functions are only coupled via the macroscopic density, momentum, magnetic field, and temperature computed at the lattice points. The novelty of the work is the computation of the thermal field in conjunction with the hydromagnetic fields in the lattice Boltzmann framework. A 9-bit two-dimensional (2D) lattice scheme is used for the numerical computation of the hydrodynamic and thermal fields, whereas the magnetic field is simulated in a 5-bit 2D lattice. Simulation of Hartmann flow in a channel provides excellent agreement with corresponding analytical results. PMID:20866540

  6. Competing mechanisms for ordering tendencies in BCC CuAuZn{sub 2} and FCC AuFe alloys

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, D.D.; Althoff, J.D. [Sandia National Labs., Livermore, CA (United States); Staunton, J.B.; Ling, M.F. [Warwick Univ., Coventry (United Kingdom). Dept. of Physics; Pinski, F.J. [Cincinnati Univ, OH (United States). Dept. of Physics

    1995-07-01

    We have briefly discussed the ASRO (atomic short-range order) in AuFe and CuAuZn{sub 2}. General points are that (1) we have implemented a first-principles theory of ASRO in N-component alloys which allows determination of the electronic origins of said ASRO; (2) such calculations can provide much information on the high- and (sometimes) low-temperature alloys; and (3) this approach has identified the origin for the novel special-point ASRO in AuFe. Displacement effects, i.e., non-rigid lattice effects, as well as the other contributions beyond band-energy, are being incorporated into the multicomponent alloy calculations. Such improvements will allow us to investigate other alloys, where charge effects may play a role, to ``design`, for example, higher temperature intermetallics through alloying.

  7. On the Product and Factorization of Lattice Implication Algebras

    Institute of Scientific and Technical Information of China (English)

    秦克云; 宋振明; 等

    1993-01-01

    In this paper,the concepts of product and factorization of lattice implication algebra are proposed,the relation between lattice implication product algebra and its factors and some properties of lattice implication product algebras are discussed.

  8. Ground-state ordering of the J1-J2 model on the simple cubic and body-centered cubic lattices

    Science.gov (United States)

    Farnell, D. J. J.; Götze, O.; Richter, J.

    2016-06-01

    The J1-J2 Heisenberg model is a "canonical" model in the field of quantum magnetism in order to study the interplay between frustration and quantum fluctuations as well as quantum phase transitions driven by frustration. Here we apply the coupled cluster method (CCM) to study the spin-half J1-J2 model with antiferromagnetic nearest-neighbor bonds J1>0 and next-nearest-neighbor bonds J2>0 for the simple cubic (sc) and body-centered cubic (bcc) lattices. In particular, we wish to study the ground-state ordering of these systems as a function of the frustration parameter p =z2J2/z1J1 , where z1 (z2) is the number of nearest (next-nearest) neighbors. We wish to determine the positions of the phase transitions using the CCM and we aim to resolve the nature of the phase transition points. We consider the ground-state energy, order parameters, spin-spin correlation functions, as well as the spin stiffness in order to determine the ground-state phase diagrams of these models. We find a direct first-order phase transition at a value of p =0.528 from a state of nearest-neighbor Néel order to next-nearest-neighbor Néel order for the bcc lattice. For the sc lattice the situation is more subtle. CCM results for the energy, the order parameter, the spin-spin correlation functions, and the spin stiffness indicate that there is no direct first-order transition between ground-state phases with magnetic long-range order, rather it is more likely that two phases with antiferromagnetic long range are separated by a narrow region of a spin-liquid-like quantum phase around p =0.55 . Thus the strong frustration present in the J1-J2 Heisenberg model on the sc lattice may open a window for an unconventional quantum ground state in this three-dimensional spin model.

  9. On Decompositions of Matrices over Distributive Lattices

    Directory of Open Access Journals (Sweden)

    Yizhi Chen

    2014-01-01

    Full Text Available Let L be a distributive lattice and Mn,q (L(Mn(L, resp. the semigroup (semiring, resp. of n × q (n × n, resp. matrices over L. In this paper, we show that if there is a subdirect embedding from distributive lattice L to the direct product ∏i=1m‍Li of distributive lattices L1,L2, …,Lm, then there will be a corresponding subdirect embedding from the matrix semigroup Mn,q(L (semiring Mn(L, resp. to semigroup ∏i=1m‍Mn,q(Li (semiring ∏i=1m‍Mn(Li, resp.. Further, it is proved that a matrix over a distributive lattice can be decomposed into the sum of matrices over some of its special subchains. This generalizes and extends the decomposition theorems of matrices over finite distributive lattices, chain semirings, fuzzy semirings, and so forth. Finally, as some applications, we present a method to calculate the indices and periods of the matrices over a distributive lattice and characterize the structures of idempotent and nilpotent matrices over it. We translate the characterizations of idempotent and nilpotent matrices over a distributive lattice into the corresponding ones of the binary Boolean cases, which also generalize the corresponding structures of idempotent and nilpotent matrices over general Boolean algebras, chain semirings, fuzzy semirings, and so forth.

  10. List Decoding Barnes-Wall Lattices

    CERN Document Server

    Grigorescu, Elena

    2011-01-01

    The question of list decoding error-correcting codes over finite fields (under the Hamming metric) has been widely studied in recent years. Motivated by the similar discrete structure of linear codes and point lattices in R^N, and their many shared applications across complexity theory, cryptography, and coding theory, we initiate the study of list decoding for lattices. Namely: for a lattice L in R^N, given a target vector r in R^N and a distance parameter d, output the set of all lattice points w in L that are within distance d of r. In this work we focus on combinatorial and algorithmic questions related to list decoding for the well-studied family of Barnes-Wall lattices. Our main contributions are twofold: 1) We give tight (up to polynomials) combinatorial bounds on the worst-case list size, showing it to be polynomial in the lattice dimension for any error radius bounded away from the lattice's minimum distance (in the Euclidean norm). 2) Building on the unique decoding algorithm of Micciancio and Nicol...

  11. Dynamic Behavior of Engineered Lattice Materials.

    Science.gov (United States)

    Hawreliak, J A; Lind, J; Maddox, B; Barham, M; Messner, M; Barton, N; Jensen, B J; Kumar, M

    2016-01-01

    Additive manufacturing (AM) is enabling the fabrication of materials with engineered lattice structures at the micron scale. These mesoscopic structures fall between the length scale associated with the organization of atoms and the scale at which macroscopic structures are constructed. Dynamic compression experiments were performed to study the emergence of behavior owing to the lattice periodicity in AM materials on length scales that approach a single unit cell. For the lattice structures, both bend and stretch dominated, elastic deflection of the structure was observed ahead of the compaction of the lattice, while no elastic deformation was observed to precede the compaction in a stochastic, random structure. The material showed lattice characteristics in the elastic response of the material, while the compaction was consistent with a model for compression of porous media. The experimental observations made on arrays of 4 × 4 × 6 lattice unit cells show excellent agreement with elastic wave velocity calculations for an infinite periodic lattice, as determined by Bloch wave analysis, and finite element simulations. PMID:27321697

  12. Dynamic Behavior of Engineered Lattice Materials

    Science.gov (United States)

    Hawreliak, J. A.; Lind, J.; Maddox, B.; Barham, M.; Messner, M.; Barton, N.; Jensen, B. J.; Kumar, M.

    2016-06-01

    Additive manufacturing (AM) is enabling the fabrication of materials with engineered lattice structures at the micron scale. These mesoscopic structures fall between the length scale associated with the organization of atoms and the scale at which macroscopic structures are constructed. Dynamic compression experiments were performed to study the emergence of behavior owing to the lattice periodicity in AM materials on length scales that approach a single unit cell. For the lattice structures, both bend and stretch dominated, elastic deflection of the structure was observed ahead of the compaction of the lattice, while no elastic deformation was observed to precede the compaction in a stochastic, random structure. The material showed lattice characteristics in the elastic response of the material, while the compaction was consistent with a model for compression of porous media. The experimental observations made on arrays of 4 × 4 × 6 lattice unit cells show excellent agreement with elastic wave velocity calculations for an infinite periodic lattice, as determined by Bloch wave analysis, and finite element simulations.

  13. Delaunay polytopes derived from the Leech lattice

    CERN Document Server

    Sikiric, Mathieu Dutour

    2009-01-01

    Given a lattice L of R^n, a polytope D is called a Delaunay polytope in L if the set of its vertices is S\\cap L where S is a sphere having no lattice points in its interior. D is called perfect if the only ellipsoid in R^n that contains S\\cap L is exactly S. For a vector v of the Leech lattice \\Lambda_{24} we define \\Lambda_{24}(v) to be the lattice of vectors of \\Lambda_{24} orthogonal to v. We studied Delaunay polytopes of L=\\Lambda_{24}(v) for |v|^2<=22. We found some remarkable examples of Delaunay polytopes in such lattices and disproved a number of long standing conjectures. In particular, we discovered: --Perfect Delaunay polytopes of lattice width 4; previously, the largest known width was 2. --Perfect Delaunay polytopes in L, which can be extended to perfect Delaunay polytopes in superlattices of L of the same dimension. --Polytopes that are perfect Delaunay with respect to two lattices $L\\subset L'$ of the same dimension. --Perfect Delaunay polytopes D for L with |Aut L|=6|Aut D|: all previously ...

  14. Infinitesimal diffeomorfisms on the lattice

    CERN Document Server

    CERN. Geneva

    2015-01-01

    The energy-momentum tensor and local translation Ward identities constitute the essential toolkit to probe the response of a QFT to an infinitesimal change of geometry. This is relevant in a number of contexts. For instance in order to get the thermodynamical equation of state, one wants to study the response of a Euclidean QFT in a finite box to a change in the size of the box. The lattice formulation of QFTs is a prime tool to study their dynamics beyond perturbation theory. However Poincaré invariance is explicitly broken, and is supposed to be recovered only in the continuum limit. Approximate local Ward identities for translations can be defined, by they require some care for two reasons: 1) the energy-momentum tensor needs to be properly defined through a renormalization procedure; 2) the action of infinitesimal local translations (i.e. infinitesimal diffeomorfisms) is ill-defined on local observables. In this talk I will review the issues related to the renormalization of the energy-momentum tensor ...

  15. Nuclear reactions from lattice QCD

    Science.gov (United States)

    Briceño, Raúl A.; Davoudi, Zohreh; Luu, Thomas C.

    2015-02-01

    One of the overarching goals of nuclear physics is to rigorously compute properties of hadronic systems directly from the fundamental theory of strong interactions, quantum chromodynamics (QCD). In particular, the hope is to perform reliable calculations of nuclear reactions which will impact our understanding of environments that occur during big bang nucleosynthesis, the evolution of stars and supernovae, and within nuclear reactors and high energy/density facilities. Such calculations, being truly ab initio, would include all two-nucleon and three-nucleon (and higher) interactions in a consistent manner. Currently, lattice quantum chromodynamics (LQCD) provides the only reliable option for performing calculations of some of the low-energy hadronic observables. With the aim of bridging the gap between LQCD and nuclear many-body physics, the Institute for Nuclear Theory held a workshop on Nuclear Reactions from LQCD on March 2013. In this review article, we report on the topics discussed in this workshop and the path planned to move forward in the upcoming years.

  16. 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...... 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...... 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...

