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Bounds and self-consistent estimates for elastic constants of granular polycrystals composed of orthorhombics or crystal with higher symmetries

Description: Methods for computing Hashin-Shtrikman bounds and related self-consistent estimates of elastic constants for polycrystals composed of crystals having orthorhombic symmetry have been known for about three decades. However, these methods are underutilized, perhaps because of some perceived difficulties with implementing the necessary computational procedures. Several simplifications of these techniques are introduced, thereby reducing the overall computational burden, as well as the complications inherent in mapping out the Hashin-Shtrikman bounding curves. The self-consistent estimates of the effective elastic constants are very robust, involving a quickly converging iteration procedure. Once these self-consistent values are known, they may then be used to speed up the computations of the Hashin-Shtrikman bounds themselves. It is shown furthermore that the resulting orthorhombic polycrystal code can be used as well to compute both bounds and self-consistent estimates for polycrystals of higher-symmetry tetragonal, hexagonal, and cubic (but not trigonal) materials. The self-consistent results found this way are shown to be the same as those obtained using the earlier methods, specifically those methods designed specially for each individual symmetry type. But the Hashin-Shtrikman bounds found using the orthorhombic code are either the same or (more typically) tighter than those found previously for these special cases (i.e., tetragonal, hexagonal, and cubic). The improvement in the Hashin-Shtrikman bounds is presumably due to the additional degrees of freedom introduced into the available search space.
Date: February 1, 2011
Creator: Berryman, J. G.
Partner: UNT Libraries Government Documents Department

Semiclassical (SC) Description of Electronically Non-AdiabaticDynamics via the Initial Value Representation (IVR)

Description: The initial value representation (IVR) of semiclassical (SC) theory is used in conjunction with the Meyer-Miller/Stock-Thoss description of electronic degrees of freedom in order to treat electronically non-adiabatic processes. It is emphasized that the classical equations of motion for the nuclear and electronic degrees of freedom that emerge in this description are precisely the Ehrenfest equations of motion (the force on the nuclei is the force averaged over the electronic wavefunction), but that the trajectories given by these equations of motion do not have the usual shortcomings of the traditional Ehrenfest model when they are used within the SC-IVR framework. For example, in the traditional Ehrenfest model (a mixed quantum-classical approach) the nuclear motion emerges from a non-adiabatic encounter on an average potential energy surface (a weighted average according to the population in the various electronic states), while the SC-IVR describes the correct correlation between electronic and nuclear dynamics, i.e., the nuclear motion is on one potential energy surface or the other depending on the electronic state. Calculations using forward-backward versions of SC-IVR theory (FB-IVR) are presented to illustrate this behavior. An even more approximate version of the SC-IVR, the linearized approximation (LSC-IVR), is slightly better than the traditional Ehrenfest model, but since it cannot describe quantum coherence effects, the LSC-IVR is also not able to describe the correct correlation between nuclear and electronic dynamics.
Date: June 22, 2007
Creator: Ananth, V.; Venkataraman, C. & Miller, W.H.
Partner: UNT Libraries Government Documents Department


Description: The experimental and theoretical status of the ''near perfect fluid'' at RHIC is discussed. While the hydrodynamic paradigm for understanding collisions at RHIC is well established, there remain many important open questions to address in order to understand its relevance and scope. It is also a crucial issue to understand how the early equilibration is achieved, requiring insight into the active degrees of freedom at early times.
Date: July 3, 2006
Partner: UNT Libraries Government Documents Department

Three Dimensional Laser Cooling of Stored and Circulating Ion Beams by Means of a Coupling Cavity

Description: It is shown, theoretically, that a coupling cavity; namely an rf cavity operating in the TM{sup 210} mode, when inserted in a storage ring will enhance the coupling between longitudinal and transverse degrees of freedom. As a result, it is shown that the demonstrated very effective laser cooling of the longitudinal motion, can now be extended to transverse motion; i.e., employed to cool a beam in all three directions.
Date: February 1, 1994
Creator: Okamoto, H.; Sessler, Andrew M. & Mohl, D.
Partner: UNT Libraries Government Documents Department

