National Library of Energy BETA

Sample records for 3d ice-lattice structures

  1. Numerical integration of structural elements in NIKE3D and DYNA3D

    SciTech Connect (OSTI)

    Maker, B.N.; Whirley, R.G.; Engelmann, B.E.

    1992-08-05

    The beam and shell elements found in many linear elastic finite element codes accept integrated cross sectional properties as input, and produce solutions using classical beam and shell theory. These theories are built upon the equation of resultant forces and moments with integrals of assumed stress distributions over the cross section. In contrast, the structural elements in NIKE3D and DYNA3D are formulated to represent nonlinear geometric and material behavior. Thus stress distributions may not necessarily be representable by simple functions of cross section variables. In NIKE3D and DYNA3D, the Hughes-Liu beam element and all shell elements accommodate these more general stress distributions by computing stresses at various points in the cross section. The integration of stresses within each element is then performed numerically, using a variety of methods. This report describes these numerical integration procedures in detail, and highlights their application to engineering problems. Several other features of the structural elements are also described, including force and moment resultants, user-defined reference surfaces, and user-defined integration rules. Finally, the shear correction factor is described in a section which relates results from NIKE3D and DYNA3D to those obtained from classical beam theory.

  2. A Novel Approach for Introducing 3D Cloud Spatial Structure

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Novel Approach for Introducing 3D Cloud Spatial Structure Into 1D Radiative Transfer For original submission and image(s), see ARM Research Highlights http:www.arm.govscience...

  3. Advancements in 3D Structural Analysis of Geothermal Systems

    SciTech Connect (OSTI)

    Siler, Drew L; Faulds, James E; Mayhew, Brett; McNamara, David

    2013-06-23

    Robust geothermal activity in the Great Basin, USA is a product of both anomalously high regional heat flow and active fault-controlled extension. Elevated permeability associated with some fault systems provides pathways for circulation of geothermal fluids. Constraining the local-scale 3D geometry of these structures and their roles as fluid flow conduits is crucial in order to mitigate both the costs and risks of geothermal exploration and to identify blind (no surface expression) geothermal resources. Ongoing studies have indicated that much of the robust geothermal activity in the Great Basin is associated with high density faulting at structurally complex fault intersection/interaction areas, such as accommodation/transfer zones between discrete fault systems, step-overs or relay ramps in fault systems, intersection zones between faults with different strikes or different senses of slip, and horse-tailing fault terminations. These conceptualized models are crucial for locating and characterizing geothermal systems in a regional context. At the local scale, however, pinpointing drilling targets and characterizing resource potential within known or probable geothermal areas requires precise 3D characterization of the system. Employing a variety of surface and subsurface data sets, we have conducted detailed 3D geologic analyses of two Great Basin geothermal systems. Using EarthVision (Dynamic Graphics Inc., Alameda, CA) we constructed 3D geologic models of both the actively producing Brady’s geothermal system and a ‘greenfield’ geothermal prospect at Astor Pass, NV. These 3D models allow spatial comparison of disparate data sets in 3D and are the basis for quantitative structural analyses that can aid geothermal resource assessment and be used to pinpoint discrete drilling targets. The relatively abundant data set at Brady’s, ~80 km NE of Reno, NV, includes 24 wells with lithologies interpreted from careful analysis of cuttings and core, a 1

  4. Automating the determination of 3D protein structure

    SciTech Connect (OSTI)

    Rayl, K.D.

    1993-12-31

    The creation of an automated method for determining 3D protein structure would be invaluable to the field of biology and presents an interesting challenge to computer science. Unfortunately, given the current level of protein knowledge, a completely automated solution method is not yet feasible, therefore, our group has decided to integrate existing databases and theories to create a software system that assists X-ray crystallographers in specifying a particular protein structure. By breaking the problem of determining overall protein structure into small subproblems, we hope to come closer to solving a novel structure by solving each component. By generating necessary information for structure determination, this method provides the first step toward designing a program to determine protein conformation automatically.

  5. 3D Imaging with Structured Illumination for Advanced Security Applications

    SciTech Connect (OSTI)

    Birch, Gabriel Carisle; Dagel, Amber Lynn; Kast, Brian A.; Smith, Collin S.

    2015-09-01

    Three-dimensional (3D) information in a physical security system is a highly useful dis- criminator. The two-dimensional data from an imaging systems fails to provide target dis- tance and three-dimensional motion vector, which can be used to reduce nuisance alarm rates and increase system effectiveness. However, 3D imaging devices designed primarily for use in physical security systems are uncommon. This report discusses an architecture favorable to physical security systems; an inexpensive snapshot 3D imaging system utilizing a simple illumination system. The method of acquiring 3D data, tests to understand illumination de- sign, and software modifications possible to maximize information gathering capability are discussed.

  6. Delineation of nuclear structures in 3D multicellular systems

    Energy Science and Technology Software Center (OSTI)

    2013-09-13

    A pipeline, implemented within the Insight Segmentation and Registration Toolkit (ITK) and The Visualization Toolkit (VTK) framework, to delineate each nucleus and to profile morphometric and colony organization. At an abstract level, our approach is an extension of a previously developed method for monolayer call structure models.

  7. Code System for Analysis of 3-D Reinforced Concrete Structures.

    Energy Science and Technology Software Center (OSTI)

    1999-11-22

    Version 00 NONSAP-C is a finite element program for determining the static and dynamic response of three-dimensional reinforced concrete structures. Long-term, or creep, behavior of concrete structures can also be analyzed. Nonlinear constitutive relations for concrete under short-term loads are incorporated in two time-independent models, a variable-modulus approach with orthotropic behavior induced in the concrete due to the development of different tangent moduli in different directions and an elastic-plastic model in which the concrete ismore » assumed to be a continuous, isotropic, and linearly elastic-plastic strain-hardening-fracture material. A viscoelastic constitutive model for long-term thermal creep of concrete is included. Three-dimensional finite elements available in NONSAP-C include a truss element, a multinode tendon element for prestressed and post tensioned concrete structures, an elastic-plastic membrane element to represent the behavior of cavity liners, and a general isoparametric element with a variable number of nodes for analysis of solids and thick shells.« less

  8. Accurate Band-Structure Calculations for the 3d Transition Metal Oxides

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    has developed a method to calculate accurate band structures and bandgap energies for 3d transition metal oxides using an augmented GW formalism. Significance and Impact This approach provides a computationally viable route for high-throughput prediction of band structures and optical properties in transition metal compounds. Accurate Band-Structure Calculations for the 3d Transition Metal Oxides S. Lany, Phys. Rev. B 87, 085112 (2013). Density of states (DOS) and absorption spectrum, shown for

  9. A 3D Magnetic Structure Of Izu-Oshima Volcano And Their Changes...

    Open Energy Info (EERE)

    data show that the volcanic edifice of Izu-Oshima Volcano has a mean magnetization intensity ranging from 10.4 to 12.1 Am. The derived 3D magnetic structure shows low...

  10. 3-D seismic velocity and attenuation structures in the geothermal field

    SciTech Connect (OSTI)

    Nugraha, Andri Dian [Global Geophysics Research Group, Faculty of Mining and Petroleum Engineering, Institute of Technology Bandung, Jalan Ganesha No. 10 Bandung, 40132 (Indonesia)] [Global Geophysics Research Group, Faculty of Mining and Petroleum Engineering, Institute of Technology Bandung, Jalan Ganesha No. 10 Bandung, 40132 (Indonesia); Syahputra, Ahmad [Geophyisical Engineering, Faculty of Mining and Petroleum Engineering, Institute of Technology Bandung, Jalan Ganesha No. 10 Bandung, 40132 (Indonesia)] [Geophyisical Engineering, Faculty of Mining and Petroleum Engineering, Institute of Technology Bandung, Jalan Ganesha No. 10 Bandung, 40132 (Indonesia); Fatkhan,; Sule, Rachmat [Applied Geophysics Research Group, Faculty of Mining and Petroleum Engineering, Institute of Technology Bandung, Jalan Ganesha No. 10 Bandung, 40132 (Indonesia)] [Applied Geophysics Research Group, Faculty of Mining and Petroleum Engineering, Institute of Technology Bandung, Jalan Ganesha No. 10 Bandung, 40132 (Indonesia)

    2013-09-09

    We conducted delay time tomography to determine 3-D seismic velocity structures (Vp, Vs, and Vp/Vs ratio) using micro-seismic events in the geothermal field. The P-and S-wave arrival times of these micro-seismic events have been used as input for the tomographic inversion. Our preliminary seismic velocity results show that the subsurface condition of geothermal field can be fairly delineated the characteristic of reservoir. We then extended our understanding of the subsurface physical properties through determining of attenuation structures (Qp, Qs, and Qs/Qp ratio) using micro-seismic waveform. We combined seismic velocities and attenuation structures to get much better interpretation of the reservoir characteristic. Our preliminary attanuation structures results show reservoir characterization can be more clearly by using the 3-D attenuation model of Qp, Qs, and Qs/Qp ratio combined with 3-D seismic velocity model of Vp, Vs, and Vp/Vs ratio.

  11. Local-global alignment for finding 3D similarities in protein structures

    DOE Patents [OSTI]

    Zemla, Adam T.

    2011-09-20

    A method of finding 3D similarities in protein structures of a first molecule and a second molecule. The method comprises providing preselected information regarding the first molecule and the second molecule. Comparing the first molecule and the second molecule using Longest Continuous Segments (LCS) analysis. Comparing the first molecule and the second molecule using Global Distance Test (GDT) analysis. Comparing the first molecule and the second molecule using Local Global Alignment Scoring function (LGA_S) analysis. Verifying constructed alignment and repeating the steps to find the regions of 3D similarities in protein structures.

  12. 3D structural fluctuation of IgG1 antibody revealed by individual particle electron tomography

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhang, Xing; Zhang, Lei; Tong, Huimin; Peng, Bo; Rames, Matthew J.; Zhang, Shengli; Ren, Gang

    2015-05-05

    Commonly used methods for determining protein structure, including X-ray crystallography and single-particle reconstruction, often provide a single and unique three-dimensional (3D) structure. However, in these methods, the protein dynamics and flexibility/fluctuation remain mostly unknown. Here, we utilized advances in electron tomography (ET) to study the antibody flexibility and fluctuation through structural determination of individual antibody particles rather than averaging multiple antibody particles together. Through individual-particle electron tomography (IPET) 3D reconstruction from negatively-stained ET images, we obtained 120 ab-initio 3D density maps at an intermediate resolution (~1–3 nm) from 120 individual IgG1 antibody particles. Using these maps as a constraint, wemore » derived 120 conformations of the antibody via structural flexible docking of the crystal structure to these maps by targeted molecular dynamics simulations. Statistical analysis of the various conformations disclosed the antibody 3D conformational flexibility through the distribution of its domain distances and orientations. This blueprint approach, if extended to other flexible proteins, may serve as a useful methodology towards understanding protein dynamics and functions.« less

  13. A New Way to Display the 3-D Structure of Molecules

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A New Way to Display the 3-D Structure of Molecules Researchers have created a sort of nanoscale display case that enables new atomic-scale views of hard-to-study chemical and biological samples. Their work could help to reveal new structural details for a range of challenging molecules, such as complex chemical compounds and potentially new drugs, by stabilizing them inside metal-organic frameworks (MOFs).

  14. DYNA3D (Nonlinear Dynamic Analysis of Structures in Three Dimensions) user's manual

    SciTech Connect (OSTI)

    Hallquist, J.O.

    1988-04-01

    This report provides an updated user's manual for DYNA3D, an explicit three-dimensional finite element code for analyzing the large deformation dynamic response of inelastic solids and structures. A contact-impact algorithm permits gaps and sliding along material interfaces with friction. By a specialization of this algorithm, such interfaces can be rigidly tied to admit variable zoning without the need of transition regions. Spatial discretization is achieved by the use of 8-node solid elements, 2-node beam elements, 4-node shell elements, 8-node solid shell elements, and rigid bodies. The equations-of-motion are integrated in time by the central difference method. DYNA3D contains twenty-eight material models and eleven equations of state to cover a wide range of material behavior. 56 refs., 46 figs.

  15. DYNA3D user's manual (nonlinear dynamic analysis of structures in three dimensions)

    SciTech Connect (OSTI)

    Hallquist, J.O.; Benson, D.J.