  17. XXIVth International Symposium on Lattice Field Theory

    Science.gov (United States)

    2006-12-01

    Lattice 2006, the XXIV International Symposium on Lattice Field Theory, was held from July 23-28, 2006 at the Starr Pass Hotel near Tucson, Arizona, USA, hosted by the University of Arizona Physics Department. The scientific program contained 25 plenary session talks and 193 parallel session contributions (talks and posters). Topics in lattice QCD included: hadron spectroscopy; hadronic interactions and structure; algorithms, machines, and networks; chiral symmetry; QCD confinement and topology; quark masses, gauge couplings, and renormalization; electroweak decays and mixing; high temperature and density; and theoretical developments. Topics beyond QCD included large Nc, Higgs, SUSY, gravity, and strings.

  18. QCD Thermodynamics with an Improved Lattice Action

    CERN Document Server

    Bernard, C W; DeGrand, T A; Wingate, M; DeTar, C E; Gottlieb, S; Heller, U M; Rummukainen, K; Toussaint, D; Sugar, R L; Bernard, Claude; Hetrick, James E.; Grand, Thomas De; Wingate, Matthew; Tar, Carleton De; Gottlieb, Steven; Heller, Urs M.; Rummukainen, Kari; Toussaint, Doug; Sugar, Robert L.

    1997-01-01

    We have investigated QCD with two flavors of degenerate fermions using a Symanzik-improved lattice action for both the gauge and fermion actions. Our study focuses on the deconfinement transition on an $N_t=4$ lattice. Having located the thermal transition, we performed zero temperature simulations nearby in order to compute hadronic masses and the static quark potential. We find that the present action reduces lattice artifacts present in thermodynamics with the standard Wilson (gauge and fermion) actions. However, it does not bring studies with Wilson-type quarks to the same level as those using the Kogut--Susskind formulation.

  19. Multiphase lattice Boltzmann methods theory and application

    CERN Document Server

    Huang, Haibo; Lu, Xiyun

    2015-01-01

    Theory and Application of Multiphase Lattice Boltzmann Methods presents a comprehensive review of all popular multiphase Lattice Boltzmann Methods developed thus far and is aimed at researchers and practitioners within relevant Earth Science disciplines as well as Petroleum, Chemical, Mechanical and Geological Engineering. Clearly structured throughout, this book will be an invaluable reference  on the current state of all popular multiphase Lattice Boltzmann Methods (LBMs). The advantages and disadvantages of each model are presented in an accessible manner to enable the reader to choose the

  20. Low temperature limit of lattice QCD

    CERN Document Server

    Nagata, K; Motoki, S

    2012-01-01

    We study the low temperature limit of lattice QCD by using a reduction formula for a fermion determinant. The reduction formula, which is useful in finite density lattice QCD simulations, contains a reduced matrix defined as the product of $N_t$ block-matrices. It is shown that eigenvalues of the reduced matrix follows a scaling law with regard to the temporal lattice size $N_t$. The $N_t$ scaling law leads to two types of expressions of the fermion determinant in the low temperature limit; one is for small quark chemical potentials, and the other is for larger quark chemical potentials.

  1. Density redistribution effects in fermionic optical lattices

    CERN Document Server

    Soni, Medha; Troyer, Matthias

    2016-01-01

    We simulate a one dimensional fermionic optical lattice to analyse heating due to non-adiabatic lattice loading. Our simulations reveal that, similar to the bosonic case, density redistribution effects are the major cause of heating in harmonic traps. We suggest protocols to modulate the local density distribution during the process of lattice loading, in order to reduce the excess energy. Our numerical results confirm that linear interpolation of the trapping potential and/or the interaction strength is an efficient method of doing so, bearing practical applications relevant to experiments.

  2. Lattice distortion in disordered antiferromagnetic XY models

    Institute of Scientific and Technical Information of China (English)

    Li Peng-Fei; Cao Hai-Jing

    2012-01-01

    The behavior of lattice distortion in spin 1/2 antiferromagnetic XY models with random magnetic modulation is investigated with the consideration of spin-phonon coupling in the adiabatic limit.It is found that lattice distortion relies on the strength of the random modulation.For strong or weak enough spin-phonon couplings,the average lattice distortion may decrease or increase as the random modulation is strengthened.This may be the result of competition between the random magnetic modulation and the spin-phonon coupling.

  3. Performance comparisons of low emittance lattices

    International Nuclear Information System (INIS)

    In this paper, the results of a performance analysis of several low emittance electron storage ring lattices provided by various members of the Lattice Working Group are presented. Altogether, four lattices were investigated. There are two different functions being considered for the low beam emittance rings discussed here. The first is to serve as a Damping Ring (DR), i.e., to provide the emittance damping required for a high energy linear collider. The second is to provide beams for a short wavelength Free Electron Laser (FEL), which is envisioned to operate in the wavelength region near 40 A

  4. A Lattice Study of the Glueball Spectrum

    Institute of Scientific and Technical Information of China (English)

    LIU Chuan

    2001-01-01

    Glueball spectrum is studied using an improved gluonic action on asymmetric lattices in the pure SU(3)gauge theory. The smallest spatial lattice spacing is about 0.08 fm which makes the extrapolation to the continuum limit more reliable. In particular, attention is paid to the scalar glueball mass which is known to have problems in the extrapolation. Converting our lattice results to physical units using the scale set by the static quark potential,we obtain the following results for the glueball masses: MG(0++) = 1730(90) MeV for the scalar glueball mass and MG(2++) = 2400(95) MeV for the tensor glueball.

  5. Dynamical Regge calculus as lattice gravity

    Science.gov (United States)

    Hagura, Hiroyuki

    2001-03-01

    We propose a hybrid approach to lattice quantum gravity by combining simultaneously the dynamical triangulation with the Regge calculus, called the dynamical Regge calculus (DRC). In this approach lattice diffeomorphism is realized as an exact symmetry by some hybrid ( k, l) moves on the simplicial lattice. Numerical study of 3D pure gravity shows that an entropy of the DRC is not exponetially bounded if we adopt the uniform measure Π idli. On the other hand, using the scale-invariant measure Π idli/ li, we can calculate observables and observe a large hysteresis between two phases that indicates the first-order nature of the phase transition.

  6. Reactive Orthotropic Lattice Diffuser for Noise Reduction

    Science.gov (United States)

    Khorrami, Mehdi R. (Inventor)

    2016-01-01

    An orthotropic lattice structure interconnects porous surfaces of the flap with internal lattice-structured perforations to equalize the steady pressure field on the flap surfaces adjacent to the end and to reduce the amplitude of the fluctuations in the flow field near the flap end. The global communication that exists within all of the perforations provides the mechanism to lessen the pressure gradients experienced by the end portion of the flap. In addition to having diffusive effects (diffusing the incoming flow), the three-dimensional orthogonal lattice structure is also reactive (acoustic wave phase distortion) due to the interconnection of the perforations.

  7. New Lattice Results for Parton Distributions

    CERN Document Server

    Alexandrou, Constantia; Constantinou, Martha; Hadjiyiannakou, Kyriakos; Jansen, Karl; Steffens, Fernanda; Wiese, Christian

    2016-01-01

    We provide a high statistics analysis of the $x$-dependence of the bare unpolarized, helicity and transversity iso-vector parton distribution functions (PDFs) from lattice calculations employing (maximally) twisted mass fermions. The $x$-dependence of the calculated PDFs resembles those of the phenomenological parameterizations, a feature that makes this approach promising despite the lack of a full renormalization program for them. Furthermore, we apply momentum smearing for the relevant matrix elements to compute the lattice PDFs and find a large improvement factor when compared to conventional Gaussian smearing. This allows us to extend the lattice computation of the distributions to higher values of the nucleon momentum.

  8. Measures on coallocation and normal lattices

    Directory of Open Access Journals (Sweden)

    Jack-Kang Chan

    1992-01-01

    Full Text Available Let ℒ1 and ℒ2 be lattices of subsets of a nonempty set X. Suppose ℒ2 coallocates ℒ1 and ℒ1 is a subset of ℒ2. We show that any ℒ1-regular finitely additive measure on the algebra generated by ℒ1 can be uniquely extended to an ℒ2-regular measure on the algebra generated by ℒ2. The case when ℒ1 is not necessary contained in ℒ2, as well as the measure enlargement problem are considered. Furthermore, some discussions on normal lattices and separation of lattices are also given.

  9. AN EQUIVALENT CONTINUUM METHOD OF LATTICE STRUCTURES

    Institute of Scientific and Technical Information of China (English)

    Fan Hualin; Yang Wei

    2006-01-01

    An equivalent continuum method is developed to analyze the effective stiffness of three-dimensional stretching dominated lattice materials. The strength and three-dimensional plastic yield surfaces are calculated for the equivalent continuum. A yielding model is formulated and compared with the results of other models. The bedding-in effect is considered to include the compliance of the lattice joints. The predicted stiffness and strength are in good agreement with the experimental data, validating the present model in the prediction of the mechanical properties of stretching dominated lattice structures.

  10. Construction of Capacity Achieving Lattice Gaussian Codes

    KAUST Repository

    Alghamdi, Wael

    2016-04-01

    We propose a new approach to proving results regarding channel coding schemes based on construction-A lattices for the Additive White Gaussian Noise (AWGN) channel that yields new characterizations of the code construction parameters, i.e., the primes and dimensions of the codes, as functions of the block-length. The approach we take introduces an averaging argument that explicitly involves the considered parameters. This averaging argument is applied to a generalized Loeliger ensemble [1] to provide a more practical proof of the existence of AWGN-good lattices, and to characterize suitable parameters for the lattice Gaussian coding scheme proposed by Ling and Belfiore [3].

  11. Dynamical Regge calculus as lattice gravity

    International Nuclear Information System (INIS)

    We propose a hybrid approach to lattice quantum gravity by combining simultaneously the dynamical triangulation with the Regge calculus, called the dynamical Regge calculus (DRC). In this approach lattice diffeomorphism is realized as an exact symmetry by some hybrid (k, l) moves on the simplicial lattice. Numerical study of 3D pure gravity shows that an entropy of the DRC is not exponetially bounded if we adopt the uniform measure Πidli. On the other hand, using the scale-invariant measure Πidli/li, we can calculate observables and observe a large hysteresis between two phases that indicates the first-order nature of the phase transition

  12. Effective Medium Theory of Filamentous Triangular Lattice

    OpenAIRE

    Mao, Xiaoming; Stenull, Olaf; Lubensky, T. C.

    2011-01-01

    We present an effective medium theory that includes bending as well as stretching forces, and we use it to calculate mechanical response of a diluted filamentous triangular lattice. In this lattice, bonds are central-force springs, and there are bending forces between neighboring bonds on the same filament. We investigate the diluted lattice in which each bond is present with a probability $p$. We find a rigidity threshold $p_b$ which has the same value for all positive bending rigidity and a...

  13. Meson-Meson Scattering on Anisotropic Lattices

    Institute of Scientific and Technical Information of China (English)

    DU Xi-Ning; MIAO Chuan; MENG Guang-Wei; LIU Chuan

    2005-01-01

    Using the tadpole improved Wilson quark action on small, coarse, and anisotropic lattices, meson-meson scattering lengths are calculated within quenched approximation. The study covers pion-pion scattering in the I = 2 channel and kaon-pion scattering in the I = 3/2 channel. The results are extrapolated towards the chiral limit. Finite volume and finite lattice spacing errors are also analyzed and results in the infinite volume and continuum limit are obtained. Our results are compared with the results obtained using Roy equations, chiral perturbation theory, dispersion relations, and the experimental data. We also compare our results with other lattice results on the scattering lengths.