Electronically Nonadiabatic Dynamics via Semiclassical Initial Value Methods

Description: In the late 1970's Meyer and Miller (MM) [J. Chem. Phys. 70, 3214 (1979)] presented a classical Hamiltonian corresponding to a finite set of electronic states of a molecular system (i.e., the various potential energy surfaces and their couplings), so that classical trajectory simulations could be carried out treating the nuclear and electronic degrees of freedom (DOF) in an equivalent dynamical framework (i.e., by classical mechanics), thereby describing non-adiabatic dynamics in a more unified manner. Much later Stock and Thoss (ST) [Phys. Rev. Lett. 78, 578 (1997)] showed that the MM model is actually not a 'model', but rather a 'representation' of the nuclear-electronic system; i.e., were the MMST nuclear-electronic Hamiltonian taken as a Hamiltonian operator and used in the Schroedinger equation, the exact (quantum) nuclear-electronic dynamics would be obtained. In recent years various initial value representations (IVRs) of semiclassical (SC) theory have been used with the MMST Hamiltonian to describe electronically non-adiabatic processes. Of special interest is the fact that though the classical trajectories generated by the MMST Hamiltonian (and which are the 'input' for an SC-IVR treatment) are 'Ehrenfest trajectories', when they are used within the SC-IVR framework the nuclear motion emerges from regions of non-adiabaticity on one potential energy surface (PES) or another, and not on an average PES as in the traditional Ehrenfest model. Examples are presented to illustrate and (hopefully) illuminate this behavior.
Date: December 11, 2008
Creator: Miller, William H.
Partner: UNT Libraries Government Documents Department

Twiss parameters and beam matrix formulation of generalized Courant-Snyder theory for coupled transverse beam dynamics

Description: Courant-Snyder (CS) theory for one degree of freedom has recently been generalized by Qin and Davidson to the case of coupled transverse dynamics with two degrees of freedom. The generalized theory has four basic components of the original CS theory, i.e., the envelope equation, phase advance, transfer matrix, and the CS invariant, all of which have their counterparts in the original CS theory with remarkably similar expressions and physical meanings. In this brief communication, we further extend this remarkable similarity between the original and generalized CS theories and construct the Twiss parameters and beam matrix in generalized forms for the case of a strong coupling system.
Date: July 1, 2010
Creator: Chung, Moses; /Fermilab; Qin, Hong; Davidson, Ronald C. & /Princeton U., Plasma Physics Lab.
Partner: UNT Libraries Government Documents Department

Optimal dynamic performance for high-precision actuators/stages.

Description: System dynamic performance of actuator/stage groups, such as those found in optical instrument positioning systems and other high-precision applications, is dependent upon both individual component behavior and the system configuration. Experimental modal analysis techniques were implemented to determine the six degree of freedom stiffnesses and damping for individual actuator components. These experimental data were then used in a multibody dynamic computer model to investigate the effect of stage group configuration. Running the computer model through the possible stage configurations and observing the predicted vibratory response determined the optimal stage group configuration. Configuration optimization can be performed for any group of stages, provided there is stiffness and damping data available for the constituent pieces.
Date: July 3, 2002
Creator: Preissner, C.; Lee, S.-H.; Royston, T. J. & Shu, D.
Partner: UNT Libraries Government Documents Department

Population dynamics of minimally cognitive individuals. Part I: Introducing knowledge into the dynamics