    1987-07-01

    This report provides an updated user's manual for DYNA3D, an explicit three-dimensional finite element code for analyzing the large deformation dynamic response of inelastic solids and structures. A contact-impact algorithm permits gaps and sliding along material interfaces with friction. By a specialization of this algorithm, such interfaces can be rigidly tied to admit variable zoning without the need of transition regions. Spatial discretization is achieved by the use of 8-node solid elements, 2-node beam elements, 4-node shell elements, 8-node solid shell elements, and rigid bodies. The equations-of-motion are integrated in time by the central difference method. DYNA3D contains twenty-five material models and eleven equations of state to cover a wide range of material behavior.

  16. DYNA3D user's manual: (Nonlinear dynamic analysis of structures in three dimensions): Revision 5

    SciTech Connect (OSTI)

    Hallquist, J.O.; Whirley, R.G.

    1989-05-01

    This report provides an updated user's manual for DYNA3D, an explicit three-dimensional finite element code for analyzing the large deformation response of inelastic solids and structures. A contact-impact algorithm permits gaps and sliding along material interfaces with friction. Using a specialization of this algorithm, such interfaces can be rigidly tied to admit variable zoning without the need of transition regions. Spatial discretization is achieved by the use of 8-node solid elements, 2-node beam elements, 4-node shell elements, 8-node solid shell elements, and rigid bodies. The equations-of-motion are integrated in time by the central difference method. The 1989 version of DYNA3D contains thirty material models and ten equations of state to cover a wide range of material behavior.

  17. DYNA3D user's manual (nonlinear dynamic analysis of structures in three dimensions). Revision 2

    SciTech Connect (OSTI)

    Hallquist, J.O.; Benson, D.J.

    1986-03-01

    The user's manual for DYNA3D, an explicit three-dimensional finite element code for analyzing the large deformation dynamic response of inelastic solids and structures is updated. A contact-impact algorithm permit gaps and sliding along material interfaces with friction. By a specialization of this algorithm, such interfaces can be rigidly tied to admit variable zoning without the need of transition regions. Spatial discretization is achieved by the use of 8-node solid elements, 2-node beam elements, 4-node shell elements, 8-node solid shell elements, and rigid bodies. The equations-of-motion are integrated in time by the central difference method. DYNA3D contains sixteen material models and nine equations of state to cover a wide range of material behavior. 40 refs., 43 figs.

  18. 3D NUCLEAR SEGMENTAT

    Energy Science and Technology Software Center (OSTI)

    003029WKSTN00 Delineation of nuclear structures in 3D multicellular systems https://vision.lbl.gov/Software/3DMorphometry/

  19. Monte Carlo generators for studies of the 3D structure of the nucleon

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Avakian, Harut; D'Alesio, U.; Murgia, F.

    2015-01-23

    In this study, extraction of transverse momentum and space distributions of partons from measurements of spin and azimuthal asymmetries requires development of a self consistent analysis framework, accounting for evolution effects, and allowing control of systematic uncertainties due to variations of input parameters and models. Development of realistic Monte-Carlo generators, accounting for TMD evolution effects, spin-orbit and quark-gluon correlations will be crucial for future studies of quark-gluon dynamics in general and 3D structure of the nucleon in particular.

  20. Performance analysis of high quality parallel preconditioners applied to 3D finite element structural analysis

    SciTech Connect (OSTI)

    Kolotilina, L.; Nikishin, A.; Yeremin, A.

    1994-12-31

    The solution of large systems of linear equations is a crucial bottleneck when performing 3D finite element analysis of structures. Also, in many cases the reliability and robustness of iterative solution strategies, and their efficiency when exploiting hardware resources, fully determine the scope of industrial applications which can be solved on a particular computer platform. This is especially true for modern vector/parallel supercomputers with large vector length and for modern massively parallel supercomputers. Preconditioned iterative methods have been successfully applied to industrial class finite element analysis of structures. The construction and application of high quality preconditioners constitutes a high percentage of the total solution time. Parallel implementation of high quality preconditioners on such architectures is a formidable challenge. Two common types of existing preconditioners are the implicit preconditioners and the explicit preconditioners. The implicit preconditioners (e.g. incomplete factorizations of several types) are generally high quality but require solution of lower and upper triangular systems of equations per iteration which are difficult to parallelize without deteriorating the convergence rate. The explicit type of preconditionings (e.g. polynomial preconditioners or Jacobi-like preconditioners) require sparse matrix-vector multiplications and can be parallelized but their preconditioning qualities are less than desirable. The authors present results of numerical experiments with Factorized Sparse Approximate Inverses (FSAI) for symmetric positive definite linear systems. These are high quality preconditioners that possess a large resource of parallelism by construction without increasing the serial complexity.

  1. DYNA3D: A nonlinear, explicit, three-dimensional finite element code for solid and structural mechanics

    SciTech Connect (OSTI)

    Whirley, R.G.

    1991-05-01

    This report is the User Manual for the 1991 version of DYNA3D, and also serves as an interim User Guide. DYNA3D is a nonlinear, explicit, finite element code for analyzing the transient dynamic response of three-dimensional solids and structures. The code is fully vectorized and is available on several computer platforms. DYNA3D includes solid, shell, beam, and truss elements to allow maximum flexibility in modeling physical problems. Many material models are available to represent a wide range of material behavior, including elasticity, plasticity, composites, thermal effects, and rate dependence. In addition, DYNA3D has a sophisticated contact interface capability, including frictional sliding and single surface contact. Rigid materials provide added modeling flexibility. A material model driver with interactive graphics display is incorporated into DYNA3D to permit accurate modeling of complex material response based on experimental data. Along with the DYNA3D Example Problem Manual, this document provides the information necessary to apply DYNA3D to solve a wide range of engineering analysis problems. 73 refs., 49 figs.

  2. Setting up boundary conditions for soil-structure interaction problems with DYNALK (a link from TENSOR to DYNA3D)

    SciTech Connect (OSTI)

    Thigpen, L.; Peterson, J.C.

    1983-08-01

    This report provides instructions on the use of the DYNALK computer program to generate boundary conditions for a soil island used in soil-structure interaction problems. DYNALK converts temporal motions from 2-D TENSOR calculations into appropriate three-dimensional boundary conditions for a DYNA3D soil-structure interaction problem. The program is operational on the CRAY-1 computer.

  3. A coarse-grained model with implicit salt for RNAs: Predicting 3D structure, stability and salt effect

    SciTech Connect (OSTI)

    Shi, Ya-Zhou; Wang, Feng-Hua; Wu, Yuan-Yan; Tan, Zhi-Jie

    2014-09-14

    To bridge the gap between the sequences and 3-dimensional (3D) structures of RNAs, some computational models have been proposed for predicting RNA 3D structures. However, the existed models seldom consider the conditions departing from the room/body temperature and high salt (1M NaCl), and thus generally hardly predict the thermodynamics and salt effect. In this study, we propose a coarse-grained model with implicit salt for RNAs to predict 3D structures, stability, and salt effect. Combined with Monte Carlo simulated annealing algorithm and a coarse-grained force field, the model folds 46 tested RNAs (?45 nt) including pseudoknots into their native-like structures from their sequences, with an overall mean RMSD of 3.5 and an overall minimum RMSD of 1.9 from the experimental structures. For 30 RNA hairpins, the present model also gives the reliable predictions for the stability and salt effect with the mean deviation ? 1.0 C of melting temperatures, as compared with the extensive experimental data. In addition, the model could provide the ensemble of possible 3D structures for a short RNA at a given temperature/salt condition.

  4. Wakefield Simulation of CLIC PETS Structure Using Parallel 3D Finite Element Time-Domain Solver T3P

    SciTech Connect (OSTI)

    Candel, A.; Kabel, A.; Lee, L.; Li, Z.; Ng, C.; Schussman, G.; Ko, K.; Syratchev, I.; /CERN

    2009-06-19

    In recent years, SLAC's Advanced Computations Department (ACD) has developed the parallel 3D Finite Element electromagnetic time-domain code T3P. Higher-order Finite Element methods on conformal unstructured meshes and massively parallel processing allow unprecedented simulation accuracy for wakefield computations and simulations of transient effects in realistic accelerator structures. Applications include simulation of wakefield damping in the Compact Linear Collider (CLIC) power extraction and transfer structure (PETS).

  5. Satellite and Surface Data Synergy for Developing a 3D Cloud Structure and Properties Characterization Over the ARM SGP. S...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Satellite and Surface Data Synergy for Developing a 3D Cloud Structure and Properties Characterization Over the ARM SGP Site Stage 1: Cloud Amounts, Optical Depths, and Cloud Heights Reconciliation I. Genkova and C. N. Long Pacific Northwest National Laboratory Richland, Washington P. W. Heck Analytical Services & Materials, Inc. Hampton, Virginia P. Minnis National Aeronautics and Space Administration Langley Research Center Hampton, Virginia Introduction One of the primary Atmospheric

  6. The 3D structure of the hadrons: recents results and experimental program at Jefferson Lab

    SciTech Connect (OSTI)

    Munoz Camacho, Carlos

    2014-04-01

    The understanding of Quantum Chromodynamics (QCD) at large distances still remains one of the main outstanding problems of nuclear physics. Studying the internal structure of hadrons provides a way to probe QCD in the non-perturbative domain and can help us unravel the internal structure of the most elementary blocks of matter. Jefferson Lab (JLab) has already delivered results on how elementary quarks and gluons create nucleon structure and properties. The upgrade of JLab to 12 GeV will allow the full exploration of the valence-quark structure of nucleons and the extraction of real threedimensional pictures. I will present recent results and review the future experimental program at JLab.

  7. Atomic-resolution 3D structure of amyloid β fibrils: The Osaka mutation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Schutz, Anne K.; Wall, Joseph; Vagt, Toni; Huber, Matthias; Ovchinnikova, Oxana Y.; Cadalbert, Riccardo; Guntert, Peter; Bockmann, Anja; Glockshuber, Rudi; Meier, Beat H.

    2014-11-13

    Despite its central importance for understanding the molecular basis of Alzheimer's disease (AD), high-resolution structural information on amyloid β-peptide (Aβ) fibrils, which are intimately linked with AD, is scarce. We report an atomic-resolution fibril structure of the Aβ 1-40 peptide with the Osaka mutation (E22Δ), associated with early-onset AD. The structure, which differs substantially from all previously proposed models, is based on a large number of unambiguous intra- and intermolecular solid-state NMR distance restraints

  8. Atomic-resolution 3D structure of amyloid ? fibrils: The Osaka mutation

    SciTech Connect (OSTI)

    Schutz, Anne K.; Wall, Joseph; Vagt, Toni; Huber, Matthias; Ovchinnikova, Oxana Y.; Cadalbert, Riccardo; Guntert, Peter; Bockmann, Anja; Glockshuber, Rudi; Meier, Beat H.

    2014-11-13

    Despite its central importance for understanding the molecular basis of Alzheimer's disease (AD), high-resolution structural information on amyloid ?-peptide (A?) fibrils, which are intimately linked with AD, is scarce. We report an atomic-resolution fibril structure of the A? 1-40 peptide with the Osaka mutation (E22?), associated with early-onset AD. The structure, which differs substantially from all previously proposed models, is based on a large number of unambiguous intra- and intermolecular solid-state NMR distance restraints

  9. STRUCTURE IN THE 3D GALAXY DISTRIBUTION. II. VOIDS AND WATERSHEDS OF LOCAL MAXIMA AND MINIMA

    SciTech Connect (OSTI)

    Way, M. J.; Gazis, P. R.; Scargle, Jeffrey D. E-mail: PGazis@sbcglobal.net

    2015-01-20

    The major uncertainties in studies of the multi-scale structure of the universe arise not from observational errors but from the variety of legitimate definitions and detection methods for individual structures. To facilitate the study of these methodological dependencies, we have carried out 12 different analyses defining structures in various ways. This has been done in a purely geometrical way by utilizing the HOP algorithm as a unique parameter-free method of assigning groups of galaxies to local density maxima or minima. From three density estimation techniques (smoothing kernels, Bayesian blocks, and self-organizing maps) applied to three data sets (the Sloan Digital Sky Survey Data Release 7, the Millennium simulation, and randomly distributed points) we tabulate information that can be used to construct catalogs of structures connected to local density maxima and minima. We also introduce a void finder that utilizes a method to assemble Delaunay tetrahedra into connected structures and characterizes regions empty of galaxies in the source catalog.

  10. 3-D photo-patterning of refractive index structures in photosensitive thin film materials

    DOE Patents [OSTI]

    Potter, Jr., Barrett George; Potter, Kelly Simmons

    2002-01-01

    A method of making a three-dimensional refractive index structure in a photosensitive material using photo-patterning. The wavelengths at which a photosensitive material exhibits a change in refractive index upon exposure to optical radiation is first determined and then a portion of the surface of the photosensitive material is optically irradiated at a wavelength at which the photosensitive material exhibits a change in refractive index using a designed illumination system to produce a three-dimensional refractive index structure. The illumination system can be a micro-lenslet array, a macroscopic refractive lens array, or a binary optic phase mask. The method is a single-step, direct-write procedure to produce a designed refractive index structure.