  14. Electronic properties of graphene antidot lattices

    DEFF Research Database (Denmark)

    Fürst, Joachim Alexander; Pedersen, Jesper Goor; Flindt, C.;

    2009-01-01

    Graphene antidot lattices constitute a novel class of nano-engineered graphene devices with controllable electronic and optical properties. An antidot lattice consists of a periodic array of holes that causes a band gap to open up around the Fermi level, turning graphene from a semimetal...... into a semiconductor. We calculate the electronic band structure of graphene antidot lattices using three numerical approaches with different levels of computational complexity, efficiency and accuracy. Fast finite-element solutions of the Dirac equation capture qualitative features of the band structure, while full...

  15. Rank 72 high minimum norm lattices

    CERN Document Server

    Griess, Robert L

    2009-01-01

    Given a polarization of an even unimodular lattice and integer $k\\ge 1$, we define a family of unimodular lattices $L(M,N,k)$. Of special interest are certain $L(M,N,3)$ of rank 72. Their minimum norms lie in $\\{4, 6, 8\\}$. Norms 4 and 6 do occur. Consequently, 6 becomes the highest known minimum norm for rank 72 even unimodular lattices. We discuss how norm 8 might occur for such a $L(M,N,3)$. We note a few $L(M,N,k)$ in dimensions 96, 120 and 128 with moderately high minimum norms.

  16. Observation of the two-dimensional reciprocal lattice by use of lattice grating sheets and a laser pointer

    International Nuclear Information System (INIS)

    Demonstration of the diffraction patterns from the two-dimensional Bravais lattice has been studied by use of the two single line lattice grating sheets and a laser pointer. A variable two-dimensional lattice grating was prepared using two grating sheets which are closely attached to each other. The five types of two-dimensional Bravais lattices can be produced by adjusting the relative angle between two single line lattices. The light diffraction patterns from the two-dimensional Bravais lattices indicate the reciprocal lattices of these basic two-dimensional lattice structures. (paper)

  17. Observation of the two-dimensional reciprocal lattice by use of lattice grating sheets and a laser pointer

    Science.gov (United States)

    Tsutaoka, Takanori; Tokunaga, Tomohito; Umeda, Takashi; Maehara, Toshinobu

    2014-09-01

    Demonstration of the diffraction patterns from the two-dimensional Bravais lattice has been studied by use of the two single line lattice grating sheets and a laser pointer. A variable two-dimensional lattice grating was prepared using two grating sheets which are closely attached to each other. The five types of two-dimensional Bravais lattices can be produced by adjusting the relative angle between two single line lattices. The light diffraction patterns from the two-dimensional Bravais lattices indicate the reciprocal lattices of these basic two-dimensional lattice structures.

  18. Ultracold Quantum Gases and Lattice Systems: Quantum Simulation of Lattice Gauge Theories

    CERN Document Server

    Wiese, U -J

    2013-01-01

    Abelian and non-Abelian gauge theories are of central importance in many areas of physics. In condensed matter physics, Abelian U(1) lattice gauge theories arise in the description of certain quantum spin liquids. In quantum information theory, Kitaev's toric code is a Z(2) lattice gauge theory. In particle physics, Quantum Chromodynamics (QCD), the non-Abelian SU(3) gauge theory of the strong interactions between quarks and gluons, is non-perturbatively regularized on a lattice. Quantum link models extend the concept of lattice gauge theories beyond the Wilson formulation, and are well suited for both digital and analog quantum simulation using ultracold atomic gases in optical lattices. Since quantum simulators do not suffer from the notorious sign problem, they open the door to studies of the real-time evolution of strongly coupled quantum systems, which are impossible with classical simulation methods. A plethora of interesting lattice gauge theories suggests itself for quantum simulation, which should al...

  19. Analysis of quantum spin models on hyperbolic lattices and Bethe lattice

    Science.gov (United States)

    Daniška, Michal; Gendiar, Andrej

    2016-04-01

    The quantum XY, Heisenberg, and transverse field Ising models on hyperbolic lattices are studied by means of the tensor product variational formulation algorithm. The lattices are constructed by tessellation of congruent polygons with coordination number equal to four. The calculated ground-state energies of the XY and Heisenberg models and the phase transition magnetic field of the Ising model on the series of lattices are used to estimate the corresponding quantities of the respective models on the Bethe lattice. The hyperbolic lattice geometry induces mean-field-like behavior of the models. The ambition to obtain results on the non-Euclidean lattice geometries has been motivated by theoretical studies of the anti-de Sitter/conformal field theory correspondence.

  20. Dynamical Gauge Fields on Optical Lattices: A Lattice Gauge Theorist Point of View

    CERN Document Server

    Meurice, Yannick

    2011-01-01

    Dynamical gauge fields are essential to capture the short and large distance behavior of gauge theories (confinement, mass gap, chiral symmetry breaking, asymptotic freedom). I propose two possible strategies to use optical lattices to mimic simulations performed in lattice gauge theory. I discuss how new developments in optical lattices could be used to generate local invariance and link composite operators with adjoint quantum numbers that could play a role similar to the link variables used in lattice gauge theory. This is a slightly expanded version of a poster presented at the KITP Conference: Frontiers of Ultracold Atoms and Molecules (Oct 11-15, 2010) that I plan to turn into a more comprehensive tutorial that could be used by members of the optical lattice and lattice gauge theory communities. Suggestions are welcome.

  1. Breatherlike impurity modes in discrete nonlinear lattices

    DEFF Research Database (Denmark)

    Hennig, D.; Rasmussen, Kim; Tsironis, G. P.;

    1995-01-01

    We investigate the properties of a disordered generalized discrete nonlinear Schrodinger equation, containing both diagonal and nondiagonal nonlinear terms. The equation models a Linear host lattice doped with nonlinear impurities. We find different types of impurity states that form itinerant...

  2. Semiconductor Laser with Aperiodic Photonic Lattice

    OpenAIRE

    Subhasish Chakraborty

    2008-01-01

    A semiconductor laser and method for selecting laser frequency emission from the semiconductor laser are disclosed. The semiconductor laser provides selectable frequency emission and includes an aperiodic photonic lattice.

  3. Generalized parton distributions from lattice QCD

    International Nuclear Information System (INIS)

    We perform a quenched lattice calculation of the first moment of twist-two generalized parton distribution functions of the proton, and assess the total quark (spin and orbital angular momentum) contribution to the spin of the proton

  4. Generalized parton distributions from lattice QCD

    International Nuclear Information System (INIS)

    We perform a quenched lattice calculation of the first moment of twist-two generalized parton distribution functions of the proton, and assess the total quark (spin and orbital angular momentum) contribution to the spin of the proton. (orig.)

  5. Optical vortex array in spatially varying lattice

    CERN Document Server

    Kapoor, Amit; Senthilkumaran, P; Joseph, Joby

    2015-01-01

    We present an experimental method based on a modified multiple beam interference approach to generate an optical vortex array arranged in a spatially varying lattice. This method involves two steps which are: numerical synthesis of a consistent phase mask by using two-dimensional integrated phase gradient calculations and experimental implementation of produced phase mask by utilizing a phase only spatial light modulator in an optical 4f Fourier filtering setup. This method enables an independent variation of the orientation and period of the vortex lattice. As working examples, we provide the experimental demonstration of various spatially variant optical vortex lattices. We further confirm the existence of optical vortices by formation of fork fringes. Such lattices may find applications in size dependent trapping, sorting, manipulation and photonic crystals.

  6. Ballistic Transport in Graphene Antidot Lattices.

    Science.gov (United States)

    Sandner, Andreas; Preis, Tobias; Schell, Christian; Giudici, Paula; Watanabe, Kenji; Taniguchi, Takashi; Weiss, Dieter; Eroms, Jonathan

    2015-12-01

    The bulk carrier mobility in graphene was shown to be enhanced in graphene-boron nitride heterostructures. However, nanopatterning graphene can add extra damage and drastically degrade the intrinsic properties by edge disorder. Here we show that graphene embedded into a heterostructure with hexagonal boron nitride (hBN) on both sides is protected during a nanopatterning step. In this way, we can prepare graphene-based antidot lattices where the high mobility is preserved. We report magnetotransport experiments in those antidot lattices with lattice periods down to 50 nm. We observe pronounced commensurability features stemming from ballistic orbits around one or several antidots. Due to the short lattice period in our samples, we can also explore the boundary between the classical and the quantum transport regime, as the Fermi wavelength of the electrons approaches the smallest length scale of the artificial potential. PMID:26598218

  7. Visualization of 3D optical lattices

    Science.gov (United States)

    Lee, Hoseong; Clemens, James

    2016-05-01

    We describe the visualization of 3D optical lattices based on Sisyphus cooling implemented with open source software. We plot the adiabatic light shift potentials found by diagonalizing the effective Hamiltonian for the light shift operator. Our program incorporates a variety of atomic ground state configurations with total angular momentum ranging from j = 1 / 2 to j = 4 and a variety of laser beam configurations including the two-beam lin ⊥ lin configuration, the four-beam umbrella configuration, and four beams propagating in two orthogonal planes. In addition to visualizing the lattice the program also evaluates lattice parameters such as the oscillation frequency for atoms trapped deep in the wells. The program is intended to help guide experimental implementations of optical lattices.

  8. Topological phase transitions in superradiance lattices

    CERN Document Server

    Wang, Da-Wei; Yuan, Luqi; Liu, Ren-Bao; Zhu, Shi-Yao

    2015-01-01

    The discovery of the quantum Hall effect (QHE) reveals a new class of matter phases, topological insulators (TI's), which have been extensively studied in solid-state materials and recently in photonic structures, time-periodic systems and optical lattices of cold atoms. All these topological systems are lattices in real space. Our recent study shows that Scully's timed Dicke states (TDS) can form a superradiance lattice (SL) in momentum space. Here we report the discovery of topological phase transitions in a two-dimensional SL in electromagnetically induced transparency (EIT). By periodically modulating the three EIT coupling fields, we can create a Haldane model with in-situ tunable topological properties. The Chern numbers of the energy bands and hence the topological properties of the SL manifest themselves in the contrast between diffraction signals emitted by superradiant TDS. The topological superradiance lattices (TSL) provide a controllable platform for simulating exotic phenomena in condensed matte...

  9. Camera placement in integer lattices (extended abstract)

    Science.gov (United States)

    Pocchiola, Michel; Kranakis, Evangelos

    1990-09-01

    Techniques for studying an art gallery problem (the camera placement problem) in the infinite lattice (L sup d) of d tuples of integers are considered. A lattice point A is visible from a camera C positioned at a vertex of (L sup d) if A does not equal C and if the line segment joining A and C crosses no other lattice vertex. By using a combination of probabilistic, combinatorial optimization and algorithmic techniques the position they must occupy in the lattice (L sup d) in the order to maximize their visibility can be determined in polynomial time, for any given number s less than or equal to (5 sup d) of cameras. This improves previous results for s less than or equal to (3 sup d).