Description: The author presents a new approach for modeling the dynamics of collections of objects with internal structure. Based on the fact that the behavior of an individual in a population is modified by its knowledge of other individuals, a procedure for accounting for knowledge in a population of interacting objects is presented. It is assumed that each object has partial (or complete) knowledge of some (or all) other objects in the population. The dynamical equations for the objects are then modified to include the effects of this pairwise knowledge. This procedure has the effect of projecting out what the population will do from the much larger space of what it could do, i.e., filtering or smoothing the dynamics by replacing the complex detailed physical model with an effective model that produces the behavior of interest. The procedure therefore provides a minimalist approach for obtaining emergent collective behavior. The use of knowledge as a dynamical quantity, and its relationship to statistical mechanics, thermodynamics, information theory, and cognition microstructure are discussed.
Date: July 1, 1995
Creator: Schmieder, R.W.
Partner: UNT Libraries Government Documents Department

Intermetallic alloys: patterns and complexity. Final technical report

Description: This report summarizes the research accomplishment of the P.I. and her collaborators. The major findings are (a) in the area of ordering in metallic alloys, the interplay between chemical and structural short-range order and (b) in the area of glassy dynamics in frustrated spin models. In the context of alloys, the development of a theoretical framework for incorporating the correlation between chemical and structural degrees of freedom has been a major accomplishment. The work on frustrated spin models has had a major impact on the understanding of the glass transition.
Date: November 7, 2001
Creator: Chakraborty, Bulbul
Partner: UNT Libraries Government Documents Department

Betatron motion with coupling of horizontal and vertical degrees of freedom

Description: The Courant-Snyder parameterization of one-dimensional linear betatron motion is generalized to two-dimensional coupled linear motion. To represent the 4 x 4 symplectic transfer matrix the following ten parameters were chosen: four beta-functions, four alpha-functions and two betatron phase advances which have a meaning similar to the Courant-Snyder parameterization. Such a parameterization works equally well for weak and strong coupling and can be useful for analysis of coupled betatron motion in circular accelerators as well as in transfer lines. Similarly, the transfer matrix, the bilinear form describing the phase space ellipsoid and the second order moments are related to the eigen-vectors. Corresponding equations can be useful in interpreting tracking results and experimental data.
Date: November 21, 2002
Creator: Bogacz, S. A. & Lebedev, V. A.
Partner: UNT Libraries Government Documents Department


Description: A brief review is given of the various self-field phenomena associated with the longitudinal motion of particles in storage rings. Although there are some high-intensity phenomena for which the coupling of longitudinal and transverse motion is essential, such as, for example, the headtail effect; the great majority of high-intensity phenomena primarily involve either longitudinal or transverse degrees of freedom. In this review, we restrict our attention to phenomena which are essentially longitudinal in nature. It is convenient to consider separately the behavior of unbunched (coasting) and bunched (external RF system in operation) beams. Detailed experimental information on coasting beams has been obtained on the ISR, on the (old) CERN electron model CESAR, and on electron ring accelerators. All high-energy electron storage rings have bunched beams and, of course, so do synchrotrons, so that there are a large number of sources of experimental information about the longitudinal motion of bunched beams.
Date: February 1, 1973
Creator: Sessler, Andrew M.
Partner: UNT Libraries Government Documents Department

Alternative approach to general coupled linear optics

Description: The Twiss parameters provide a convenient description of beam optics in uncoupled linear beamlines. For coupled beamlines, a variety of approaches are possible for describing the linear optics; here, we propose an approach and notation that naturally generalizes the familiar Twiss parameters to the coupled case in three degrees of freedom. Our approach is based on an eigensystem analysis of the matrix of second-order beam moments, or alternatively (in the case of a storage ring) on an eigensystem analysis of the linear single-turn map. The lattice functions that emerge from this approach have an interpretation that is conceptually very simple: in particular, the lattice functions directly relate the beam distribution in phase space to the invariant emittances. To emphasize the physical significance of the coupled lattice functions, we develop the theory from first principles, using only the assumption of linear symplectic transport. We also give some examples of the application of this approach, demonstrating its advantages of conceptual and notational simplicity.
Date: November 29, 2005
Creator: Wolski, Andrzej
Partner: UNT Libraries Government Documents Department