  11. Hydrogen adsorption and desorption with 3D silicon nanotube-network and film-network structures: Monte Carlo simulations

    SciTech Connect (OSTI)

    Li, Ming; Kang, Zhan; Huang, Xiaobo

    2015-08-28

    Hydrogen is clean, sustainable, and renewable, thus is viewed as promising energy carrier. However, its industrial utilization is greatly hampered by the lack of effective hydrogen storage and release method. Carbon nanotubes (CNTs) were viewed as one of the potential hydrogen containers, but it has been proved that pure CNTs cannot attain the desired target capacity of hydrogen storage. In this paper, we present a numerical study on the material-driven and structure-driven hydrogen adsorption of 3D silicon networks and propose a deformation-driven hydrogen desorption approach based on molecular simulations. Two types of 3D nanostructures, silicon nanotube-network (Si-NN) and silicon film-network (Si-FN), are first investigated in terms of hydrogen adsorption and desorption capacity with grand canonical Monte Carlo simulations. It is revealed that the hydrogen storage capacity is determined by the lithium doping ratio and geometrical parameters, and the maximum hydrogen uptake can be achieved by a 3D nanostructure with optimal configuration and doping ratio obtained through design optimization technique. For hydrogen desorption, a mechanical-deformation-driven-hydrogen-release approach is proposed. Compared with temperature/pressure change-induced hydrogen desorption method, the proposed approach is so effective that nearly complete hydrogen desorption can be achieved by Si-FN nanostructures under sufficient compression but without structural failure observed. The approach is also reversible since the mechanical deformation in Si-FN nanostructures can be elastically recovered, which suggests a good reusability. This study may shed light on the mechanism of hydrogen adsorption and desorption and thus provide useful guidance toward engineering design of microstructural hydrogen (or other gas) adsorption materials.

  12. Hydrothermal synthesis and characteristics of 3-D hydrated bismuth oxalate coordination polymers with open-channel structure

    SciTech Connect (OSTI)

    Chen Xinxiang; Cao Yanning; Zhang Hanhui Chen Yiping; Chen Xuehuan; Chai Xiaochuan

    2008-05-15

    Two new 3-D porous bismuth coordination polymers, (C{sub 5}NH{sub 6}){sub 2}[Bi{sub 2}(H{sub 2}O){sub 2}(C{sub 2}O{sub 4}){sub 4}].2H{sub 2}O 1 and (NH{sub 4})[Bi(C{sub 2}O{sub 4}){sub 2}].3H{sub 2}O 2, have been hydrothermally synthesized and characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the monoclinic symmetry, P2{sub 1}/c space group with a=10.378(2) A, b=17.285(3) A, c=16.563(5) A, {alpha}=90 deg., {beta}=119.66(2) deg., {gamma}=90 deg., V=2581.8(10) A{sup 3}, Z=4, R{sub 1}=0.0355 and wR{sub 2}=0.0658 for unique 4713 reflections I >2{sigma}(I). Compound 2 crystallizes in the tetragonal symmetry, I4{sub 1}/amd space group with a=11.7026(17) A, b=11.7026(17) A, c=9.2233(18) A, {alpha}=90 deg., {beta}=90 deg., {gamma}=90 deg., V=1263.1(4) A{sup 3}, Z=32, R{sub 1}=0.0208 and wR{sub 2}=0.0518 for unique 359 reflections I> 2{sigma}(I). Compounds 1 and 2 are 3-D open-framework structures with a 6{sup 6} uniform net, which consist of honeycomb-like layers connected to each other by oxalate units. While different guest molecules fill in their cavities of honeycomb-like layers, study of ultrasonic treatment on 2 indicates the replacement of NH{sub 4}{sup +} by K{sup +} on potassium ion exchange. Thermogravimetric analysis indicates that the open-channel frameworks are thermally stable up to 200 deg. C, and other characterizations are also described by elemental analysis, IR and ultraviolet-visible diffuse reflectionintegral spectrum (UV-Vis DRIS). - Graphical abstract: Two novel 3-D extended porous coordination polymers have been synthesized by hydrothermal method. Both compounds are 3-D open-framework structures with a 6{sup 6} uniform net, which consist of honeycomb-like layers connected to each other by oxalate units. While different guest molecules fill in their cavities of honeycomb-like layers. Study of ultrasonic treatment on 2 indicates the replacement of NH{sub 4}{sup +} by K{sup +} on potassium ion exchange.

  13. The Linearly Scaling 3D Fragment Method for Large Scale Electronic Structure Calculations

    SciTech Connect (OSTI)

    Zhao, Zhengji; Meza, Juan; Lee, Byounghak; Shan, Hongzhang; Strohmaier, Erich; Bailey, David; Wang, Lin-Wang

    2009-06-26

    The Linearly Scaling three-dimensional fragment (LS3DF) method is an O(N) ab initio electronic structure method for large-scale nano material simulations. It is a divide-and-conquer approach with a novel patching scheme that effectively cancels out the artificial boundary effects, which exist in all divide-and-conquer schemes. This method has made ab initio simulations of thousand-atom nanosystems feasible in a couple of hours, while retaining essentially the same accuracy as the direct calculation methods. The LS3DF method won the 2008 ACM Gordon Bell Prize for algorithm innovation. Our code has reached 442 Tflop/s running on 147,456 processors on the Cray XT5 (Jaguar) at OLCF, and has been run on 163,840 processors on the Blue Gene/P (Intrepid) at ALCF, and has been applied to a system containing 36,000 atoms. In this paper, we will present the recent parallel performance results of this code, and will apply the method to asymmetric CdSe/CdS core/shell nanorods, which have potential applications in electronic devices and solar cells.

  14. The linearly scaling 3D fragment method for large scale electronic structure calculations

    SciTech Connect (OSTI)

    Zhao, Zhengji; Meza, Juan; Lee, Byounghak; Shan, Hongzhang; Strohmaier, Erich; Bailey, David; Wang, Lin-Wang

    2009-07-28

    The Linearly Scaling three-dimensional fragment (LS3DF) method is an O(N) ab initio electronic structure method for large-scale nano material simulations. It is a divide-and-conquer approach with a novel patching scheme that effectively cancels out the artificial boundary effects, which exist in all divide-and-conquer schemes. This method has made ab initio simulations of thousand-atom nanosystems feasible in a couple of hours, while retaining essentially the same accuracy as the direct calculation methods. The LS3DF method won the 2008 ACM Gordon Bell Prize for algorithm innovation. Our code has reached 442 Tflop/s running on 147,456 processors on the Cray XT5 (Jaguar) at OLCF, and has been run on 163,840 processors on the Blue Gene/P (Intrepid) at ALCF, and has been applied to a system containing 36,000 atoms. In this paper, we will present the recent parallel performance results of this code, and will apply the method to asymmetric CdSe/CdS core/shell nanorods, which have potential applications in electronic devices and solar cells.

  15. DYNA3D: A nonlinear, explicit, three-dimensional finite element code for solid and structural mechanics, User manual. Revision 1

    SciTech Connect (OSTI)

    Whirley, R.G.; Engelmann, B.E.

    1993-11-01

    This report is the User Manual for the 1993 version of DYNA3D, and also serves as a User Guide. DYNA3D is a nonlinear, explicit, finite element code for analyzing the transient dynamic response of three-dimensional solids and structures. The code is fully vectorized and is available on several computer platforms. DYNA3D includes solid, shell, beam, and truss elements to allow maximum flexibility in modeling physical problems. Many material models are available to represent a wide range of material behavior, including elasticity, plasticity, composites, thermal effects, and rate dependence. In addition, DYNA3D has a sophisticated contact interface capability, including frictional sliding and single surface contact. Rigid materials provide added modeling flexibility. A material model driver with interactive graphics display is incorporated into DYNA3D to permit accurate modeling of complex material response based on experimental data. Along with the DYNA3D Example Problem Manual, this document provides the information necessary to apply DYNA3D to solve a wide range of engineering analysis problems.

  16. DYNA3D

    SciTech Connect (OSTI)

    Kennedy, T. )

    1989-05-01

    DYNA3D is an explicit, three-dimensional, finite element program for analyzing the large deformation dynamic response of inelastic solids and structures. DYNA3D contains 30 material models and 10 equations of state (EOS) to cover a wide range of material behavior. The material models implemented are: elastic, orthotropic elastic, kinematic/isotropic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, Blatz-Ko rubber, high explosive burn, hydrodynamic without deviatoric stresses, elastoplastic hydrodynamic, temperature-dependent elastoplastic, isotropic elastoplastic, isotropic elastoplastic with failure, soil and crushable foam with failure, Johnson/Cook plasticity model, pseudo TENSOR geological model, elastoplastic with fracture, power law isotropic plasticity, strain rate dependent plasticity, rigid, thermal orthotropic, composite damage model, thermal orthotropic with 12 curves, piecewise linear isotropic plasticity, inviscid two invariant geologic cap, orthotropic crushable model, Moonsy-Rivlin rubber, and resultant plasticity. The hydrodynamic material models determine only the deviatoric stresses. Pressure is determined by one of 10 equations of state including linear polynomial, JWL high explosive, Sack 'Tuesday' high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, tabulated, and TENSOR pore collapse. DYNA3D generates three binary output databases. One contains information for complete states at infrequent intervals; 50 to 100 states is typical. The second contains information for a subset of nodes and elements at frequent intervals; 1,000 to 10,000 states is typical. The last contains interface data for contact surfaces.

  17. DYNA3D96. Explicit 3-D Hydrodynamic FEM Program

    SciTech Connect (OSTI)

    Lin, J.

    1993-11-01

    DYNA3D is a nonlinear explicit finite element code for analyzing 3-D structures and solid continuum. The code is vectorized and available on several computer platforms. The element library includes continuum, shell, beam, truss and spring/damper elements to allow maximum flexibility in modeling physical problems. Many materials are available to represent a wide range of material behavior, including elasticity, plasticity, composites, thermal effects and rate dependence. In addition, DYNA3D has a sophisticated contact interface capability, including frictional sliding, single surface contact and automatic contact generation.

  18. 3D Rotation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    | Department of Energy 3D Printed Tool for Building Aircraft Achieves Guinness World Records Title 3D Printed Tool for Building Aircraft Achieves Guinness World Records Title August 30, 2016 - 2:07pm Addthis Official measurement of the 3D printed trim tool co-developed by Oak Ridge National Laboratory and The Boeing Company exceeded the required minimum size to achieve the Guinness World Records title of largest solid 3D printed item. Official measurement of the 3D printed trim tool

  19. Synthesis and structure of a 2D → 3D framework with coexistence of hydrogen bonds and polythreading character

    SciTech Connect (OSTI)

    Zhang, Ming-Dao Zhuang, Qi-Fan; Xu, Jing; Cao, Hui

    2015-12-15

    The title complex, ([Co(BPPA)(5-OH-bdc)] · (H{sub 2}O)){sub n} was prepared under hydrothermal conditions based on two ligands, namely, bis(4-(pyridin-4-yl)phenyl)amine (BPPA) and 5-hydroxyisophthalic acid (5-OH-H{sub 2}bdc). 5-OH-bdc{sup 2–} anions coordinated to Co atoms to give layers in crystal. BPPA ligands coordinate to Co atoms and thread into the adjacent layers. There are hydrogen bonds between adjacent layers, giving rise to a 2D → 3D framework.

  20. F3D

    Energy Science and Technology Software Center (OSTI)

    003188MLTPL00 F3D Image Processing and Analysis for Many - and Multi-core Platforms http://camera.lbl.gov/software

  1. Graphene's 3D Counterpart

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Graphene's 3D Counterpart Graphene's 3D Counterpart Print Monday, 21 July 2014 08:59 ALS researchers have discovered a material that is essentially a 3D version of graphene-the 2D sheets of carbon through which electrons race at many times the speed at which they move through silicon. The discovery promises exciting new things to come for the high--tech industry, including much faster transistors and far more compact hard drives. Researchers discovered that sodium bismuthide can exist as a form

  2. Graphene's 3D Counterpart

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Print ALS researchers have discovered a material that is essentially a 3D version of graphene-the 2D sheets of carbon through which electrons race at many times the speed at which...