  10. Topological spin models in Rydberg lattices

    CERN Document Server

    Kiffner, Martin; Jaksch, Dieter

    2016-01-01

    We show that resonant dipole-dipole interactions between Rydberg atoms in a triangular lattice can give rise to artificial magnetic fields for spin excitations. We consider the coherent dipole-dipole coupling between $np$ and $ns$ Rydberg states and derive an effective spin-1/2 Hamiltonian for the $np$ excitations. By breaking time-reversal symmetry via external fields we engineer complex hopping amplitudes for transitions between two rectangular sub-lattices. The phase of these hopping amplitudes depends on the direction of the hop. This gives rise to a staggered, artificial magnetic field which induces non-trivial topological effects. We calculate the single-particle band structure and investigate its Chern numbers as a function of the lattice parameters and the detuning between the two sub-lattices. We identify extended parameter regimes where the Chern number of the lowest band is $C=1$ or $C=2$.

  11. Diffusive description of lattice gas models

    DEFF Research Database (Denmark)

    Fiig, T.; Jensen, H.J.

    1993-01-01

    lattice gases are described by a diffusion equation without any bulk noise. The open lattice gas exhibits a crossover behavior as the probability for introducing particles at the edge of the system becomes small. The power spectrum changes from a 1/f to a 1/f2 spectrum. The diffusive description, proven......We have investigated a lattice gas model consisting of repulsive particles following deterministic dynamics. Two versions of the model are studied. In one case we consider a Finite open system in which particles can leave and enter the lattice over the edge. In the other case we use periodic...... boundary conditions. In both cases the density fluctuations exhibit a 1/f power spectrum. The individual particles behave asymptotically like ordinary random walkers. The collective behavior of these particles shows that due to the deterministic dynamics the particles behave as if they are correlated...

  12. Quantum Finite Elements for Lattice Field Theory

    CERN Document Server

    Brower, Richard C; Gasbarro, Andrew; Raben, Timothy; Tan, Chung-I; Weinberg, Evan

    2016-01-01

    Viable non-perturbative methods for lattice quantum field theories on curved manifolds are difficult. By adapting features from the traditional finite element methods (FEM) and Regge Calculus, a new simplicial lattice Quantum Finite Element (QFE) Lagrangian is constructed for fields on a smooth Riemann manifold. To reach the continuum limit additional counter terms must be constructed to cancel the ultraviolet distortions. This is tested by the comparison of phi 4-th theory at the Wilson-Fisher fixed point with the exact Ising (c =1/2) CFT on a 2D Riemann sphere. The Dirac equation is also constructed on a simplicial lattice approximation to a Riemann manifold by introducing a lattice vierbein and spin connection on each link. Convergence of the QFE Dirac equation is tested against the exact solution for the 2D Riemann sphere. Future directions and applications to Conformal Field Theories are suggested.

  13. Lattice Waves, Spin Waves, and Neutron Scattering

    Science.gov (United States)

    Brockhouse, Bertram N.

    1962-03-01

    Use of neutron inelastic scattering to study the forces between atoms in solids is treated. One-phonon processes and lattice vibrations are discussed, and experiments that verified the existence of the quantum of lattice vibrations, the phonon, are reviewed. Dispersion curves, phonon frequencies and absorption, and models for dispersion calculations are discussed. Experiments on the crystal dynamics of metals are examined. Dispersion curves are presented and analyzed; theory of lattice dynamics is considered; effects of Fermi surfaces on dispersion curves; electron-phonon interactions, electronic structure influence on lattice vibrations, and phonon lifetimes are explored. The dispersion relation of spin waves in crystals and experiments in which dispersion curves for spin waves in Co-Fe alloy and magnons in magnetite were obtained and the reality of the magnon was demonstrated are discussed. (D.C.W)

  14. Lattice Regenerative Cooling Methods (LRCM) Project

    Data.gov (United States)

    National Aeronautics and Space Administration — ORBITEC proposes to develop and demonstrate a novel cooling concept called Lattice Regenerative Cooling Methods (LRCM) for future high thrust in-space propulsion...

  15. Local gauge symmetry on optical lattices?

    CERN Document Server

    Liu, Yuzhi; Tsai, Shan-Wen

    2012-01-01

    The versatile technology of cold atoms confined in optical lattices allows the creation of a vast number of lattice geometries and interactions, providing a promising platform for emulating various lattice models. This opens the possibility of letting nature take care of sign problems and real time evolution in carefully prepared situations. Up to now, experimentalists have succeeded to implement several types of Hubbard models considered by condensed matter theorists. In this proceeding, we discuss the possibility of extending this effort to lattice gauge theory. We report recent efforts to establish the strong coupling equivalence between the Fermi Hubbard model and SU(2) pure gauge theory in 2+1 dimensions by standard determinantal methods developed by Robert Sugar and collaborators. We discuss the possibility of using dipolar molecules and external fields to build models where the equivalence holds beyond the leading order in the strong coupling expansion.

  16. Commensurability effects in holographic homogeneous lattices

    CERN Document Server

    Andrade, Tomas

    2015-01-01

    An interesting application of the gauge/gravity duality to condensed matter physics is the description of a lattice via breaking translational invariance on the gravity side. By making use of global symmetries, it is possible to do so without scarifying homogeneity of the pertinent bulk solutions, which we thus term as "homogeneous holographic lattices." Due to their technical simplicity, these configurations have received a great deal of attention in the last few years and have been shown to correctly describe momentum relaxation and hence (finite) DC conductivities. However, it is not clear whether they are able to capture other lattice effects which are of interest in condensed matter. In this paper we investigate this question focusing our attention on the phenomenon of commensurability, which arises when the lattice scale is tuned to be equal to (an integer multiple of) another momentum scale in the system. We do so by studying the formation of spatially modulated phases in various models of homogeneous ...

  17. Fractional Bloch oscillations in photonic lattices.

    Science.gov (United States)

    Corrielli, Giacomo; Crespi, Andrea; Della Valle, Giuseppe; Longhi, Stefano; Osellame, Roberto

    2013-01-01

    Bloch oscillations, the oscillatory motion of a quantum particle in a periodic potential, are one of the most fascinating effects of coherent quantum transport. Originally studied in the context of electrons in crystals, Bloch oscillations manifest the wave nature of matter and are found in a wide variety of different physical systems. Here we report on the first experimental observation of fractional Bloch oscillations, using a photonic lattice as a model system of a two-particle extended Bose-Hubbard Hamiltonian. In our photonic simulator, the dynamics of two correlated particles hopping on a one-dimensional lattice is mapped into the motion of a single particle in a two-dimensional lattice with engineered defects and mimicked by light transport in a square waveguide lattice with a bent axis.

  18. Fractional Bloch oscillations in photonic lattices

    CERN Document Server

    Corrielli, Giacomo; Della Valle, Giuseppe; Longhi, Stefano; Osellame, Roberto; 10.1038/ncomms2578

    2013-01-01

    Bloch oscillations, the oscillatory motion of a quantum particle in a periodic potential, are one of the most fascinating effects of coherent quantum transport. Originally studied in the context of electrons in crystals, Bloch oscillations manifest the wave nature of matter and are found in a wide variety of different physical systems. Here we report on the first experimental observation of fractional Bloch oscillations, using a photonic lattice as a model system of a two-particle extended Bose-Hubbard Hamiltonian. In our photonic simulator, the dynamics of two correlated particles hopping on a one-dimensional lattice is mapped into the motion of a single particle in a two-dimensional lattice with engineered defects and mimicked by light transport in a square waveguide lattice with a bent axis.

  19. Lattice engineering through nanoparticle-DNA frameworks

    Science.gov (United States)

    Tian, Ye; Zhang, Yugang; Wang, Tong; Xin, Huolin L.; Li, Huilin; Gang, Oleg

    2016-06-01

    Advances in self-assembly over the past decade have demonstrated that nano- and microscale particles can be organized into a large diversity of ordered three-dimensional (3D) lattices. However, the ability to generate different desired lattice types from the same set of particles remains challenging. Here, we show that nanoparticles can be assembled into crystalline and open 3D frameworks by connecting them through designed DNA-based polyhedral frames. The geometrical shapes of the frames, combined with the DNA-assisted binding properties of their vertices, facilitate the well-defined topological connections between particles in accordance with frame geometry. With this strategy, different crystallographic lattices using the same particles can be assembled by introduction of the corresponding DNA polyhedral frames. This approach should facilitate the rational assembly of nanoscale lattices through the design of the unit cell.

  20. Eight light flavors on large lattice volumes

    CERN Document Server

    Schaich, David

    2013-01-01

    I present first results from large-scale lattice investigations of SU(3) gauge theory with eight light flavors in the fundamental representation. Using leadership computing resources at Argonne, we are generating gauge configurations with lattice volumes up to $64^3\\times128$ at relatively strong coupling, in an attempt to access the chiral regime. We use nHYP-improved staggered fermions, carefully monitoring finite-volume effects and other systematics. Here I focus on analyses of the light hadron spectrum and chiral condensate, measured on lattice volumes up to $48^3\\times96$ with fermion masses as light as m=0.004 in lattice units. We find no clear indication of spontaneous chiral symmetry breaking in these observables. I discuss the implications of these initial results, and prospects for further physics projects employing these ensembles of gauge configurations.

  1. Persistent superconductor currents in holographic lattices.

    Science.gov (United States)

    Iizuka, Norihiro; Ishibashi, Akihiro; Maeda, Kengo

    2014-07-01

    We consider a persistent superconductor current along the direction with no translational symmetry in a holographic gravity model. Incorporating a lattice structure into the model, we numerically construct novel solutions of hairy charged stationary black branes with momentum or rotation along the latticed direction. The lattice structure prevents the horizon from rotating, and the total momentum is only carried by matter fields outside the black brane horizon. This is consistent with the black hole rigidity theorem, and it suggests that in dual field theory with lattices, superconductor currents are made up of "composite" fields, rather than "fractionalized" degrees of freedom. We also show that our solutions are consistent with the superfluid hydrodynamics. PMID:25032917

  2. Optical properties of graphene antidot lattices

    DEFF Research Database (Denmark)

    Pedersen, Thomas Garm; Flindt, Christian; Pedersen, Jesper Goor;

    2008-01-01

    Undoped graphene is semimetallic and thus not suitable for many electronic and optoelectronic applications requiring gapped semiconductor materials. However, a periodic array of holes (antidot lattice) renders graphene semiconducting with a controllable band gap. Using atomistic modeling, we...

  3. Lattice quantum chromodynamics with approximately chiral fermions

    Energy Technology Data Exchange (ETDEWEB)

    Hierl, Dieter

    2008-05-15

    In this work we present Lattice QCD results obtained by approximately chiral fermions. We use the CI fermions in the quenched approximation to investigate the excited baryon spectrum and to search for the {theta}{sup +} pentaquark on the lattice. Furthermore we developed an algorithm for dynamical simulations using the FP action. Using FP fermions we calculate some LECs of chiral perturbation theory applying the epsilon expansion. (orig.)

  4. Lattice Model for water-solute mixtures

    OpenAIRE

    Furlan, A. P.; Almarza, N. G.; M. C. Barbosa

    2016-01-01

    A lattice model for the study of mixtures of associating liquids is proposed. Solvent and solute are modeled by adapting the associating lattice gas (ALG) model. The nature of interaction solute/solvent is controlled by tuning the energy interactions between the patches of ALG model. We have studied three set of parameters, resulting on, hydrophilic, inert and hydrophobic interactions. Extensive Monte Carlo simulations were carried out and the behavior of pure components and the excess proper...