Alignment validation

Description: The four experiments, ALICE, ATLAS, CMS and LHCb are currently under constructionat CERN. They will study the products of proton-proton collisions at the Large Hadron Collider. All experiments are equipped with sophisticated tracking systems, unprecedented in size and complexity. Full exploitation of both the inner detector andthe muon system requires an accurate alignment of all detector elements. Alignmentinformation is deduced from dedicated hardware alignment systems and the reconstruction of charged particles. However, the system is degenerate which means the data is insufficient to constrain all alignment degrees of freedom, so the techniques are prone to converging on wrong geometries. This deficiency necessitates validation and monitoring of the alignment. An exhaustive discussion of means to validate is subject to this document, including examples and plans from all four LHC experiments, as well as other high energy experiments.
Date: September 6, 2008
Creator: ALICE; ATLAS; CMS; LHCb & Golling, Tobias
Partner: UNT Libraries Government Documents Department

Subpicosecond electron bunch train production using a phase-space exchange technique

Description: Our recent experimental demonstration of a photoinjector electron bunch train with sub-picosecond structures is reported in this paper. The experiment is accomplished by converting an initially horizontal beam intensity modulation into a longitudinal phase space modulation, via a beamline capable of exchanging phase-space coordinates between the horizontal and longitudinal degrees of freedom. The initial transverse modulation is produced by intercepting the beam with a multislit mask prior to the exchange. We also compare our experimental results with numerical simulations.
Date: March 1, 2011
Creator: Sun, Y.-E.; /Fermilab; Piot, P.; U., /Fermilab /Northern Illinois; Johnson, A.S.; Lumpkin, A.H. et al.
Partner: UNT Libraries Government Documents Department

Mirror Sub-Assembly End-Effector Design

Description: The Optic Assembly Building (OAB) is a facility where large optical mirror units are assembled and installed into Line Replaceable Units (LRUs) for deployment into the National Ignition Facility (NIF) laser system. The New Optics Insertion Device (NOID) is a powered jib crane specially designed to handle large optical assemblies. The NOID arm has three degrees of freedom. it can rotate about the vertical boom, travel up and down the boom, and extend away from and retract in towards the boom. The NOID is used to assist in the assembly of five types of Laser Mirror (LM) LRUs. These five LMs have been creatively named, LM4, LM5, LM6, LM7, and LM8. The LM4 and LM5 LRUs each contain four Mirror Sub-Assemblies (MSAs). The LM6, LM7, and LM8 LRUs each contain 2 MSAs. The MSAs are assembled apart from the LRU and are then installed in the LRU at the LM4-8 workstations. An MSA NOID End-Effector is required to interface with the MSAs and install them into the LRUs. The End-Effector must attach to the robo-hand on the end of the NOID arm. At the time the MSA NOID End-Effector was being designed the NOID, the LM4-5 workstation, and the LM6-8 workstation were already installed in the OAB. The LRUs and the MSAs designs were also complete. The MSA NOID End-Effector design had to work with the assembly equipment and LRU designs that were already in place.
Date: January 8, 2007
Creator: Butlin, B
Partner: UNT Libraries Government Documents Department

Shell Element Verification & Regression Problems for DYNA3D

Description: A series of quasi-static regression/verification problems were developed for the triangular and quadrilateral shell element formulations contained in Lawrence Livermore National Laboratory's explicit finite element program DYNA3D. Each regression problem imposes both displacement- and force-type boundary conditions to probe the five independent nodal degrees of freedom employed in the targeted formulation. When applicable, the finite element results are compared with small-strain linear-elastic closed-form reference solutions to verify select aspects of the formulations implementation. Although all problems in the suite depict the same geometry, material behavior, and loading conditions, each problem represents a unique combination of shell formulation, stabilization method, and integration rule. Collectively, the thirty-six new regression problems in the test suite cover nine different shell formulations, three hourglass stabilization methods, and three families of through-thickness integration rules.
Date: February 1, 2008
Creator: Zywicz, E
Partner: UNT Libraries Government Documents Department