  3. Graphene's 3D Counterpart

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    some exciting phenomena and applications of graphene in 3D materials-it also gives rise to many unusual properties. In addition to these unusual properties, the 3DTDS is the...

  4. Graphene's 3D Counterpart

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    can exist as a form of quantum matter called a three--dimensional topological Dirac semi--metal (3DTDS). This is the first experimental confirmation of 3D Dirac fermions...

  5. Nickelcobalt layered double hydroxide ultrathin nanoflakes decorated on graphene sheets with a 3D nanonetwork structure as supercapacitive materials

    SciTech Connect (OSTI)

    Yan, Tao; Li, Ruiyi; Li, Zaijun

    2014-03-01

    Graphical abstract: The microwave heating reflux approach was developed for the fabrication of nickelcobalt layered double hydroxide ultrathin nanoflakes decorated on graphene sheets, in which ammonia and ethanol were used as the precipitator and medium for the synthesis. The obtained composite shows a 3D flowerclusters morphology with nanonetwork structure and largely enhanced supercapacitive performance. - Highlights: The paper reported the microwave synthesis of nickelcobalt layered double hydroxide/graphene composite. The novel synthesis method is rapid, green, efficient and can be well used to the mass production. The as-synthesized composite offers a 3D flowerclusters morphology with nanonetwork structure. The composite offers excellent supercapacitive performance. This study provides a promising route to design and synthesis of advanced graphene-based materials with the superiorities of time-saving and cost-effective characteristics. - Abstract: The study reported a novel microwave heating reflux method for the fabrication of nickelcobalt layered double hydroxide ultrathin nanoflakes decorated on graphene sheets (GS/NiCo-LDH). Ammonia and ethanol were employed as precipitant and reaction medium for the synthesis, respectively. The resulting GS/NiCo-LDH offers a 3D flowerclusters morphology with nanonetwork structure. Due to the greatly enhanced rate of electron transfer and mass transport, the GS/NiCo-LDH electrode exhibits excellent supercapacitive performances. The maximum specific capacitance was found to be 1980.7 F g{sup ?1} at the current density of 1 A g{sup ?1}. The specific capacitance can remain 1274.7 F g{sup ?1} at the current density of 15 A g{sup ?1} and it has an increase of about 2.9% after 1500 cycles. Moreover, the study also provides a promising approach for the design and synthesis of metallic double hydroxides/graphene hybrid materials with time-saving and cost-effective characteristics, which can be potentially applied in

  6. RAG-3D: A search tool for RNA 3D substructures

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zahran, Mai; Sevim Bayrak, Cigdem; Elmetwaly, Shereef; Schlick, Tamar

    2015-08-24

    In this study, to address many challenges in RNA structure/function prediction, the characterization of RNA's modular architectural units is required. Using the RNA-As-Graphs (RAG) database, we have previously explored the existence of secondary structure (2D) submotifs within larger RNA structures. Here we present RAG-3D—a dataset of RNA tertiary (3D) structures and substructures plus a web-based search tool—designed to exploit graph representations of RNAs for the goal of searching for similar 3D structural fragments. The objects in RAG-3D consist of 3D structures translated into 3D graphs, cataloged based on the connectivity between their secondary structure elements. Each graph is additionally describedmore » in terms of its subgraph building blocks. The RAG-3D search tool then compares a query RNA 3D structure to those in the database to obtain structurally similar structures and substructures. This comparison reveals conserved 3D RNA features and thus may suggest functional connections. Though RNA search programs based on similarity in sequence, 2D, and/or 3D structural elements are available, our graph-based search tool may be advantageous for illuminating similarities that are not obvious; using motifs rather than sequence space also reduces search times considerably. Ultimately, such substructuring could be useful for RNA 3D structure prediction, structure/function inference and inverse folding.« less

  7. RAG-3D: A search tool for RNA 3D substructures

    SciTech Connect (OSTI)

    Zahran, Mai; Sevim Bayrak, Cigdem; Elmetwaly, Shereef; Schlick, Tamar

    2015-08-24

    In this study, to address many challenges in RNA structure/function prediction, the characterization of RNA's modular architectural units is required. Using the RNA-As-Graphs (RAG) database, we have previously explored the existence of secondary structure (2D) submotifs within larger RNA structures. Here we present RAG-3D—a dataset of RNA tertiary (3D) structures and substructures plus a web-based search tool—designed to exploit graph representations of RNAs for the goal of searching for similar 3D structural fragments. The objects in RAG-3D consist of 3D structures translated into 3D graphs, cataloged based on the connectivity between their secondary structure elements. Each graph is additionally described in terms of its subgraph building blocks. The RAG-3D search tool then compares a query RNA 3D structure to those in the database to obtain structurally similar structures and substructures. This comparison reveals conserved 3D RNA features and thus may suggest functional connections. Though RNA search programs based on similarity in sequence, 2D, and/or 3D structural elements are available, our graph-based search tool may be advantageous for illuminating similarities that are not obvious; using motifs rather than sequence space also reduces search times considerably. Ultimately, such substructuring could be useful for RNA 3D structure prediction, structure/function inference and inverse folding.

  8. Freezing and Melting of 3D Complex Plasma Structures under Microgravity Conditions Driven by Neutral Gas Pressure Manipulation

    SciTech Connect (OSTI)

    Khrapak, S. A.; Klumov, B. A.; Huber, P.; Thomas, H. M.; Ivlev, A. V.; Morfill, G. E.; Molotkov, V. I.; Lipaev, A. M.; Naumkin, V. N.; Petrov, O. F.; Fortov, V. E.; Malentschenko, Yu.; Volkov, S.

    2011-05-20

    Freezing and melting of large three-dimensional complex plasmas under microgravity conditions is investigated. The neutral gas pressure is used as a control parameter to trigger the phase changes: Complex plasma freezes (melts) by decreasing (increasing) the pressure. The evolution of complex plasma structural properties upon pressure variation is studied. Theoretical estimates allow us to identify the main factors responsible for the observed behavior.

  9. The effect of spatial micro-CT image resolution and surface complexity on the morphological 3D analysis of open porous structures

    SciTech Connect (OSTI)

    Pyka, Grzegorz; Kerckhofs, Greet

    2014-01-15

    In material science microfocus X-ray computed tomography (micro-CT) is one of the most popular non-destructive techniques to visualise and quantify the internal structure of materials in 3D. Despite constant system improvements, state-of-the-art micro-CT images can still hold several artefacts typical for X-ray CT imaging that hinder further image-based processing, structural and quantitative analysis. For example spatial resolution is crucial for an appropriate characterisation as the voxel size essentially influences the partial volume effect. However, defining the adequate image resolution is not a trivial aspect and understanding the correlation between scan parameters like voxel size and the structural properties is crucial for comprehensive material characterisation using micro-CT. Therefore, the objective of this study was to evaluate the influence of the spatial image resolution on the micro-CT based morphological analysis of three-dimensional (3D) open porous structures with a high surface complexity. In particular the correlation between the local surface properties and the accuracy of the micro-CT-based macro-morphology of 3D open porous Ti6Al4V structures produced by selective laser melting (SLM) was targeted and revealed for rough surfaces a strong dependence of the resulting structure characteristics on the scan resolution. Reducing the surface complexity by chemical etching decreased the sensitivity of the overall morphological analysis to the spatial image resolution and increased the detection limit. This study showed that scan settings and image processing parameters need to be customized to the material properties, morphological parameters under investigation and the desired final characteristics (in relation to the intended functional use). Customization of the scan resolution can increase the reliability of the micro-CT based analysis and at the same time reduce its operating costs. - Highlights: • We examine influence of the image resolution

  10. Graphene's 3D Counterpart

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Graphene's 3D Counterpart Print ALS researchers have discovered a material that is essentially a 3D version of graphene-the 2D sheets of carbon through which electrons race at many times the speed at which they move through silicon. The discovery promises exciting new things to come for the high--tech industry, including much faster transistors and far more compact hard drives. Researchers discovered that sodium bismuthide can exist as a form of quantum matter called a three--dimensional

  11. Graphene's 3D Counterpart

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Graphene's 3D Counterpart Print ALS researchers have discovered a material that is essentially a 3D version of graphene-the 2D sheets of carbon through which electrons race at many times the speed at which they move through silicon. The discovery promises exciting new things to come for the high--tech industry, including much faster transistors and far more compact hard drives. Researchers discovered that sodium bismuthide can exist as a form of quantum matter called a three--dimensional

  12. Graphene's 3D Counterpart

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Graphene's 3D Counterpart Print ALS researchers have discovered a material that is essentially a 3D version of graphene-the 2D sheets of carbon through which electrons race at many times the speed at which they move through silicon. The discovery promises exciting new things to come for the high--tech industry, including much faster transistors and far more compact hard drives. Researchers discovered that sodium bismuthide can exist as a form of quantum matter called a three--dimensional

  13. Graphene's 3D Counterpart

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Graphene's 3D Counterpart Print ALS researchers have discovered a material that is essentially a 3D version of graphene-the 2D sheets of carbon through which electrons race at many times the speed at which they move through silicon. The discovery promises exciting new things to come for the high--tech industry, including much faster transistors and far more compact hard drives. Researchers discovered that sodium bismuthide can exist as a form of quantum matter called a three--dimensional

  14. 3D Imaging of Nickel Oxidation States using Full Field X-ray Absorption Near Edge Structure Nanotomography

    SciTech Connect (OSTI)

    Nelson, George; Harris, William; Izzo, John; Grew, Kyle N.

    2012-01-20

    Reduction-oxidation (redox) cycling of the nickel electrocatalyst phase in the solid oxide fuel cell (SOFC) anode can lead to performance degradation and cell failure. A greater understanding of nickel redox mechanisms at the microstructural level is vital to future SOFC development. Transmission x-ray microscopy (TXM) provides several key techniques for exploring oxidation states within SOFC electrode microstructure. Specifically, x-ray nanotomography and x-ray absorption near edge structure (XANES) spectroscopy have been applied to study samples of varying nickel (Ni) and nickel oxide (NiO) compositions. The imaged samples are treated as mock SOFC anodes containing distinct regions of the materials in question. XANES spectra presented for the individual materials provide a basis for the further processing and analysis of mixed samples. Images of composite samples obtained are segmented, and the distinct nickel and nickel oxide phases are uniquely identified using full field XANES spectroscopy. Applications to SOFC analysis are discussed.

  15. Analysis of the rotational structure in the high-resolution infrared spectra of trans-hexatriene-2-d1 and -3-d1

    SciTech Connect (OSTI)

    Craig, Norman C.; Chen, Yihui; van Besien, Herman; Blake, Thomas A.

    2014-09-01

    The 2-d1 and 3-d1 isotopologues of trans-hexatriene have been synthesized, and their high-resolution (0.0015 cm-1) IR spectra have been recorded. For each of the isotopologues the rotational structure in four C-type bands for out-of-plane vibrational modes has been analyzed, and the ground state combination differences (GSCDs) have been pooled. Ground state rotational constants have been fitted to the GSCDs. For the 2-d species, A0, B0, and C0 values of 0.7837254(5), 0.0442806(3), and 0.0419299(2) cm-1 were fitted to 2450 GSCDs. For the 3-d species, A0, B0, and C0 values of 0.7952226(8), 0.0446149(7), and 0.0422661(4) cm-1 were fitted to 2234 GSCDs. For the eleven out-of-plane modes of the two isotopologues, predictions of anharmonic wavenumbers and harmonic intensities have been computed and compared with experiment where possible.

  16. Mapping strain gradients in the FIB-structured InGaN/GaN multilayered films with 3D x-ray microbeam.

    SciTech Connect (OSTI)

    Barabash, R. I.; Gao, Y. F.; Ice, G. E.; Barabash, O. M.; Chung, J.; Liu, W.; Lohmeyer, H.; Sebald, K.; Gutowski, J.; Bottcher, T.; Hommel, D.; Kroger, R.

    2010-11-25

    This research presents a combined experimental-modeling study of lattice rotations and deviatoric strain gradients induced by focused-ion beam (FIB) milling in nitride heterostructures. 3D X-ray polychromatic microdiffraction (PXM) is used to map the local lattice orientation distribution in FIB-structured areas. Results are discussed in connection with microphotoluminescence ({mu}-PL), fluorescent analysis, scanning electron microscopy (SEM) and transmission electron microscopy (TEM) data. It is demonstrated that FIB-milling causes both direct and indirect damage to the InGaN/GaN layers. In films subjected to direct ion beam impact, a narrow amorphidized top layer is formed. Near the milling area, FIB-induced stress relaxation and formation of complicated 3D strain fields are observed. The resulting lattice orientation changes are found to correlate with a decrease and/or loss of PL intensity, and agree well with finite element simulations of the three-dimensional strain fields near the relaxed trenches. Experimentally, it is found that the lattice surface normal has an in-plane rotation, which only appears in simulations when the GaN-substrate lattice mismatch annihilates the InGaN-substrate mismatch. This behavior further supports the notion that the film/substrate interface is incoherent.