  5. Landau gauge gluon vertices from Lattice QCD

    CERN Document Server

    Duarte, Anthony G; Silva, Paulo J

    2016-01-01

    In lattice QCD the computation of one-particle irreducible (1PI) Green's functions with a large number (> 2) of legs is a challenging task. Besides tuning the lattice spacing and volume to reduce finite size effects, the problems associated with the estimation of higher order moments via Monte Carlo methods and the extraction of 1PI from complete Green's functions are limitations of the method. Herein, we address these problems revisiting the calculation of the three gluon 1PI Green's function.

  6. Topological Charge of Lattice Abelian Gauge Theory

    CERN Document Server

    Fujiwara, T; Wu, K

    2001-01-01

    Configuration space of abelian gauge theory on a periodic lattice becomes topologically disconnected by excising exceptional gauge field configurations. It is possible to define a U(1) bundle from the nonexceptional link variables by a smooth interpolation of the transition functions. The lattice analogue of Chern character obtained by a cohomological technique based on the noncommutative differential calculus is shown to give a topological charge related to the topological winding number of the U(1) bundle.

  7. Lattice QCD and the Jefferson Laboratory Program

    Energy Technology Data Exchange (ETDEWEB)

    Jozef Dudek, Robert Edwards, David Richards, Konstantinos Orginos

    2011-06-01

    Lattice gauge theory provides our only means of performing \\textit{ab initio} calculations in the non-perturbative regime. It has thus become an increasing important component of the Jefferson Laboratory physics program. In this paper, we describe the contributions of lattice QCD to our understanding of hadronic and nuclear physics, focusing on the structure of hadrons, the calculation of the spectrum and properties of resonances, and finally on deriving an understanding of the QCD origin of nuclear forces.

  8. Thermal Lattice Boltzmann Model for Compressible Fluid

    Institute of Scientific and Technical Information of China (English)

    SUN Cheng-Hai

    2000-01-01

    We formulate a new thermal lattice Boltzmann model to simulate compressible flows with a high Mach number.The main difference from the standard lattice Boltzmann models is that the particle velocities are no longer a constant, varying with the mean velocity and internal energy. The proper heat conduction term in the energy equation is recovered by modification of the fluctuating kinetic energy transported by particles. The simulation of Couette flow is in good agreement with the analytical solutions.

  9. Lattice Boltzmann approach for complex nonequilibrium flows.

    Science.gov (United States)

    Montessori, A; Prestininzi, P; La Rocca, M; Succi, S

    2015-10-01

    We present a lattice Boltzmann realization of Grad's extended hydrodynamic approach to nonequilibrium flows. This is achieved by using higher-order isotropic lattices coupled with a higher-order regularization procedure. The method is assessed for flow across parallel plates and three-dimensional flows in porous media, showing excellent agreement of the mass flow with analytical and numerical solutions of the Boltzmann equation across the full range of Knudsen numbers, from the hydrodynamic regime to ballistic motion. PMID:26565365

  10. Narrow Line Photoassociation in an Optical Lattice

    OpenAIRE

    Zelevinsky, T.; Boyd, M. M.; Ludlow, A. D.; Ido, T.; Ye, J.(Physics Department, Southern Methodist University, Dallas, TX, United States of America); Ciurylo, R.; Naidon, P.; P.S. Julienne

    2006-01-01

    With ultracold $^{88}$Sr in a 1D magic wavelength optical lattice, we performed narrow line photoassociation spectroscopy near the $^1$S$_0 - ^3$P$_1$ intercombination transition. Nine least-bound vibrational molecular levels associated with the long-range $0_u$ and $1_u$ potential energy surfaces were measured and identified. A simple theoretical model accurately describes the level positions and treats the effects of the lattice confinement on the line shapes. The measured resonance strengt...

  11. Prepotential Formulation of Lattice Gauge Theory

    OpenAIRE

    Raychowdhury, Indrakshi; Anishetty, Ramesh

    2014-01-01

    Within the Hamiltonian formulation of Lattice gauge theories, prepotentials, belonging to the fundamental representation of the gauge group and defined locally at each site of the lattice, enables us to construct local loop operators and loop states. We propose a set of diagrammatic rules for the action of local gauge invariant operators on arbitrary loop states. Moreover We propose a new set of fusion variables within the prepotential aproach suitable for approaching the weak coupling limit.

  12. Adaptive Lattice Filters for CDMA Overlay

    OpenAIRE

    Prahatheesan, V; Wang, J.

    2000-01-01

    This paper presents the behavior of reflection coefficients of a stochastic gradient lattice (SGL) filter applied to a code-division multiple-access overlay system. Analytic expressions for coefficients for a two-stage filter are derived in a Rayleigh fading channel with the presence of narrow-band interference and additive white Gaussian noise. It is shown that the coefficients of the lattice filter exhibit separate tracking and convergent properties,and that compared to an LMS filter, the l...

  13. Discrete Breathers in Lattices of Coupled Oscillators

    Institute of Scientific and Technical Information of China (English)

    ZHENG Zhi-Gang

    2001-01-01

    Discrete breathers are generic solutions for the dynamics of nonlinearly coupled oscillators. We show that discrete breathers can be observed in low-dimensional and high-dimensional lattices by exploring the sinusoidally coupled pendulum. Loss of stability of the breather solution is studied. We also find the existence of discrete breather in lattices with parameter mismatches. Breather phase synchronization is exhibited for the coupled chaotic oscillators.

  14. Bloch oscillations in optical dissipative lattices.

    Science.gov (United States)

    Efremidis, Nikolaos K; Christodoulides, Demetrios N

    2004-11-01

    We show that Bloch oscillations are possible in dissipative optical waveguide lattices with a linearly varying propagation constant. These oscillations occur in spite of the fact that the Bloch wave packet experiences coupling gain and (or) loss. Experimentally, this process can be observed in different settings, such as in laser arrays and lattices of semiconductor optical amplifiers. In addition, we demonstrate that these systems can suppress instabilities arising from preferential mode noise growth.

  15. Lattice quantum chromodynamics with approximately chiral fermions

    International Nuclear Information System (INIS)

    In this work we present Lattice QCD results obtained by approximately chiral fermions. We use the CI fermions in the quenched approximation to investigate the excited baryon spectrum and to search for the Θ+ pentaquark on the lattice. Furthermore we developed an algorithm for dynamical simulations using the FP action. Using FP fermions we calculate some LECs of chiral perturbation theory applying the epsilon expansion. (orig.)

  16. Relativistic Bottomonium Spectrum from Anisotropic Lattices

    OpenAIRE

    Liao, X.; Manke, T.

    2001-01-01

    We report on a first relativistic calculation of the quenched bottomonium spectrum from anisotropic lattices. Using a very fine discretisation in the temporal direction we were able to go beyond the non-relativistic approximation and perform a continuum extrapolation of our results from five different lattice spacings (0.04-0.17 fm) and two anisotropies (4 and 5). We investigate several systematic errors within the quenched approximation and compare our results with those from non-relativisti...

  17. Vague Congruences and Quotient Lattice Implication Algebras

    Directory of Open Access Journals (Sweden)

    Xiaoyan Qin

    2014-01-01

    Full Text Available The aim of this paper is to further develop the congruence theory on lattice implication algebras. Firstly, we introduce the notions of vague similarity relations based on vague relations and vague congruence relations. Secondly, the equivalent characterizations of vague congruence relations are investigated. Thirdly, the relation between the set of vague filters and the set of vague congruences is studied. Finally, we construct a new lattice implication algebra induced by a vague congruence, and the homomorphism theorem is given.

  18. Lattice models and conformal field theories

    International Nuclear Information System (INIS)

    Theoretical studies concerning the connection between critical physical systems and the conformal theories are reviewed. The conformal theory associated to a critical (integrable) lattice model is derived. The obtention of the central charge, critical exponents and torus partition function, using renormalization group arguments, is shown. The quantum group structure, in the integrable lattice models, and the theory of Visaro algebra representations are discussed. The relations between off-critical integrable models and conformal theories, in finite geometries, are studied

  19. Fast dynamics for atoms in optical lattices

    OpenAIRE

    Lacki, Mateusz; Zakrzewski, Jakub

    2016-01-01

    Cold atoms in optical lattices allow for accurate studies of many body dynamics. Rapid time-dependent modifications of optical lattice potentials may result in significant excitations in atomic systems. The dynamics in such a case is frequently quite incompletely described by standard applications of tight-binding models (such as e.g. Bose-Hubbard model or its extensions) that typically neglect the effect of the dynamics on the transformation between the real space and the tight-binding basis...

  20. Spin-Lattice-Coupled Order in Heisenberg Antiferromagnets on the Pyrochlore Lattice

    Science.gov (United States)

    Aoyama, Kazushi; Kawamura, Hikaru

    2016-06-01

    Effects of local lattice distortions on the spin ordering are investigated for the antiferromagnetic classical Heisenberg model on the pyrochlore lattice. It is found by Monte Carlo simulations that the spin-lattice coupling (SLC) originating from site phonons induces a first-order transition into two different types of collinear magnetic ordered states. The state realized at the stronger SLC is cubic symmetric characterized by the magnetic (1/2 ,1/2 ,1/2 ) Bragg peaks, while that at the weaker SLC is tetragonal symmetric characterized by the (1,1,0) ones, each accompanied by the commensurate local lattice distortions. Experimental implications to chromium spinels are discussed.

  1. The Beauty of Lattice Perturbation Theory: the Role of Lattice Perturbation Theory in B Physics

    Science.gov (United States)

    Monahan, C. J.

    2012-12-01

    As new experimental data arrive from the LHC the prospect of indirectly detecting new physics through precision tests of the Standard Model grows more exciting. Precise experimental and theoretical inputs are required to test the unitarity of the CKM matrix and to search for new physics effects in rare decays. Lattice QCD calculations of non-perturbative inputs have reached a precision at the level of a few percent; in many cases aided by the use of lattice perturbation theory. This review examines the role of lattice perturbation theory in B physics calculations on the lattice in the context of two questions: how is lattice perturbation theory used in the different heavy quark formalisms implemented by the major lattice collaborations? And what role does lattice perturbation theory play in determinations of non-perturbative contributions to the physical processes at the heart of the search for new physics? Framing and addressing these questions reveals that lattice perturbation theory is a tool with a spectrum of applications in lattice B physics.

  2. Some Poisson structures and Lax equations associated with the Toeplitz lattice and the Schur lattice

    Science.gov (United States)

    Lemarie, Caroline

    2016-01-01

    The Toeplitz lattice is a Hamiltonian system whose Poisson structure is known. In this paper, we unveil the origins of this Poisson structure and derive from it the associated Lax equations for this lattice. We first construct a Poisson subvariety H n of GL n (C), which we view as a real or complex Poisson-Lie group whose Poisson structure comes from a quadratic R-bracket on gl n (C) for a fixed R-matrix. The existence of Hamiltonians, associated to the Toeplitz lattice for the Poisson structure on H n , combined with the properties of the quadratic R-bracket allow us to give explicit formulas for the Lax equation. Then we derive from it the integrability in the sense of Liouville of the Toeplitz lattice. When we view the lattice as being defined over R, we can construct a Poisson subvariety H n τ of U n which is itself a Poisson-Dirac subvariety of GL n R (C). We then construct a Hamiltonian for the Poisson structure induced on H n τ , corresponding to another system which derives from the Toeplitz lattice the modified Schur lattice. Thanks to the properties of Poisson-Dirac subvarieties, we give an explicit Lax equation for the new system and derive from it a Lax equation for the Schur lattice. We also deduce the integrability in the sense of Liouville of the modified Schur lattice.