Simplified Unitarity Triangles for the Lepton Sector

Description: Encouraged by the latest SNO results, we consider the lepton mixing matrix in the approximation that the {nu}{sub 2} mass eigenstate is trimaximally (democratically) mixed. This suggests a new parameterization of the remaining mixing degrees of freedom, which eschews mixing angles, dealing instead, directly with the complex parameter U{sub e3} of the mixing matrix. Unitarity triangles then take a particularly simple form, which we hope will facilitate comparison with experiment.
Date: January 18, 2006
Creator: Bjorken, James D.; /SLAC; Harrison, P.F.; U., /Warwick; Scott, W.G. & /Rutherford
Partner: UNT Libraries Government Documents Department

Anomalous diffusion and scaling in coupled stochastic processes

Description: Inspired by problems in biochemical kinetics, we study statistical properties of an overdamped Langevin processes with the friction coefficient depending on the state of a similar, unobserved, process. Integrating out the latter, we derive the Pocker-Planck the friction coefficient of the first depends on the state of the second. Integrating out the latter, we derive the Focker-Planck equation for the probability distribution of the former. This has the fonn of diffusion equation with time-dependent diffusion coefficient, resulting in an anomalous diffusion. The diffusion exponent can not be predicted using a simple scaling argument, and anomalous scaling appears as well. The diffusion exponent of the Weiss-Havlin comb model is derived as a special case, and the same exponent holds even for weakly coupled processes. We compare our theoretical predictions with numerical simulations and find an excellent agreement. The findings caution against treating biochemical systems with unobserved dynamical degrees of freedom by means of standandard, diffusive Langevin descritpion.
Date: January 1, 2009
Creator: Bel, Golan & Nemenman, Ilya
Partner: UNT Libraries Government Documents Department

Complex biological and bio-inspired systems

Description: The understanding and characterization ofthe fundamental processes of the function of biological systems underpins many of the important challenges facing American society, from the pathology of infectious disease and the efficacy ofvaccines, to the development of materials that mimic biological functionality and deliver exceptional and novel structural and dynamic properties. These problems are fundamentally complex, involving many interacting components and poorly understood bio-chemical kinetics. We use the basic science of statistical physics, kinetic theory, cellular bio-chemistry, soft-matter physics, and information science to develop cell level models and explore the use ofbiomimetic materials. This project seeks to determine how cell level processes, such as response to mechanical stresses, chemical constituents and related gradients, and other cell signaling mechanisms, integrate and combine to create a functioning organism. The research focuses on the basic physical processes that take place at different levels ofthe biological organism: the basic role of molecular and chemical interactions are investigated, the dynamics of the DNA-molecule and its phylogenetic role are examined and the regulatory networks of complex biochemical processes are modeled. These efforts may lead to early warning algorithms ofpathogen outbreaks, new bio-sensors to detect hazards from pathomic viruses to chemical contaminants. Other potential applications include the development of efficient bio-fuel alternative-energy processes and the exploration ofnovel materials for energy usages. Finally, we use the notion of 'coarse-graining,' which is a method for averaging over less important degrees of freedom to develop computational models to predict cell function and systems-level response to disease, chemical stress, or biological pathomic agents. This project supports Energy Security, Threat Reduction, and the missions of the DOE Office of Science through its efforts to accurately model biological systems at the molecular and cellular level. The project's impact encompasses applications to biofuels, to novel sensors and to materials with broad use for energy or ...
Date: January 1, 2009
Creator: Ecke, Robert E
Partner: UNT Libraries Government Documents Department