  17. 3D Structures of Biomolecules

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    However, it is only applicable primarily to macromolecules in the lower molecular weight ... With the prospects of X-ray free electron lasers (X-FEL) (5, 6), the radiation damage ...

  18. A novel 3D structure composed of strings of hierarchical TiO{sub 2} spheres formed on TiO{sub 2} nanobelts with high photocatalytic properties

    SciTech Connect (OSTI)

    Jiang, Yongjian; Li, Meicheng; Song, Dandan; Li, Xiaodan; Yu, Yue

    2014-03-15

    A novel hierarchical titanium dioxide (TiO{sub 2}) composite nanostructure with strings of anatase TiO{sub 2} hierarchical micro-spheres and rutile nanobelts framework (TiO{sub 2} HSN) is successfully synthesized via a one-step hydrothermal method. Particularly, the strings of hierarchical spheres are assembled by very thin TiO{sub 2} nanosheets, which are composed of highly crystallized anatase nanocrystals. Meanwhile, the HSN has a large surface area of 191 m{sup 2}/g, which is about 3 times larger than Degussa P25. More importantly, the photocatalytic activity of HSN and P25 were evaluated by the photocatalytic oxidation decomposition of methyl orange (MO) under UV light illumination, and the TiO{sub 2} HSN shows enhanced photocatalytic activity compared with Degussa P25, as result of its continuous hierarchical structures, special conductive channel and large specific surface area. With these features, the hierarchical TiO{sub 2} may have more potential applications in the fields of dye-sensitized solar cells and lithium ion batteries. -- Graphical abstract: Novel TiO{sub 2} with anatase micro-spheres and rutile nanobelts is synthesized. Enhanced photocatalysis is attributed to hierarchical structures (3D spheres), conductive channel (1D nanobelts) and large specific surface area (2D nanosheet). Highlights: • The novel TiO{sub 2} nanostructure (HSN) is fabricated for the first time. • HSN is composed of strings of anatase hierarchical spheres and rutile nanobelt. • HSN presents a larger S{sub BET} of 191 m{sup 2}/g, 3 times larger than the Degussa P25 (59 m{sup 2}/g). • HSN owns three kinds of dimensional TiO{sub 2} (1D, 2D and 3D) simultaneously. • HSN exhibits better photocatalytic performance compared with Degussa P25.

  19. DYNA3D. Explicit 3-d Hydrodynamic FEM Program

    SciTech Connect (OSTI)

    Chu, R.; Amakai, M.; Lung, H.C.; Ishigai, T.

    1989-05-01

    DYNA3D is an explicit, three-dimensional, finite element program for analyzing the large deformation dynamic response of inelastic solids and structures. DYNA3D contains 30 material models and 10 equations of state (EOS) to cover a wide range of material behavior. The material models implemented are: elastic, orthotropic elastic, kinematic/isotropic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, Blatz-Ko rubber, high explosive burn, hydrodynamic without deviatoric stresses, elastoplastic hydrodynamic, temperature-dependent elastoplastic, isotropic elastoplastic, isotropic elastoplastic with failure, soil and crushable foam with failure, Johnson/Cook plasticity model, pseudo TENSOR geological model, elastoplastic with fracture, power law isotropic plasticity, strain rate dependent plasticity, rigid, thermal orthotropic, composite damage model, thermal orthotropic with 12 curves, piecewise linear isotropic plasticity, inviscid two invariant geologic cap, orthotropic crushable model, Moonsy-Rivlin rubber, resultant plasticity. The hydrodynamic material models determine only the deviatoric stresses. Pressure is determined by one of 10 equations of state including linear polynomial, JWL high explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, tabulated, and TENSOR pore collapse. DYNA3D generates three binary output databases. One contains information for complete states at infrequent intervals; 50 to 100 states is typical. The second contains information for a subset of nodes and elements at frequent intervals; 1,000 to 10,000 states is typical. The last contains interface data for contact surfaces.

  20. DYNA3D. Explicit 3-d Hydrodynamic FEM Program

    SciTech Connect (OSTI)

    Kennedy, T.

    1989-05-01

    DYNA3D is an explicit, three-dimensional, finite element program for analyzing the large deformation dynamic response of inelastic solids and structures. DYNA3D contains 30 material models and 10 equations of state (EOS) to cover a wide range of material behavior. The material models implemented are: elastic, orthotropic elastic, kinematic/isotropic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, Blatz-Ko rubber, high explosive burn, hydrodynamic without deviatoric stresses, elastoplastic hydrodynamic, temperature-dependent elastoplastic, isotropic elastoplastic, isotropic elastoplastic with failure, soil and crushable foam with failure, Johnson/Cook plasticity model, pseudo TENSOR geological model, elastoplastic with fracture, power law isotropic plasticity, strain rate dependent plasticity, rigid, thermal orthotropic, composite damage model, thermal orthotropic with 12 curves, piecewise linear isotropic plasticity, inviscid two invariant geologic cap, orthotropic crushable model, Moonsy-Rivlin rubber, and resultant plasticity. The hydrodynamic material models determine only the deviatoric stresses. Pressure is determined by one of 10 equations of state including linear polynomial, JWL high explosive, Sack `Tuesday` high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, tabulated, and TENSOR pore collapse. DYNA3D generates three binary output databases. One contains information for complete states at infrequent intervals; 50 to 100 states is typical. The second contains information for a subset of nodes and elements at frequent intervals; 1,000 to 10,000 states is typical. The last contains interface data for contact surfaces.

  1. Static & Dynamic Response of 3D Solids

    Energy Science and Technology Software Center (OSTI)

    1996-07-15

    NIKE3D is a large deformations 3D finite element code used to obtain the resulting displacements and stresses from multi-body static and dynamic structural thermo-mechanics problems with sliding interfaces. Many nonlinear and temperature dependent constitutive models are available.

  2. 3-D seismology in the Arabian Gulf

    SciTech Connect (OSTI)

    Al-Husseini, M.; Chimblo, R.

    1995-08-01

    Since 1977 when Aramco and GSI (Geophysical Services International) pioneered the first 3-D seismic survey in the Arabian Gulf, under the guidance of Aramco`s Chief Geophysicist John Hoke, 3-D seismology has been effectively used to map many complex subsurface geological phenomena. By the mid-1990s extensive 3-D surveys were acquired in Abu Dhabi, Oman, Qatar and Saudi Arabia. Also in the mid-1990`s Bahrain, Kuwait and Dubai were preparing to record surveys over their fields. On the structural side 3-D has refined seismic maps, focused faults and fractures systems, as well as outlined the distribution of facies, porosity and fluid saturation. In field development, 3D has not only reduced drilling costs significantly, but has also improved the understanding of fluid behavior in the reservoir. In Oman, Petroleum Development Oman (PDO) has now acquired the first Gulf 4-D seismic survey (time-lapse 3D survey) over the Yibal Field. The 4-D survey will allow PDO to directly monitor water encroachment in the highly-faulted Cretaceous Shu`aiba reservoir. In exploration, 3-D seismology has resolved complex prospects with structural and stratigraphic complications and reduced the risk in the selection of drilling locations. The many case studies from Saudi Arabia, Oman, Qatar and the United Arab Emirates, which are reviewed in this paper, attest to the effectiveness of 3D seismology in exploration and producing, in clastics and carbonates reservoirs, and in the Mesozoic and Paleozoic.

  3. 3-D Model for Deactivation & Decommissioning

    Broader source: Energy.gov [DOE]

    The design and production of 3-D scale models that replicate the highly contaminated structures within the nuclear facility would provide a significant improvement in visualization of the work...

  4. DYNA3D. Explicit 3-D Hydrodynamic FEM Program

    SciTech Connect (OSTI)

    Whirley, R.G.; Englemann, B.E.

    1993-11-01

    DYNA3D is an explicit, three-dimensional, finite element program for analyzing the large deformation dynamic response of inelastic solids and structures. DYNA3D contains 30 material models and 10 equations of state (EOS) to cover a wide range of material behavior. The material models implemented are: elastic, orthotropic elastic, kinematic/isotropic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, Blatz-Ko rubber, high explosive burn, hydrodynamic without deviatoric stresses, elastoplastic hydrodynamic, temperature-dependent elastoplastic, isotropic elastoplastic, isotropic elastoplastic with failure, soil and crushable foam with failure, Johnson/Cook plasticity model, pseudo TENSOR geological model, elastoplastic with fracture, power law isotropic plasticity, strain rate dependent plasticity, rigid, thermal orthotropic, composite damage model, thermal orthotropic with 12 curves, piecewise linear isotropic plasticity, inviscid two invariant geologic cap, orthotropic crushable model, Moonsy-Rivlin rubber, resultant plasticity, closed form update shell plasticity, and Frazer-Nash rubber model. The hydrodynamic material models determine only the deviatoric stresses. Pressure is determined by one of 10 equations of state including linear polynomial, JWL high explosive, Sack `Tuesday` high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, tabulated, and TENSOR pore collapse. DYNA3D generates three binary output databases. One contains information for complete states at infrequent intervals; 50 to 100 states is typical. The second contains information for a subset of nodes and elements at frequent intervals; 1,000 to 10,000 states is typical. The last contains interface data for contact surfaces.

  5. DYNA3D. Explicit 3-d Hydrodynamic FEM Program

    SciTech Connect (OSTI)

    Whirley, R.G.; Englemann, B.E.

    1993-11-01

    DYNA3D is an explicit, three-dimensional, finite element program for analyzing the large deformation dynamic response of inelastic solids and structures. DYNA3D contains 30 material models and 10 equations of state (EOS) to cover a wide range of material behavior. The material models implemented are: elastic, orthotropic elastic, kinematic/isotropic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, Blatz-Ko rubber, high explosive burn, hydrodynamic without deviatoric stresses, elastoplastic hydrodynamic, temperature-dependent elastoplastic, isotropic elastoplastic, isotropic elastoplastic with failure, soil and crushable foam with failure, Johnson/Cook plasticity model, pseudo TENSOR geological model, elastoplastic with fracture, power law isotropic plasticity, strain rate dependent plasticity, rigid, thermal orthotropic, composite damage model, thermal orthotropic with 12 curves, piecewise linear isotropic plasticity, inviscid two invariant geologic cap, orthotropic crushable model, Moonsy-Rivlin rubber, resultant plasticity, closed form update shell plasticity, and Frazer-Nash rubber model. The hydrodynamic material models determine only the deviatoric stresses. Pressure is determined by one of 10 equations of state including linear polynomial, JWL high explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, tabulated, and TENSOR pore collapse. DYNA3D generates three binary output databases. One contains information for complete states at infrequent intervals; 50 to 100 states is typical. The second contains information for a subset of nodes and elements at frequent intervals; 1,000 to 10,000 states is typical. The last contains interface data for contact surfaces.

  6. DYNA3D. Explicit 3-D Hydrodynamic FEM Program

    SciTech Connect (OSTI)

    Whirley, R.G.

    1989-05-01

    DYNA3D is an explicit, three-dimensional, finite element program for analyzing the large deformation dynamic response of inelastic solids and structures. DYNA3D contains 30 material models and 10 equations of state (EOS) to cover a wide range of material behavior. The material models implemented are: elastic, orthotropic elastic, kinematic/isotropic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, Blatz-Ko rubber, high explosive burn, hydrodynamic without deviatoric stresses, elastoplastic hydrodynamic, temperature-dependent elastoplastic, isotropic elastoplastic, isotropic elastoplastic with failure, soil and crushable foam with failure, Johnson/Cook plasticity model, pseudo TENSOR geological model, elastoplastic with fracture, power law isotropic plasticity, strain rate dependent plasticity, rigid, thermal orthotropic, composite damage model, thermal orthotropic with 12 curves, piecewise linear isotropic plasticity, inviscid two invariant geologic cap, orthotropic crushable model, Moonsy-Rivlin rubber, resultant plasticity, closed form update shell plasticity, and Frazer-Nash rubber model. The hydrodynamic material models determine only the deviatoric stresses. Pressure is determined by one of 10 equations of state including linear polynomial, JWL high explosive, Sack `Tuesday` high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, tabulated, and TENSOR pore collapse. DYNA3D generates three binary output databases. One contains information for complete states at infrequent intervals; 50 to 100 states is typical. The second contains information for a subset of nodes and elements at frequent intervals; 1,000 to 10,000 states is typical. The last contains interface data for contact surfaces.