  3. Lattice calculation of nonleptonic charm decays

    International Nuclear Information System (INIS)

    The decays of charmed mesons into two body nonleptonic final states are investigated. Weak interaction amplitudes of interest in these decays are extracted from lattice four-point correlation functions using a effective weak Hamiltonian including effects to order Gf in the weak interactions yet containing effects to all orders in the strong interactions. The lattice calculation allows a quantitative examination of non-spectator processes in charm decays helping to elucidate the role of effects such as color coherence, final state interactions and the importance of the so called weak annihilation process. For D → Kπ, we find that the non-spectator weak annihilation diagram is not small, and we interpret this as evidence for large final state interactions. Moreover, there is indications of a resonance in the isospin 1/2 channel to which the weak annihilation process contributes exclusively. Findings from the lattice calculation are compared to results from the continuum vacuum saturation approximation and amplitudes are examined within the framework of the 1/N expansion. Factorization and the vacuum saturation approximation are tested for lattice amplitudes by comparing amplitudes extracted from lattice four-point functions with the same amplitude extracted from products of two-point and three-point lattice correlation functions arising out of factorization and vacuum saturation

  4. Holographic Superconductor on Q-lattice

    CERN Document Server

    Ling, Yi; Niu, Chao; Wu, Jian-Pin; Xian, Zhuo-Yu

    2014-01-01

    We construct the simplest gravitational dual model of a superconductor on Q-lattices. We analyze the condition for the existence of a critical temperature at which the charged scalar field will condense. In contrast to the holographic superconductor on ionic lattices, the presence of Q-lattices will suppress the condensate of the scalar field and lower the critical temperature. In particular, when the Q-lattice background is dual to a deep insulating phase, the condensation would never occur for some small charges. Furthermore, we numerically compute the optical conductivity in the superconducting regime. It turns out that the presence of Q-lattice does not remove the pole in the imaginary part of the conductivity, ensuring the appearance of a delta function in the real part. We also evaluate the gap which in general depends on the charge of the scalar field as well as the Q-lattice parameters. Nevertheless, when the charge of the scalar field is relatively large and approaches the probe limit, the gap become...

  5. Ultracold quantum gases in triangular optical lattices

    CERN Document Server

    Becker, C; Kronjäger, J; Dörscher, S; Bongs, K; Sengstock, K

    2009-01-01

    Over the last years the exciting developments in the field of ultracold atoms confined in optical lattices have led to numerous theoretical proposals devoted to the quantum simulation of problems e.g. known from condensed matter physics. Many of those ideas demand for experimental environments with non-cubic lattice geometries. In this paper we report on the implementation of a versatile three-beam lattice allowing for the generation of triangular as well as hexagonal optical lattices. As an important step the superfluid-Mott insulator (SF-MI) quantum phase transition has been observed and investigated in detail in this lattice geometry for the first time. In addition to this we study the physics of spinor Bose-Einstein condensates (BEC) in the presence of the triangular optical lattice potential, especially spin changing dynamics across the SF-MI transition. Our results suggest that below the SF-MI phase transition, a well-established mean-field model describes the observed data when renormalizing the spin-d...

  6. Subdirectly Irreducible and Directly Indecomposable Lattice Implication Algebras

    Institute of Scientific and Technical Information of China (English)

    WANG Xue-fang; XU Yang; SONG Zhen-ming

    2004-01-01

    Lattice implication algebra is analgebraic structure that is established by combining lattice andimplicative algebra. It originated from the study onlattice-valued logic. In this paper, we characterize two specialclasses of lattice implication algebra, namely, subdirectlyirreducible and directly indecomposable lattice implicationalgebras. Some important results are obtained.

  7. Disorder-induced soliton transmission in nonlinear photonic lattices

    CERN Document Server

    Kartashov, Yaroslav V; Torner, Lluis

    2011-01-01

    We address soliton transmission and reflection in nonlinear photonic lattices embedded into uniform Kerr nonlinear media. We show that by introducing disorder into the guiding lattice channels, one may achieve soliton transmission even under conditions where regular lattices reflect the input beam completely. In contrast, in the parameter range where the lattice is almost transparent for incoming solitons, disorder may induce a significant reflection.

  8. Data Hiding and Water Marking Security based on nested lattices

    OpenAIRE

    V.S Giridhar Akula; P ChndraSekhar Reddy; N.KalpaLatha; R.Sivam

    2010-01-01

    This paper focuses on the security of data hiding principles based on nested lattices. Security key is used in the embedding process to provide security for different watermarked signals. Lattice partitioning is the concept adopted for data hiding. Self similar lattice construction is used to construct nested lattice codes.

  9. Discrete Fourier analysis with lattices on planar domains

    CERN Document Server

    Li, Huiyuan; Xu, Yuan

    2009-01-01

    A discrete Fourier analysis associated with translation lattices is developed recently by the authors. It permits two lattices, one determining the integral domain and the other determining the family of exponential functions. Possible choices of lattices are discussed in the case of lattices that tile $\\RR^2$ and several new results on cubature and interpolation by trigonometric, as well as algebraic, polynomials are obtained.

  10. Computational study of the generation of crystal defects in a bcc metal target irradiated by short laser pulses

    Science.gov (United States)

    Lin, Zhibin; Johnson, Robert A.; Zhigilei, Leonid V.

    2008-06-01

    The generation of crystal defects in a Cr target irradiated by a short, 200 fs, laser pulse is investigated in computer simulations performed with a computational model that combines the classical molecular dynamics method with a continuum description of the laser excitation of conduction band electrons, electron-phonon coupling, and electron heat conduction. Interatomic interactions are described by the embedded atom method (EAM) potential with a parametrization designed for Cr. The potential is tested by comparing the properties of the EAM Cr material with experimental data and predictions of density functional theory calculations. The simulations are performed at laser fluences close to the threshold for surface melting. Fast temperature variation and strong thermoelastic stresses produced by the laser pulse are causing surface melting and epitaxial resolidification, transient appearance of a high density of stacking faults along the {110} planes, and generation of a large number of point defects (vacancies and self-interstitials). The stacking faults appear as a result of internal shifts in the crystal undergoing a rapid uniaxial expansion in the direction normal to the irradiated surface. The stacking faults are unstable and disappear shortly after the laser-induced tensile stress wave leaves the surface region of the target. Thermally activated generation of vacancy-interstitial pairs during the initial temperature spike and quick escape of highly mobile self-interstitials to the melting front or the free surface of the target, along with the formation of vacancies at the solid-liquid interface during the fast resolidification process, result in a high density of vacancies, on the order of 10-3 per lattice site, created in the surface region of the target. The strong supersaturation of vacancies can be related to the incubation effect in multipulse laser ablation/damage and should play an important role in mixing/alloying of multicomponent or composite

  11. Matter-wave bright solitons in effective bichromatic lattice potentials

    Indian Academy of Sciences (India)

    Golam Ali Sekh

    2013-08-01

    Matter-wave bright solitons in bichromatic lattice potentials are considered and their dynamics for different lattice environments are studied. Bichromatic potentials are created from superpositions of (i) two linear optical lattices and (ii) a linear and a nonlinear optical lattice. Effective potentials are found for the solitons in both bichromatic lattices and a comparative study is done on the dynamics of solitons with respect to the effective potentials. The effects of dispersion on solitons in bichromatic lattices are studied and it is found that the dispersive spreading can be minimized by appropriate combinations of lattice and interaction parameters. Stability of nondispersive matter-wave solitons is checked from phase portrait analysis.

  12. Lattice Based Tools in Cryptanalysis for Public Key Cryptography

    Directory of Open Access Journals (Sweden)

    R.Santosh Kumar

    2012-03-01

    Full Text Available Lattice reduction is a powerful concept for solving diverse problems involving point lattices. Latticereduction has been successfully utilizing in Number Theory, Linear algebra and Cryptology. Not only the existence of lattice based cryptosystems of hard in nature, but also has vulnerabilities by lattice reduction techniques. In this survey paper, we are focusing on point lattices and then describing an introduction to the theoretical and practical aspects of lattice reduction. Finally, we describe the applications of lattice reduction in Number theory, Linear algebra

  13. Hyper-lattice algebraic model for data warehousing

    CERN Document Server

    Sen, Soumya; Chaki, Nabendu

    2016-01-01

    This book presents Hyper-lattice, a new algebraic model for partially ordered sets, and an alternative to lattice. The authors analyze some of the shortcomings of conventional lattice structure and propose a novel algebraic structure in the form of Hyper-lattice to overcome problems with lattice. They establish how Hyper-lattice supports dynamic insertion of elements in a partial order set with a partial hierarchy between the set members. The authors present the characteristics and the different properties, showing how propositions and lemmas formalize Hyper-lattice as a new algebraic structure.

  14. Few quantum particles on one dimensional lattices

    Energy Technology Data Exchange (ETDEWEB)

    Valiente Cifuentes, Manuel

    2010-06-18

    There is currently a great interest in the physics of degenerate quantum gases and low-energy few-body scattering due to the recent experimental advances in manipulation of ultracold atoms by light. In particular, almost perfect periodic potentials, called optical lattices, can be generated. The lattice spacing is fixed by the wavelength of the laser field employed and the angle betwen the pair of laser beams; the lattice depth, defining the magnitude of the different band gaps, is tunable within a large interval of values. This flexibility permits the exploration of different regimes, ranging from the ''free-electron'' picture, modified by the effective mass for shallow optical lattices, to the tight-binding regime of a very deep periodic potential. In the latter case, effective single-band theories, widely used in condensed matter physics, can be implemented with unprecedent accuracy. The tunability of the lattice depth is nowadays complemented by the use of magnetic Feshbach resonances which, at very low temperatures, can vary the relevant atom-atom scattering properties at will. Moreover, optical lattices loaded with gases of effectively reduced dimensionality are experimentally accessible. This is especially important for one spatial dimension, since most of the exactly solvable models in many-body quantum mechanics deal with particles on a line; therefore, experiments with one-dimensional gases serve as a testing ground for many old and new theories which were regarded as purely academic not so long ago. The physics of few quantum particles on a one-dimensional lattice is the topic of this thesis. Most of the results are obtained in the tight-binding approximation, which is amenable to exact numerical or analytical treatment. For the two-body problem, theoretical methods for calculating the stationary scattering and bound states are developed. These are used to obtain, in closed form, the two-particle solutions of both the Hubbard and

  15. Reconstructing Concept Lattices Usingnth-Order Context Kernels

    Institute of Scientific and Technical Information of China (English)

    SHEN Xiajiong; XU Bin; LIU Zongtian

    2006-01-01

    To be different from traditional algorithms for concept lattice constructing, a method based on nth-order context kernel is suggested in this paper.The context kernels support generating small lattices for sub-contexts split by a given context.The final concept lattice is reconstructed by combining these small lattices.All relevant algorithms are implemented in a system IsoFCA.Test shows that the method yields concept lattices in lower time complexity than Godin algorithm in practical case.