On Some Versions of the Element Agglomeration AMGe Method

Description: The present paper deals with element-based AMG methods that target linear systems of equations coming from finite element discretizations of elliptic PDEs. The individual element information (element matrices and element topology) is the main input to construct the AMG hierarchy. We study a number of variants of the spectral agglomerate element based AMG method. The core of the algorithms relies on element agglomeration utilizing the element topology (built recursively from fine to coarse levels). The actual selection of the coarse degrees of freedom (dofs) is based on solving large number of local eigenvalue problems. Additionally, we investigate strategies for adaptive AMG as well as multigrid cycles that are more expensive than the V-cycle utilizing simple interpolation matrices and nested conjugate gradient (CG) based recursive calls between the levels. The presented algorithms are illustrated with an extensive set of experiments based on a matlab implementation of the methods.
Date: August 9, 2007
Creator: Lashuk, I & Vassilevski, P
Partner: UNT Libraries Government Documents Department

Multiscale Characterization of bcc Crystals Deformed to Large Extents of Strain

Description: In an effort to help advance the predictive capability of LLNL's multiscale modeling program a new experimental technique has been developed to provide high fidelity data on metallic single crystals out to relatively large extents of strain. The technique uses a '6 Degrees of Freedom' testing apparatus in conjunction with a 3-D image correlation system. Utilizing this technique, a series of experiments have been performed that reveal unexpected behavior which cannot be explained using traditional crystal plasticity theory. In addition, analysis and characterization techniques have also been developed to help quantify the unexpected behavior. Interactions with multiscale modelers include the development of a possible mechanism that might explain the anomalous behavior, as well as the discovery of a new 4-node dislocation junction.
Date: February 20, 2007
Creator: Florando, J; LeBlanc, M; Lassila, D; Bulatov, V; Rhee, M; Arsenlis, A et al.
Partner: UNT Libraries Government Documents Department

Control volume finite element method with multidimensional edge element Scharfetter-Gummel upwinding. Part 1, formulation.

Description: We develop a new formulation of the Control Volume Finite Element Method (CVFEM) with a multidimensional Scharfetter-Gummel (SG) upwinding for the drift-diffusion equations. The formulation uses standard nodal elements for the concentrations and expands the flux in terms of the lowest-order Nedelec H(curl; {Omega})-compatible finite element basis. The SG formula is applied to the edges of the elements to express the Nedelec element degree of freedom on this edge in terms of the nodal degrees of freedom associated with the endpoints of the edge. The resulting upwind flux incorporates the upwind effects from all edges and is defined at the interior of the element. This allows for accurate evaluation of integrals on the boundaries of the control volumes for arbitrary quadrilateral elements. The new formulation admits efficient implementation through a standard loop over the elements in the mesh followed by loops over the element nodes (associated with control volume fractions in the element) and element edges (associated with flux degrees of freedom). The quantities required for the SG formula can be precomputed and stored for each edge in the mesh for additional efficiency gains. For clarity the details are presented for two-dimensional quadrilateral grids. Extension to other element shapes and three dimensions is straightforward.
Date: June 1, 2011
Creator: Bochev, Pavel Blagoveston
Partner: UNT Libraries Government Documents Department

Confinement and flavor symmetry breaking via monopolecondensation

Description: We discuss dynamics of N=2 supersymmetric SU(n_c) gaugetheories with n_f quark hypermultiplets. Upon N=1 perturbation ofintroducing a finite mass for the adjoint chiral multiplet, we show thatthe flavor U(n_f) symmetry is dynamically broken to U(r) times U(n_f-r),where r\leq [n_f/2]is an integer. This flavor symmetry breaking occursdue to the condensates of magnetic degrees of freedom which acquireflavor quantum numbers due to the quark zero modes. We briefly comment onthe USp(2n_c) gauge theories. This talk is based on works with GiuseppeCarlino and Ken Konishi, hep-th/0001036 and hep-th/0005076.
Date: September 19, 2000
Creator: Murayama, Hitoshi
Partner: UNT Libraries Government Documents Department