  7. DYNA3D; Explicit 3-d Hydrodynamic FEM Program

    SciTech Connect (OSTI)

    Whirley, R.G.

    1989-05-01

    DYNA3D is an explicit, three-dimensional, finite element program for analyzing the large deformation dynamic response of inelastic solids and structures. DYNA3D contains 30 material models and 10 equations of state (EOS) to cover a wide range of material behavior. The material models implemented are: elastic, orthotropic elastic, kinematic/isotropic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, Blatz-Ko rubber, high explosive burn, hydrodynamic without deviatoric stresses, elastoplastic hydrodynamic, temperature-dependent elastoplastic, isotropic elastoplastic, isotropic elastoplastic with failure, soil and crushable foam with failure, Johnson/Cook plasticity model, pseudo TENSOR geological model, elastoplastic with fracture, power law isotropic plasticity, strain rate dependent plasticity, rigid, thermal orthotropic, composite damage model, thermal orthotropic with 12 curves, piecewise linear isotropic plasticity, inviscid two invariant geologic cap, orthotropic crushable model, Moonsy-Rivlin rubber, resultant plasticity, closed form update shell plasticity, and Frazer-Nash rubber model. The hydrodynamic material models determine only the deviatoric stresses. Pressure is determined by one of 10 equations of state including linear polynomial, JWL high explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, tabulated, and TENSOR pore collapse. DYNA3D generates three binary output databases. One contains information for complete states at infrequent intervals; 50 to 100 states is typical. The second contains information for a subset of nodes and elements at frequent intervals; 1,000 to 10,000 states is typical. The last contains interface data for contact surfaces.

  8. DYNA3D. Explicit 3-d Hydrodynamic FEM Program

    SciTech Connect (OSTI)

    Whirley, R.G.; Englemann, B.E. )

    1993-11-30

    DYNA3D is an explicit, three-dimensional, finite element program for analyzing the large deformation dynamic response of inelastic solids and structures. DYNA3D contains 30 material models and 10 equations of state (EOS) to cover a wide range of material behavior. The material models implemented are: elastic, orthotropic elastic, kinematic/isotropic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, Blatz-Ko rubber, high explosive burn, hydrodynamic without deviatoric stresses, elastoplastic hydrodynamic, temperature-dependent elastoplastic, isotropic elastoplastic, isotropic elastoplastic with failure, soil and crushable foam with failure, Johnson/Cook plasticity model, pseudo TENSOR geological model, elastoplastic with fracture, power law isotropic plasticity, strain rate dependent plasticity, rigid, thermal orthotropic, composite damage model, thermal orthotropic with 12 curves, piecewise linear isotropic plasticity, inviscid two invariant geologic cap, orthotropic crushable model, Moonsy-Rivlin rubber, resultant plasticity, closed form update shell plasticity, and Frazer-Nash rubber model. The hydrodynamic material models determine only the deviatoric stresses. Pressure is determined by one of 10 equations of state including linear polynomial, JWL high explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, tabulated, and TENSOR pore collapse. DYNA3D generates three binary output databases. One contains information for complete states at infrequent intervals; 50 to 100 states is typical. The second contains information for a subset of nodes and elements at frequent intervals; 1,000 to 10,000 states is typical. The last contains interface data for contact surfaces.

  9. DYNA3D. Explicit 3-D Hydrodynamic FEM Program

    SciTech Connect (OSTI)

    Whirley, R.G.

    1989-05-01

    DYNA3D is an explicit, three-dimensional, finite element program for analyzing the large deformation dynamic response of inelastic solids and structures. DYNA3D contains 30 material models and 10 equations of state (EOS) to cover a wide range of material behavior. The material models implemented are: elastic, orthotropic elastic, kinematic/isotropic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, Blatz-Ko rubber, high explosive burn, hydrodynamic without deviatoric stresses, elastoplastic hydrodynamic, temperature-dependent elastoplastic, isotropic elastoplastic, isotropic elastoplastic with failure, soil and crushable foam with failure, Johnson/Cook plasticity model, pseudo TENSOR geological model, elastoplastic with fracture, power law isotropic plasticity, strain rate dependent plasticity, rigid, thermal orthotropic, composite damage model, thermal orthotropic with 12 curves, piecewise linear isotropic plasticity, inviscid two invariant geologic cap, orthotropic crushable model, Moonsy-Rivlin rubber, resultant plasticity, closed form update shell plasticity, and Frazer-Nash rubber model. The hydrodynamic material models determine only the deviatoric stresses. Pressure is determined by one of 10 equations of state including linear polynomial, JWL high explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, tabulated, and TENSOR pore collapse. DYNA3D generates three binary output databases. One contains information for complete states at infrequent intervals; 50 to 100 states is typical. The second contains information for a subset of nodes and elements at frequent intervals; 1,000 to 10,000 states is typical. The last contains interface data for contact surfaces.

  10. Explicit 3-D Hydrodynamic FEM Program

    SciTech Connect (OSTI)

    2000-11-07

    DYNA3D is a nonlinear explicit finite element code for analyzing 3-D structures and solid continuum. The code is vectorized and available on several computer platforms. The element library includes continuum, shell, beam, truss and spring/damper elements to allow maximum flexibility in modeling physical problems. Many materials are available to represent a wide range of material behavior, including elasticity, plasticity, composites, thermal effects and rate dependence. In addition, DYNA3D has a sophisticated contact interface capability, including frictional sliding, single surface contact and automatic contact generation.

  11. Explicit 3-D Hydrodynamic FEM Program

    Energy Science and Technology Software Center (OSTI)

    2000-11-07

    DYNA3D is a nonlinear explicit finite element code for analyzing 3-D structures and solid continuum. The code is vectorized and available on several computer platforms. The element library includes continuum, shell, beam, truss and spring/damper elements to allow maximum flexibility in modeling physical problems. Many materials are available to represent a wide range of material behavior, including elasticity, plasticity, composites, thermal effects and rate dependence. In addition, DYNA3D has a sophisticated contact interface capability, includingmore » frictional sliding, single surface contact and automatic contact generation.« less

  12. LLNL-Earth3D

    Energy Science and Technology Software Center (OSTI)

    2013-10-01

    Earth3D is a computer code designed to allow fast calculation of seismic rays and travel times through a 3D model of the Earth. LLNL is using this for earthquake location and global tomography efforts and such codes are of great interest to the Earth Science community.

  13. 3D World Building System

    ScienceCinema (OSTI)

    None

    2014-02-26

    This video provides an overview of the Sandia National Laboratories developed 3-D World Model Building capability that provides users with an immersive, texture rich 3-D model of their environment in minutes using a laptop and color and depth camera.

  14. Electronic structure and 3d-4f exchange interactions in zircon-type RCrO{sub 4} oxides (R=Dy, Ho and Gd)

    SciTech Connect (OSTI)

    Ray, Avijeet Maitra, Tulika

    2015-06-24

    Using first principles density functional theory (DFT) calculations within GGA and GGA+U approximations we studied both ferromagnetic (FM) and antiferromagnetic (AFM) phases of zircon type RCrO{sub 4} (R= Dy, Ho, Gd) oxides. We estimated and compared the 3d-4f exchange interaction strengths J between the nearest neighbor R{sup 3+} and Cr{sup 5+} ions for R=Dy, Gd. Our results predict that DyCrO{sub 4}, GdCrO{sub 4} and HoCrO{sub 4} have ferromagnetic ground state which is consistent with experimental observations.

  15. Imaging atoms in 3-D

    ScienceCinema (OSTI)

    Ercius, Peter

    2014-06-27

    Berkeley Lab's Peter Ercius discusses "Imaging atoms in 3-D" in this Oct. 28, 2013 talk, which is part of a Science at the Theater event entitled Eight Big Ideas

  16. SAND contact in DYNA3D

    SciTech Connect (OSTI)

    Whirley, R.G.; Engelmann, B.E.

    1992-08-25

    This paper describes some recent developments in adaptive contact algorithms for the transient analysis of penetration and material failure in DYNA3D. A failure criterion is defined for volumes of potentially failing material on each side of a contact surface. As material within an element fails, the element is deleted from the calculation and the contact surface is adaptively redefined to include the newly exposed outer material boundary. This algorithm admits arbitrary combinations of shell and solid elements to allow modeling of composite or honeycomb structures. The algorithms and their efficiency are illustrated with several DYNA3D simulations and results are compared with experimental data.

  17. VisIt - 3D Scientific Visualization

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    VisIt VisIt - 3D Scientific Visualization Description and Overview VisIt is a point-and-click 3D scientific visualization application that supports most common visualization techniques (e.g., iso-contouring and volume rendering) on structured and unstructured grids. Due to its distributed and parallel architecture, VisIt is able to handle very large datasets interactively. In addition, VisIt is extensible, allowing users to add data loaders or additional analysis tools to VisIt. The NERSC

  18. 3D Modeling Engine Representation Summary Report

    SciTech Connect (OSTI)

    Steven Prescott; Ramprasad Sampath; Curtis Smith; Timothy Yang

    2014-09-01

    Computers have been used for 3D modeling and simulation, but only recently have computational resources been able to give realistic results in a reasonable time frame for large complex models. This summary report addressed the methods, techniques, and resources used to develop a 3D modeling engine to represent risk analysis simulation for advanced small modular reactor structures and components. The simulations done for this evaluation were focused on external events, specifically tsunami floods, for a hypothetical nuclear power facility on a coastline.

  19. Shim3d Helmholtz Solution Package

    Energy Science and Technology Software Center (OSTI)

    2009-01-29

    This suite of codes solves the Helmholtz Equation for the steady-state propagation of single-frequency electromagnetic radiation in an arbitrary 2D or 3D dielectric medium. Materials can be either transparent or absorptive (including metals) and are described entirely by their shape and complex dielectric constant. Dielectric boundaries are assumed to always fall on grid boundaries and the material within a single grid cell is considered to be uniform. Input to the problem is in the formmore » of a Dirichlet boundary condition on a single boundary, and may be either analytic (Gaussian) in shape, or a mode shape computed using a separate code (such as the included eigenmode solver vwave20), and written to a file. Solution is via the finite difference method using Jacobi iteration for 3D problems or direct matrix inversion for 2D problems. Note that 3D problems that include metals will require different iteration parameters than described in the above reference. For structures with curved boundaries not easily modeled on a rectangular grid, the auxillary codes helmholtz11(2D), helm3d (semivectoral), and helmv3d (full vectoral) are provided. For these codes the finite difference equations are specified on a topological regular triangular grid and solved using Jacobi iteration or direct matrix inversion as before. An automatic grid generator is supplied.« less

  20. INGRID; 3-D Mesh Generation Nonlinear Systems

    SciTech Connect (OSTI)

    Stillman, D.W.; Rainsberger, R.

    1985-07-01

    INGRID is a general-purpose, three-dimensional mesh generator developed for use with finite element, nonlinear, structural dynamics codes. INGRID generates the large and complex input data files for DYNA3D, NIKE3D, FACET, and TOPAZ3D. One of the greatest advantages of INGRID is that virtually any shape can be described without resorting to wedge elements, tetrahedrons, triangular elements or highly distorted quadrilateral or hexahedral elements. Other capabilities available are in the areas of geometry and graphics. Exact surface equations and surface intersections considerably improve the ability to deal with accurate models, and a hidden line graphics algorithm is included which is efficient on the most complicated meshes. The primary new capability is associated with the boundary conditions, loads, and material properties required by nonlinear mechanics programs. Commands have been designed for each case to minimize user effort. This is particularly important since special processing is almost always required for each load or boundary condition.

  1. INGRID. 3-D Mesh Generation Nonlinear Systems

    SciTech Connect (OSTI)

    Christon, M.A.; Dovey, D.; Stillman, D.W.; Hallquist, J.O.; Rainsberger, R.B.

    1992-09-01

    INGRID is a general-purpose, three-dimensional mesh generator developed for use with finite element, nonlinear, structural dynamics codes. INGRID generates the large and complex input data files for DYNA3D, NIKE3D, FACET, and TOPAZ3D. One of the greatest advantages of INGRID is that virtually any shape can be described without resorting to wedge elements, tetrahedrons, triangular elements or highly distorted quadrilateral or hexahedral elements. Other capabilities available are in the areas of geometry and graphics. Exact surface equations and surface intersections considerably improve the ability to deal with accurate models, and a hidden line graphics algorithm is included which is efficient on the most complicated meshes. The primary new capability is associated with the boundary conditions, loads, and material properties required by nonlinear mechanics programs. Commands have been designed for each case to minimize user effort. This is particularly important since special processing is almost always required for each load or boundary condition.