  16. Moisture transport in swelling media modelled with a Lattice Boltzmann scheme having a deforming lattice

    NARCIS (Netherlands)

    Sman, van der R.G.M.

    2014-01-01

    In this paper we present a novel numerical scheme for simulating the one-dimensional deformation of hydrogel material due to drying or rehydration. The scheme is based on the versatile Lattice Boltzmann method, which has been extended such that the computational grid (lattice) deforms due to shrinka

  17. Lattice-induced transparency in planar metamaterials

    Science.gov (United States)

    Manjappa, Manukumara; Srivastava, Yogesh Kumar; Singh, Ranjan

    2016-10-01

    Lattice modes are intrinsic to periodic structures and they can be easily tuned and controlled by changing the lattice constant of the structural array. Previous studies have revealed the excitation of sharp absorption resonances due to lattice mode coupling with the plasmonic resonances. Here, we report an experimental observation of a lattice-induced transparency (LIT) by coupling the first-order lattice mode (FOLM) to the structural resonance of a terahertz asymmetric split ring resonator. The observed sharp transparency is a result of the destructive interference between the bright mode and the FOLM assisted dark mode. As the FOLM is swept across the metamaterial resonance, the transparency band undergoes a large change in its bandwidth and resonance position. We propose a three-oscillator model to explain the underlying coupling mechanism in LIT system that shows good agreement with the observed results. Besides controlling the transparency behavior, LIT also shows a huge enhancement in its Q factor and exhibits a high group delay of 28 ps with an enhanced group index of 4.5 ×104 , which could be pivotal in ultrasensitive sensing and slow-light device applications.

  18. Mechanical Weyl Modes in Topological Maxwell Lattices

    Science.gov (United States)

    Rocklin, D. Zeb; Chen, Bryan Gin-ge; Falk, Martin; Vitelli, Vincenzo; Lubensky, T. C.

    2016-04-01

    We show that two-dimensional mechanical lattices can generically display topologically protected bulk zero-energy phonon modes at isolated points in the Brillouin zone, analogs of massless fermion modes of Weyl semimetals. We focus on deformed square lattices as the simplest Maxwell lattices, characterized by equal numbers of constraints and degrees of freedom, with this property. The Weyl points appear at the origin of the Brillouin zone along directions with vanishing sound speed and move away to the zone edge (or return to the origin) where they annihilate. Our results suggest a design strategy for topological metamaterials with bulk low-frequency acoustic modes and elastic instabilities at a particular, tunable finite wave vector.

  19. Spectroscopy of charmed baryons from lattice QCD

    International Nuclear Information System (INIS)

    We present the ground and excited state spectra of singly, doubly and triply charmed baryons by using dynamical lattice QCD. A large set of baryonic operators that respect the symmetries of the lattice and are obtained after subduction from their continuum analogues are utilized. Using novel computational techniques correlation functions of these operators are generated and the variational method is exploited to extract excited states. The lattice spectra that we obtain have baryonic states with well-defined total spins up to 7/2 and the low lying states remarkably resemble the expectations of quantum numbers from SU(6) x O(3) symmetry. Various energy splittings between the extracted states, including splittings due to hyperfine as well as spin-orbit coupling, are considered and those are also compared against similar energy splittings at other quark masses.

  20. Spectroscopy of charmed baryons from lattice QCD

    CERN Document Server

    Padmanath, M; Mathur, Nilmani; Peardon, Michael

    2014-01-01

    We present the ground and excited state spectra of singly, doubly and triply charmed baryons by using dynamical lattice QCD. A large set of baryonic operators that respect the symmetries of the lattice and are obtained after subduction from their continuum analogues are utilized. Using novel computational techniques correlation functions of these operators are generated and the variational method is exploited to extract excited states. The lattice spectra that we obtain have baryonic states with well-defined total spins up to 7/2 and the low lying states remarkably resemble the expectations of quantum numbers from SU(6) $\\otimes$ O(3) symmetry. Various energy splittings between the extracted states, including splittings due to hyperfine as well as spin-orbit coupling, are considered and those are also compared against similar energy splittings at other quark masses.

  1. Spectroscopy of charmed baryons from lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Padmanath, M. [Univ. of Graz (Austria). Inst. of Physics; Edwards, Robert G. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Mathur, Nilmani [Tata Institute of Fundamental Research, Bombay (India); Peardon, Michael [Trinity College, Dublin (Ireland)

    2015-01-01

    We present the ground and excited state spectra of singly, doubly and triply charmed baryons by using dynamical lattice QCD. A large set of baryonic operators that respect the symmetries of the lattice and are obtained after subduction from their continuum analogues are utilized. Using novel computational techniques correlation functions of these operators are generated and the variational method is exploited to extract excited states. The lattice spectra that we obtain have baryonic states with well-defined total spins up to 7/2 and the low lying states remarkably resemble the expectations of quantum numbers from SU(6) x O(3) symmetry. Various energy splittings between the extracted states, including splittings due to hyperfine as well as spin-orbit coupling, are considered and those are also compared against similar energy splittings at other quark masses.

  2. Nuclear effective field theory on the lattice

    CERN Document Server

    Krebs, H; Epelbaum, E; Lee, D; ner, Ulf-G Mei\\ss

    2008-01-01

    In the low-energy region far below the chiral symmetry breaking scale (which is of the order of 1 GeV) chiral perturbation theory provides a model-independent approach for quantitative description of nuclear processes. In the two- and more-nucleon sector perturbation theory is applicable only at the level of an effective potential which serves as input in the corresponding dynamical equation. To deal with the resulting many-body problem we put chiral effective field theory (EFT) on the lattice. Here we present the results of our lattice EFT study up to next-to-next-to-leading order in the chiral expansion. Accurate description of two-nucleon phase-shifts and ground state energy ratio of dilute neutron matter up to corrections of higher orders shows that lattice EFT is a promising tool for a quantitative description of low-energy few- and many-body systems.

  3. Chiral perturbation theory for lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Baer, Oliver

    2010-07-21

    The formulation of chiral perturbation theory (ChPT) for lattice Quantum Chromodynamics (QCD) is reviewed. We start with brief summaries of ChPT for continuum QCD as well as the Symanzik effective theory for lattice QCD. We then review the formulation of ChPT for lattice QCD. After an additional chapter on partial quenching and mixed action theories various concrete applications are discussed: Wilson ChPT, staggered ChPT and Wilson ChPT with a twisted mass term. The remaining chapters deal with the epsilon regime with Wilson fermions and selected results in mixed action ChPT. Finally, the formulation of heavy vector meson ChPT with Wilson fermions is discussed. (orig.)

  4. Multisite Interactions in Lattice-Gas Models

    Science.gov (United States)

    Einstein, T. L.; Sathiyanarayanan, R.

    For detailed applications of lattice-gas models to surface systems, multisite interactions often play at least as significant a role as interactions between pairs of adatoms that are separated by a few lattice spacings. We recall that trio (3-adatom, non-pairwise) interactions do not inevitably create phase boundary asymmetries about half coverage. We discuss a sophisticated application to an experimental system and describe refinements in extracting lattice-gas energies from calculations of total energies of several different ordered overlayers. We describe how lateral relaxations complicate matters when there is direct interaction between the adatoms, an issue that is important when examining the angular dependence of step line tensions. We discuss the connector model as an alternative viewpoint and close with a brief account of recent work on organic molecule overlayers.

  5. How to Share a Lattice Trapdoor

    DEFF Research Database (Denmark)

    Bendlin, Rikke; Peikert, Chris; Krehbiel, Sara

    2013-01-01

    delegation, which is used in lattice-based hierarchical IBE schemes. Our work therefore directly transfers all these systems to the threshold setting. Our protocols provide information-theoretic (i.e., statistical) security against adaptive corruptions in the UC framework, and they are robust against up to ℓ......We develop secure threshold protocols for two important operations in lattice cryptography, namely, generating a hard lattice Λ together with a "strong" trapdoor, and sampling from a discrete Gaussian distribution over a desired coset of Λ using the trapdoor. These are the central operations of...... many cryptographic schemes: for example, they are exactly the key-generation and signing operations (respectively) for the GPV signature scheme, and they are the public parameter generation and private key extraction operations (respectively) for the GPV IBE. We also provide a protocol for trapdoor...

  6. Lattice Boltzmann model for numerical relativity.

    Science.gov (United States)

    Ilseven, E; Mendoza, M

    2016-02-01

    In the Z4 formulation, Einstein equations are written as a set of flux conservative first-order hyperbolic equations that resemble fluid dynamics equations. Based on this formulation, we construct a lattice Boltzmann model for numerical relativity and validate it with well-established tests, also known as "apples with apples." Furthermore, we find that by increasing the relaxation time, we gain stability at the cost of losing accuracy, and by decreasing the lattice spacings while keeping a constant numerical diffusivity, the accuracy and stability of our simulations improve. Finally, in order to show the potential of our approach, a linear scaling law for parallelization with respect to number of CPU cores is demonstrated. Our model represents the first step in using lattice kinetic theory to solve gravitational problems. PMID:26986435

  7. Mechanical Weyl Modes in Topological Maxwell Lattices.

    Science.gov (United States)

    Rocklin, D Zeb; Chen, Bryan Gin-Ge; Falk, Martin; Vitelli, Vincenzo; Lubensky, T C

    2016-04-01

    We show that two-dimensional mechanical lattices can generically display topologically protected bulk zero-energy phonon modes at isolated points in the Brillouin zone, analogs of massless fermion modes of Weyl semimetals. We focus on deformed square lattices as the simplest Maxwell lattices, characterized by equal numbers of constraints and degrees of freedom, with this property. The Weyl points appear at the origin of the Brillouin zone along directions with vanishing sound speed and move away to the zone edge (or return to the origin) where they annihilate. Our results suggest a design strategy for topological metamaterials with bulk low-frequency acoustic modes and elastic instabilities at a particular, tunable finite wave vector. PMID:27081989

  8. Lattice dynamics in Bosonic 7 Li

    Science.gov (United States)

    Chen, Huiyao Y.; Jung, Minwoo; Rabinowitz, Jacob; Madjarov, Ivaylo S.; Cheung, Hil F. H.; Patil, Yogesh Sharad; Vengalattore, Mukund

    2016-05-01

    The light mass and strong spin-dependent interactions in 7 Li make it an attractive candidate to study Bosonic quantum magnetism and lattice dynamics in regimes where rapid dynamics is favored, e.g. percolative transport and entropy segregation. Such studies require large ensembles of quantum degenerate 7 Li atoms which has proved to be a technical challenge. We describe our ongoing efforts to overcome this challenge using Raman sideband cooling (RSC). In addition to enabling the rapid production of large degenerate gases, RSC is also a very powerful means of local control of lattice gas dynamics. Extending this to a spinful 7 Li Bose gas will also enable studies of transport and defect dynamics in F=1 lattice gases. This work is supported by the ARO MURI on non-equilibrium dynamics.