  2. INGRID. 3-D Mesh Generation Nonlinear Systems

    SciTech Connect (OSTI)

    Stillman, D.W.; Rainsberger, R.

    1985-07-01

    INGRID is a general-purpose, three-dimensional mesh generator developed for use with finite element, nonlinear, structural dynamics codes. INGRID generates the large and complex input data files for DYNA3D, NIKE3D, FACET, and TOPAZ3D (ESTSC. One of the greatest advantages of INGRID is that virtually any shape can be described without resorting to wedge elements, tetrahedrons, triangular elements or highly distorted quadrilateral or hexahedral elements. Other capabilities available are in the areas of geometry and graphics. Exact surface equations and surface intersections considerably improve the ability to deal with accurate models, and a hidden line graphics algorithm is included which is efficient on the most complicated meshes. The primary new capability is associated with the boundary conditions, loads, and material properties required by nonlinear mechanics programs. Commands have been designed for each case to minimize user effort. This is particularly important since special processing is almost always required for each load or boundary condition.

  3. INGRID. 3-D Mesh Generation Nonlinear Systems

    SciTech Connect (OSTI)

    Stillman, D.W.; Rainsberger, R.

    1985-07-01

    INGRID is a general-purpose, three-dimensional mesh generator developed for use with finite element, nonlinear, structural dynamics codes. INGRID generates the large and complex input data files for DYNA3D, NIKE3D, FACET, and TOPAZ3D. One of the greatest advantages of INGRID is that virtually any shape can be described without resorting to wedge elements, tetrahedrons, triangular elements or highly distorted quadrilateral or hexahedral elements. Other capabilities available are in the areas of geometry and graphics. Exact surface equations and surface intersections considerably improve the ability to deal with accurate models, and a hidden line graphics algorithm is included which is efficient on the most complicated meshes. The primary new capability is associated with the boundary conditions, loads, and material properties required by nonlinear mechanics programs. Commands have been designed for each case to minimize user effort. This is particularly important since special processing is almost always required for each load or boundary condition.

  4. 3-D Mesh Generation Nonlinear Systems

    SciTech Connect (OSTI)

    1994-04-07

    INGRID is a general-purpose, three-dimensional mesh generator developed for use with finite element, nonlinear, structural dynamics codes. INGRID generates the large and complex input data files for DYNA3D, NIKE3D, FACET, and TOPAZ3D. One of the greatest advantages of INGRID is that virtually any shape can be described without resorting to wedge elements, tetrahedrons, triangular elements or highly distorted quadrilateral or hexahedral elements. Other capabilities available are in the areas of geometry and graphics. Exact surface equations and surface intersections considerably improve the ability to deal with accurate models, and a hidden line graphics algorithm is included which is efficient on the most complicated meshes. The primary new capability is associated with the boundary conditions, loads, and material properties required by nonlinear mechanics programs. Commands have been designed for each case to minimize user effort. This is particularly important since special processing is almost always required for each load or boundary condition.

  5. SNL3dFace

    Energy Science and Technology Software Center (OSTI)

    2007-07-20

    This software distribution contains MATLAB and C++ code to enable identity verification using 3D images that may or may not contain a texture component. The code is organized to support system performance testing and system capability demonstration through the proper configuration of the available user interface. Using specific algorithm parameters the face recognition system has been demonstrated to achieve a 96.6% verification rate (Pd) at 0.001 false alarm rate. The system computes robust facial featuresmore » of a 3D normalized face using Principal Component Analysis (PCA) and Fisher Linear Discriminant Analysis (FLDA). A 3D normalized face is obtained by alighning each face, represented by a set of XYZ coordinated, to a scaled reference face using the Iterative Closest Point (ICP) algorithm. The scaled reference face is then deformed to the input face using an iterative framework with parameters that control the deformed surface regulation an rate of deformation. A variety of options are available to control the information that is encoded by the PCA. Such options include the XYZ coordinates, the difference of each XYZ coordinates from the reference, the Z coordinate, the intensity/texture values, etc. In addition to PCA/FLDA feature projection this software supports feature matching to obtain similarity matrices for performance analysis. In addition, this software supports visualization of the STL, MRD, 2D normalized, and PCA synthetic representations in a 3D environment.« less

  6. Design for reliability of BEoL and 3-D TSV structures – A joint effort of FEA and innovative experimental techniques

    SciTech Connect (OSTI)

    Auersperg, Jürgen; Vogel, Dietmar; Auerswald, Ellen; Rzepka, Sven; Michel, Bernd

    2014-06-19

    Copper-TSVs for 3D-IC-integration generate novel challenges for reliability analysis and prediction, e.g. the need to master multiple failure criteria for combined loading including residual stress, interface delamination, cracking and fatigue issues. So, the thermal expansion mismatch between copper and silicon leads to a stress situation in silicon surrounding the TSVs which is influencing the electron mobility and as a result the transient behavior of transistors. Furthermore, pumping and protrusion of copper is a challenge for Back-end of Line (BEoL) layers of advanced CMOS technologies already during manufacturing. These effects depend highly on the temperature dependent elastic-plastic behavior of the TSV-copper and the residual stresses determined by the electro deposition chemistry and annealing conditions. That’s why the authors pushed combined simulative/experimental approaches to extract the Young’s-modulus, initial yield stress and hardening coefficients in copper-TSVs from nanoindentation experiments, as well as the temperature dependent initial yield stress and hardening coefficients from bow measurements due to electroplated thin copper films on silicon under thermal cycling conditions. A FIB trench technique combined with digital image correlation is furthermore used to capture the residual stress state near the surface of TSVs. The extracted properties are discussed and used accordingly to investigate the pumping and protrusion of copper-TSVs during thermal cycling. Moreover, the cracking and delamination risks caused by the elevated temperature variation during BEoL ILD deposition are investigated with the help of fracture mechanics approaches.

  7. 3D Charge Order Found in Superconductor

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    3D Charge Order Found in Superconductor Print Despite 30 years of intense study, the explanation behind the zero-resistance current displayed by high-temperature superconductors (HTSCs) is still shrouded in complexity. HTSCs tend to be heterogeneous materials with multiple phases, and disentangling their various electronic behaviors for analysis can be difficult. At the ALS, researchers used resonant soft x-ray diffraction (RSXD), a technique sensitive to both structure and electronic state at

  8. 3D Charge Order Found in Superconductor

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    3D Charge Order Found in Superconductor Print Despite 30 years of intense study, the explanation behind the zero-resistance current displayed by high-temperature superconductors (HTSCs) is still shrouded in complexity. HTSCs tend to be heterogeneous materials with multiple phases, and disentangling their various electronic behaviors for analysis can be difficult. At the ALS, researchers used resonant soft x-ray diffraction (RSXD), a technique sensitive to both structure and electronic state at

  9. 3D Charge Order Found in Superconductor

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    3D Charge Order Found in Superconductor Print Despite 30 years of intense study, the explanation behind the zero-resistance current displayed by high-temperature superconductors (HTSCs) is still shrouded in complexity. HTSCs tend to be heterogeneous materials with multiple phases, and disentangling their various electronic behaviors for analysis can be difficult. At the ALS, researchers used resonant soft x-ray diffraction (RSXD), a technique sensitive to both structure and electronic state at

  10. 3D Charge Order Found in Superconductor

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    3D Charge Order Found in Superconductor Print Despite 30 years of intense study, the explanation behind the zero-resistance current displayed by high-temperature superconductors (HTSCs) is still shrouded in complexity. HTSCs tend to be heterogeneous materials with multiple phases, and disentangling their various electronic behaviors for analysis can be difficult. At the ALS, researchers used resonant soft x-ray diffraction (RSXD), a technique sensitive to both structure and electronic state at

  11. 3D Charge Order Found in Superconductor

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    3D Charge Order Found in Superconductor Print Despite 30 years of intense study, the explanation behind the zero-resistance current displayed by high-temperature superconductors (HTSCs) is still shrouded in complexity. HTSCs tend to be heterogeneous materials with multiple phases, and disentangling their various electronic behaviors for analysis can be difficult. At the ALS, researchers used resonant soft x-ray diffraction (RSXD), a technique sensitive to both structure and electronic state at

  12. 3D Charge Order Found in Superconductor

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    3D Charge Order Found in Superconductor Print Despite 30 years of intense study, the explanation behind the zero-resistance current displayed by high-temperature superconductors (HTSCs) is still shrouded in complexity. HTSCs tend to be heterogeneous materials with multiple phases, and disentangling their various electronic behaviors for analysis can be difficult. At the ALS, researchers used resonant soft x-ray diffraction (RSXD), a technique sensitive to both structure and electronic state at

  13. GPU-Accelerated Denoising in 3D (GD3D)

    Energy Science and Technology Software Center (OSTI)

    2013-10-01

    The raw computational power GPU Accelerators enables fast denoising of 3D MR images using bilateral filtering, anisotropic diffusion, and non-local means. This software addresses two facets of this promising application: what tuning is necessary to achieve optimal performance on a modern GPU? And what parameters yield the best denoising results in practice? To answer the first question, the software performs an autotuning step to empirically determine optimal memory blocking on the GPU. To answer themore » second, it performs a sweep of algorithm parameters to determine the combination that best reduces the mean squared error relative to a noiseless reference image.« less

  14. SciTech Connect: "3d printing"

    Office of Scientific and Technical Information (OSTI)

    3d printing" Find + Advanced Search Term Search Semantic Search Advanced Search All Fields: "3d printing" Semantic Semantic Term Title: Full Text: Bibliographic Data: Creator ...

  15. Yb{sub 5}Ni{sub 4}Sn{sub 10} and Yb{sub 7}Ni{sub 4}Sn{sub 13}: New polar intermetallics with 3D framework structures

    SciTech Connect (OSTI)

    Lei Xiaowu; Sun Zhongming; Li Longhua; Zhong Guohua; Hu Chunli; Mao Jianggao

    2010-04-15

    The title compounds have been obtained by solid state reactions of the corresponding pure elements at high temperature, and structurally characterized by single-crystal X-ray diffraction studies. Yb{sub 5}Ni{sub 4}Sn{sub 10} adopts the Sc{sub 5}Co{sub 4}Si{sub 10} structure type and crystallizes in the tetragonal space group P4/mbm (No. 127) with cell parameters of a=13.785(4) A, c=4.492 (2) A, V=853.7(5) A{sup 3}, and Z=2. Yb{sub 7}Ni{sub 4}Sn{sub 13} is isostructural with Yb{sub 7}Co{sub 4}InGe{sub 12} and crystallizes in the tetragonal space group P4/m (No. 83) with cell parameters of a=11.1429(6) A, c=4.5318(4) A, V=562.69(7) A{sup 3}, and Z=1. Both structures feature three-dimensional (3D) frameworks based on three different types of one-dimensional (1D) channels, which are occupied by the Yb atoms. Electronic structure calculations based on density functional theory (DFT) indicate that both compounds are metallic. These results are in agreement with those from temperature-dependent resistivity and magnetic susceptibility measurements. - Graphical abstract: Two new ytterbium nickel stannides, namely, Yb{sub 5}Ni{sub 4}Sn{sub 10} and Yb{sub 7}Ni{sub 4}Sn{sub 13}, have been synthesized and structurally characterized by single-crystal X-ray diffraction studies. Both their structures feature three-dimensional (3D) frameworks based on three different types of one-dimensional (1D) channels, which are situated by all the Yb atoms. Electronic structure calculations based on density functional theory (DFT) indicate that both compounds are metallic, which are in accordance with the results from temperature-dependent resistivity and magnetic susceptibility measurements.