  9. Featureless quantum insulator on the honeycomb lattice

    Science.gov (United States)

    Kim, Panjin; Lee, Hyunyong; Jiang, Shenghan; Ware, Brayden; Jian, Chao-Ming; Zaletel, Michael; Han, Jung Hoon; Ran, Ying

    2016-08-01

    We show how to construct fully symmetric states without topological order on a honeycomb lattice for S =1/2 spins using the language of projected entangled pair states. An explicit example is given for the virtual bond dimension D =4 . Four distinct classes differing by lattice quantum numbers are found by applying the systematic classification scheme introduced by two of the authors [S. Jiang and Y. Ran, Phys. Rev. B 92, 104414 (2015), 10.1103/PhysRevB.92.104414]. Lack of topological degeneracy or other conventional forms of symmetry breaking in the proposed wave functions are checked by numerical calculations of the entanglement entropy and various correlation functions. Exponential decay of all correlation functions measured are strongly indicative of the energy gap for the putative parent Hamiltonian of the state. Our work provides the first explicit realization of a featureless quantum state for spin-1/2 particles on a honeycomb lattice.

  10. Chiral perturbation theory for lattice QCD

    International Nuclear Information System (INIS)

    The formulation of chiral perturbation theory (ChPT) for lattice Quantum Chromodynamics (QCD) is reviewed. We start with brief summaries of ChPT for continuum QCD as well as the Symanzik effective theory for lattice QCD. We then review the formulation of ChPT for lattice QCD. After an additional chapter on partial quenching and mixed action theories various concrete applications are discussed: Wilson ChPT, staggered ChPT and Wilson ChPT with a twisted mass term. The remaining chapters deal with the epsilon regime with Wilson fermions and selected results in mixed action ChPT. Finally, the formulation of heavy vector meson ChPT with Wilson fermions is discussed. (orig.)

  11. Strangeness at finite temperature from Lattice QCD

    CERN Document Server

    Noronha-Hostler, Jacquelyn; Gunther, Jana; Parotto, Paolo; Pasztor, Attila; Vazquez, Israel Portillo; Ratti, Claudia

    2016-01-01

    The precision reached by recent lattice QCD results allows for the first time to investigate whether the measured hadronic spectrum is missing some additional strange states, which are predicted by the Quark Model but have not yet been detected. This can be done by comparing some sensitive thermodynamic observables from lattice QCD to the predictions of the Hadron Resonance Gas model (with the inclusion of decays [3]). We propose a set of specific observables, defined as linear combinations of conserved charge fluctuations, which allow to investigate this issue for baryons containing one or more strange quarks separately. Applications of these observables to isolate the multiplicity fluctuations of kaons from lattice QCD, and their comparison with the experimental results, are also discussed.

  12. Discrete breathers in hexagonal dusty plasma lattices.

    Science.gov (United States)

    Koukouloyannis, V; Kourakis, I

    2009-08-01

    The occurrence of single-site or multisite localized vibrational modes, also called discrete breathers, in two-dimensional hexagonal dusty plasma lattices is investigated. The system is described by a Klein-Gordon hexagonal lattice characterized by a negative coupling parameter epsilon in account of its inverse dispersive behavior. A theoretical analysis is performed in order to establish the possibility of existence of single as well as three-site discrete breathers in such systems. The study is complemented by a numerical investigation based on experimentally provided potential forms. This investigation shows that a dusty plasma lattice can support single-site discrete breathers, while three-site in phase breathers could exist if specific conditions, about the intergrain interaction strength, would hold. On the other hand, out of phase and vortex three-site breathers cannot be supported since they are highly unstable.

  13. Strongly Coupled Graphene on the Lattice

    CERN Document Server

    Lähde, Timo A

    2011-01-01

    The two-dimensional carbon allotrope graphene has recently attracted a lot of attention from researchers in the disciplines of Lattice Field Theory, Lattice QCD and Monte Carlo calculations. This interest has been prompted by several remarkable properties of the conduction electrons in graphene. For instance, the conical band structure of graphene at low energies is strongly reminiscent of relativistic Dirac fermions. Also, due the low Fermi velocity of v_F = c/300, where c is the speed of light in vacuum, the physics of the conduction electrons in graphene is qualitatively similar to Quantum Electrodynamics in a strongly coupled regime. In turn, this opens up the prospect of the experimental realization of gapped, strongly correlated states in the electronic phase diagram of graphene. Here, we review the experimental and theoretical motivations for Lattice Field Theory studies of graphene, and describe the directions that such research is likely to progress in during the next few years. We also give a brief ...

  14. The thermoelectric properties of inhomogeneous holographic lattices

    CERN Document Server

    Donos, Aristomenis

    2014-01-01

    We consider inhomogeneous, periodic, holographic lattices of D=4 Einstein-Maxwell theory. We show that the DC thermoelectric conductivity matrix can be expressed analytically in terms of the horizon data of the corresponding black hole solution. We numerically construct such black hole solutions for lattices consisting of one, two and ten wave-numbers. We numerically determine the AC electric conductivity which reveals Drude physics as well as resonances associated with sound modes. No evidence for an intermediate frequency scaling regime is found. All of the monochromatic lattice black holes that we have constructed exhibit scaling behaviour at low temperatures which is consistent with the appearance of $AdS_2\\times\\mathbb{R}^2$ in the far IR at T=0.

  15. Anomaly cancellation condition in lattice gauge theory

    International Nuclear Information System (INIS)

    We show that, to all orders of powers of the gauge potential, a gauge anomaly Α defined on 4-dimensional infinite lattice can always be removed by a local counterterm, provided that Α depends smoothly and locally on the gauge potential and that Α reproduces the gauge anomaly in the continuum theory in the classical continuum limit: The unique exception is proportional to the anomaly in the continuum theory. This follows from an analysis of nontrivial local solutions to the Wess-Zumino consistency condition in lattice gauge theory. Our result is applicable to the lattice chiral gauge theory based on the Ginsparg-Wilson Dirac operator, when the gauge field is sufficiently weak parallel-U(n,μ) - 1-parallel < ε', where U(n,μ) is the link variable and ε' a certain small positive constant. (author)

  16. Lattice Boltzmann model for numerical relativity.

    Science.gov (United States)

    Ilseven, E; Mendoza, M

    2016-02-01

    In the Z4 formulation, Einstein equations are written as a set of flux conservative first-order hyperbolic equations that resemble fluid dynamics equations. Based on this formulation, we construct a lattice Boltzmann model for numerical relativity and validate it with well-established tests, also known as "apples with apples." Furthermore, we find that by increasing the relaxation time, we gain stability at the cost of losing accuracy, and by decreasing the lattice spacings while keeping a constant numerical diffusivity, the accuracy and stability of our simulations improve. Finally, in order to show the potential of our approach, a linear scaling law for parallelization with respect to number of CPU cores is demonstrated. Our model represents the first step in using lattice kinetic theory to solve gravitational problems.

  17. Lattice Three-Dimensional Skyrmions Revisited

    CERN Document Server

    Charalampidis, E G; Kevrekidis, P G

    2014-01-01

    In the continuum a skyrmion is a topological nontrivial map between Riemannian manifolds, and a stationary point of a particular energy functional. This paper describes lattice analogues of the aforementioned skyrmions, namely a natural way of using the topological properties of the three-dimensional continuum Skyrme model to achieve topological stability on the lattice. In particular, using fixed point iterations, numerically exact lattice skyrmions are constructed; and their stability under small perturbations is verified by means of linear stability analysis. While stable branches of such solutions are identified, it is also shown that they possess a particularly delicate bifurcation structure, especially so in the vicinity of the continuum limit. The corresponding bifurcation diagram is elucidated and a prescription for selecting the branch asymptoting to the well-known continuum limit is given. Finally, the robustness of the solutions by virtue of direct numerical simulations is corroborated.

  18. Low-energy scattering on the lattice

    International Nuclear Information System (INIS)

    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 κafd=1.174(9) and κrfd=-0.029(13), where κ represents the binding momentum of dimer and afd (rfd) 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.

  19. Quantitative consistency testing of thermal benchmark lattice experiments

    International Nuclear Information System (INIS)

    The paper sets forth a general method to demonstrate the quantitative consistency (or inconsistency) of results of thermal reactor lattice experiments. The method is of particular importance in selecting standard ''benchmark'' experiments for comparison testing of lattice analysis codes and neutron cross sections. ''Benchmark'' thermal lattice experiments are currently selected by consensus, which usually means the experiment is geometrically simple, well-documented, reasonably complete, and qualitatively consistent. A literature search has not revealed any general quantitative test that has been applied to experimental results to demonstrate consistency, although some experiments must have been subjected to some form or other of quantitative test. The consistency method is based on a two-group neutron balance condition that is capable of revealing the quantitative consistency (or inconsistency) of reported thermal benchmark lattice integral parameters. This equation is used in conjunction with a second equation in the following discussion to assess the consistency (or inconsistency) of: (1) several Cross Section Evaluation Working Group (CSEWG) defined thermal benchmark lattices, (2) SRL experiments on the Mark 5R and Mark 15 lattices, and (3) several D2O lattices encountered as proposed thermal benchmark lattices. Nineteen thermal benchmark lattice experiments were subjected to a quantitative test of consistency between the reported experimental integral parameters. Results of this testing showed only two lattice experiments to be generally useful as ''benchmarks,'' three lattice experiments to be of limited usefulness, three lattice experiments to be potentially useful, and 11 lattice experiments to be not useful. These results are tabulated with the lattices identified

  20. Spin-polarized scanning tunneling microscopy of magnetic nanostructures at the example of bcc-Co/Fe(110), Fe/Mo(110), and copper phthalocyanine/Fe(1110); Spinpolarisierte Rastertunnelmikroskopie magnetischer Nanostrukturen am Beispiel von bcc-Co/Fe(110), Fe/Mo(110) und Kupfer-Phthalocyanin/Fe(110)

    Energy Technology Data Exchange (ETDEWEB)

    Methfessel, Torsten

    2010-12-09

    This thesis provides an introduction into the technique of spin-polarized scanning tunnelling microscopy and spectroscopy as an experimental method for the investigation of magnetic nanostructures. Experimental results for the spin polarized electronic structure depending on the crystal structure of ultrathin Co layers, and depending on the direction of the magnetization for ultrathin Fe layers are presented. High-resolution measurements show the position-dependent spin polarization on a single copper-phthalocyanine molecule deposited on a ferromagnetic surface. Co was deposited by molecular beam epitaxy on the (110) surface of the bodycentered cubic metals Cr and Fe. In contrast to previous reports in the literature only two layers of Co can be stabilized in the body-centered cubic (bcc) structure. The bcc-Co films on the Fe(110) surface show no signs of epitaxial distortions. Thicker layers reconstruct into a closed-packed structure (hcp / fcc). The bcc structure increases the spin-polarization of Co to P=62 % in comparison to hcp-Co (P=45 %). The temperature-dependent spin-reorientation of ultrathin Fe/Mo(110) films was investigated by spin-polarized spectroscopy. A reorientation of the magnetic easy axis from the [110] direction along the surface normal to the in-plane [001] axis is observed at T (13.2{+-}0.5) K. This process can be identified as a discontinuous reorientation transition, revealing two simultaneous minima of the free energy in a certain temperature range. The electronic structure of mono- and double-layer Fe/Mo(110) shows a variation with the reorientation of the magnetic easy axis and with the direction of the magnetization. The investigation of the spin-polarized charge transport through a copper-phthalocyanine molecule on the Fe/Mo(110) surface provides an essential contribution to the understanding of spin-transport at the interface between metal and organic molecule. Due to the interaction with the surface of the metal the HOMO-LUMO energy