  16. Restructuring of RELAP5-3D

    SciTech Connect (OSTI)

    George Mesina; Joshua Hykes

    2005-09-01

    The RELAP5-3D source code is unstructured with many interwoven logic flow paths. By restructuring the code, it becomes easier to read and understand, which reduces the time and money required for code development, debugging, and maintenance. A structured program is comprised of blocks of code with one entry and exit point and downward logic flow. IF tests and DO loops inherently create structured code, while GOTO statements are the main cause of unstructured code. FOR_STRUCT is a commercial software package that converts unstructured FORTRAN into structured programming; it was used to restructure individual subroutines. Primarily it transforms GOTO statements, ARITHMETIC IF statements, and COMPUTED GOTO statements into IF-ELSEIF-ELSE tests and DO loops. The complexity of RELAP5-3D complicated the task. First, FOR_STRUCT cannot completely restructure all the complex coding contained in RELAP5-3D. An iterative approach of multiple FOR_STRUCT applications gave some additional improvements. Second, FOR_STRUCT cannot restructure FORTRAN 90 coding, and RELAP5-3D is partially written in FORTRAN 90. Unix scripts for pre-processing subroutines into coding that FOR_STRUCT could handle and post-processing it back into FORTRAN 90 were written. Finally, FOR_STRUCT does not have the ability to restructure the RELAP5-3D code which contains pre-compiler directives. Variations of a file were processed with different pre-compiler options switched on or off, ensuring that every block of code was restructured. Then the variations were recombined to create a completely restructured source file. Unix scripts were written to perform these tasks, as well as to make some minor formatting improvements. In total, 447 files comprising some 180,000 lines of FORTRAN code were restructured. These showed significant reduction in the number of logic jumps contained as measured by reduction in the number of GOTO statements and line labels. The average number of GOTO statements per subroutine

  17. 3D Wavelet-Based Filter and Method

    DOE Patents [OSTI]

    Moss, William C.; Haase, Sebastian; Sedat, John W.

    2008-08-12

    A 3D wavelet-based filter for visualizing and locating structural features of a user-specified linear size in 2D or 3D image data. The only input parameter is a characteristic linear size of the feature of interest, and the filter output contains only those regions that are correlated with the characteristic size, thus denoising the image.

  18. Elastoplastic shell analysis in DYNA3D

    SciTech Connect (OSTI)

    Whirley, R.G. )

    1991-01-01

    Computer simulation of the elastoplastic behavior of thin shell structures under transient dynamic loads play an important role in many programs at Lawrence Livermore National Laboratory (LLNL) in Livermore, Calif. Often the loads are severe and the structure undergoes plastic (or permanent) deformation. These simulations are effectively performed using DYNA3D, an explicit nonlinear finite element code developed at LLNL for simulating and analyzing the large-deformation dynamic response of solids and structures. It is generally applicable to problems where the loading and response are of short duration and contain significant high-frequency components. Typical problems of this type include the contact of two impacting bodies and the resulting elastoplastic structural behavior. The objective of this investigation was to examine and improve upon the elastoplastic shell modeling capability in DYNA3D. This article summarizes the development of a new four-node quadrilateral finite element shell formulation, the YASE shell, and compares two basic methods (the stress-resultant and the thickness-resultant methods) employed in elastoplastic constitutive algorithms for shell structure modeling.

  19. 3-D Mesh Generation Nonlinear Systems

    Energy Science and Technology Software Center (OSTI)

    1994-04-07

    INGRID is a general-purpose, three-dimensional mesh generator developed for use with finite element, nonlinear, structural dynamics codes. INGRID generates the large and complex input data files for DYNA3D, NIKE3D, FACET, and TOPAZ3D. One of the greatest advantages of INGRID is that virtually any shape can be described without resorting to wedge elements, tetrahedrons, triangular elements or highly distorted quadrilateral or hexahedral elements. Other capabilities available are in the areas of geometry and graphics. Exact surfacemore » equations and surface intersections considerably improve the ability to deal with accurate models, and a hidden line graphics algorithm is included which is efficient on the most complicated meshes. The primary new capability is associated with the boundary conditions, loads, and material properties required by nonlinear mechanics programs. Commands have been designed for each case to minimize user effort. This is particularly important since special processing is almost always required for each load or boundary condition.« less

  20. 3D reconstruction of tensors and vectors

    SciTech Connect (OSTI)

    Defrise, Michel; Gullberg, Grant T.

    2005-02-17

    Here we have developed formulations for the reconstruction of 3D tensor fields from planar (Radon) and line-integral (X-ray) projections of 3D vector and tensor fields. Much of the motivation for this work is the potential application of MRI to perform diffusion tensor tomography. The goal is to develop a theory for the reconstruction of both Radon planar and X-ray or line-integral projections because of the flexibility of MRI to obtain both of these type of projections in 3D. The development presented here for the linear tensor tomography problem provides insight into the structure of the nonlinear MRI diffusion tensor inverse problem. A particular application of tensor imaging in MRI is the potential application of cardiac diffusion tensor tomography for determining in vivo cardiac fiber structure. One difficulty in the cardiac application is the motion of the heart. This presents a need for developing future theory for tensor tomography in a motion field. This means developing a better understanding of the MRI signal for diffusion processes in a deforming media. The techniques developed may allow the application of MRI tensor tomography for the study of structure of fiber tracts in the brain, atherosclerotic plaque, and spine in addition to fiber structure in the heart. However, the relations presented are also applicable to other fields in medical imaging such as diffraction tomography using ultrasound. The mathematics presented can also be extended to exponential Radon transform of tensor fields and to other geometric acquisitions such as cone beam tomography of tensor fields.

  1. Temperature dependent structural variation from 2D supramolecular network to 3D interpenetrated metal–organic framework: In situ cleavage of S–S and C–S bonds

    SciTech Connect (OSTI)

    Ugale, Bharat; Singh, Divyendu; Nagaraja, C.M.

    2015-03-15

    Two new Zn(II)–organic compounds, [Zn(muco)(dbds){sub 2}(H{sub 2}O){sub 2}] (1) and [Zn(muco)(dbs)] (2) (where, muco=trans, trans-muconate dianion, dbds=4,4′-dipyridyldisulfide and dbs=4,4′-dipyridylsulfide) have been synthesized from same precursors but at two different temperatures. Both the compounds have been characterized by single-crystal X-ray diffraction, powder X-ray diffraction, elemental analysis, IR spectroscopy, thermal analysis and photoluminescence studies. Compound 1 prepared at room temperature possesses a molecular structure extended to 2D supramolecular network through (H–O…H) hydrogen-bonding interactions. Compound 2, obtained at high temperature (100 °C) shows a 3-fold interpenetrating 3D framework constituted by an in situ generated dbs linker by the cleavage of S–S and C–S bonds of dbds linker. Thus, the influence of reaction temperature on the formation of two structural phases has been demonstrated. Both 1 and 2 exhibit ligand based luminescence emission owing to n→π⁎ and π→π⁎ transitions and also high thermal stabilities. - Graphical abstract: The influence of temperature on the formation of two structural phases, a 2D supramolecular network and a 3D 3-fold interpenetrating framework has been demonstrated and their luminescence emission is measured. - Highlights: • Two new Zn(II)–organic compounds were synthesized by tuning reaction temperatures. • Temperature induced in situ generation of dbs linker has been observed. • The compounds exhibit high thermal stability and luminescence emission properties. • The effect of temperature on structure, dimension and topology has been presented.

  2. ShowMe3D

    Energy Science and Technology Software Center (OSTI)

    2012-01-05

    ShowMe3D is a data visualization graphical user interface specifically designed for use with hyperspectral image obtained from the Hyperspectral Confocal Microscope. The program allows the user to select and display any single image from a three dimensional hyperspectral image stack. By moving a slider control, the user can easily move between images of the stack. The user can zoom into any region of the image. The user can select any pixel or region from themore » displayed image and display the fluorescence spectrum associated with that pixel or region. The user can define up to 3 spectral filters to apply to the hyperspectral image and view the image as it would appear from a filter-based confocal microscope. The user can also obtain statistics such as intensity average and variance from selected regions.« less

  3. The role of amino acid electron-donor/acceptor atoms in host-cell binding peptides is associated with their 3D structure and HLA-binding capacity in sterile malarial immunity induction

    SciTech Connect (OSTI)

    Patarroyo, Manuel E.; Almonacid, Hannia; Moreno-Vranich, Armando

    2012-01-20

    Highlights: Black-Right-Pointing-Pointer Fundamental residues located in some HABPs are associated with their 3D structure. Black-Right-Pointing-Pointer Electron-donor atoms present in {beta}-turn, random, distorted {alpha}-helix structures. Black-Right-Pointing-Pointer Electron-donor atoms bound to HLA-DR53. Black-Right-Pointing-Pointer Electron-acceptor atoms present in regular {alpha}-helix structure bound to HLA-DR52. -- Abstract: Plasmodium falciparum malaria continues being one of the parasitic diseases causing the highest worldwide mortality due to the parasite's multiple evasion mechanisms, such as immunological silence. Membrane and organelle proteins are used during invasion for interactions mediated by high binding ability peptides (HABPs); these have amino acids which establish hydrogen bonds between them in some of their critical binding residues. Immunisation assays in the Aotus model using HABPs whose critical residues had been modified have revealed a conformational change thereby enabling a protection-inducing response. This has improved fitting within HLA-DR{beta}1{sup Asterisk-Operator} molecules where amino acid electron-donor atoms present in {beta}-turn, random or distorted {alpha}-helix structures preferentially bound to HLA-DR53 molecules, whilst HABPs having amino acid electron-acceptor atoms present in regular {alpha}-helix structure bound to HLA-DR52. This data has great implications for vaccine development.

  4. 3-D Metals | Open Energy Information

    Open Energy Info (EERE)

    Metals Jump to: navigation, search Name 3-D Metals Facility 3-D Metals Sector Wind energy Facility Type Small Scale Wind Facility Status In Service Location Valley City OH...

  5. 3D Elastic Seismic Wave Propagation Code

    Energy Science and Technology Software Center (OSTI)

    1998-09-23

    E3D is capable of simulating seismic wave propagation in a 3D heterogeneous earth. Seismic waves are initiated by earthquake, explosive, and/or other sources. These waves propagate through a 3D geologic model, and are simulated as synthetic seismograms or other graphical output.

  6. Hydrogen in polar intermetallics: Syntheses and structures of the ternary Ca5Bi3D0.93, Yb5Bi3Hx, and Sm5Bi3H~1 by powder neutron or single crystal X-ray diffraction

    SciTech Connect (OSTI)

    Leon-Escamilla, E. Alejandro; Dervenagas, Panagiotis; Stasis, Constantine; Corbett, John D.

    2010-01-01

    The syntheses of the title compounds are described in detail. Structural characterizations from refinements of single crystal X-ray diffraction data for Yb{sub 5}Bi{sub 3}H{sub x} and Sm{sub 5}Bi{sub 3}H{sub 1} and of powder neutron diffraction data for Ca{sub 5}Bi{sub 3}D{sub 0.93(3)} are reported. These confirm that all three crystallize with the heavy atom structure type of {beta}-Yb{sub 5}Sb{sub 3}, and the third gives the first proof that the deuterium lies in the center of nominal calcium tetrahedra, isostructural with the Ca{sub 5}Sb{sub 3}F-type structure. These Ca and Yb phases are particularly stable with respect to dissociation to Mn{sub 5}Si{sub 3}-type product plus H{sub 2}. Some contradictions in the literature regarding Yb{sub 5}Sb{sub 3} and Yb{sub 5}Sb{sub 3}H{sub x} phases are considered in terms of adventitious hydrogen impurities that are generated during reactions in fused silica containers at elevated temperatures.

  7. RELAP5-3D User Problems

    SciTech Connect (OSTI)

    Riemke, Richard Allan

    2001-09-01

    The Reactor Excursion and Leak Analysis Program with 3D capability1 (RELAP5-3D) is a reactor system analysis code that has been developed at the Idaho National Engineering and Environmental Laboratory (INEEL) for the U. S. Department of Energy (DOE). The 3D capability in RELAP5-3D includes 3D hydrodynamics2 and 3D neutron kinetics3,4. Assessment, verification, and validation of the 3D capability in RELAP5-3D is discussed in the literature5,6,7,8,9. Additional assessment, verification, and validation of the 3D capability of RELAP5-3D will be presented in other papers in this users seminar. As with any software, user problems occur. User problems usually fall into the categories of input processing failure, code execution failure, restart/renodalization failure, unphysical result, and installation. This presentation will discuss some of the more generic user problems that have been reported on RELAP5-3D as well as their resolution.

  8. RELAP5-3D User Problems

    SciTech Connect (OSTI)

    Riemke, Richard Allan

    2002-09-01

    The Reactor Excursion and Leak Analysis Program with 3D capability1 (RELAP5-3D) is a reactor system analysis code that has been developed at the Idaho National Engineering and Environmental Laboratory (INEEL) for the U. S. Department of Energy (DOE). The 3D capability in RELAP5-3D includes 3D hydrodynamics2 and 3D neutron kinetics3,4. Assessment, verification, and validation of the 3D capability in RELAP5-3D is discussed in the literature5,6,7,8,9,10. Additional assessment, verification, and validation of the 3D capability of RELAP5-3D will be presented in other papers in this users seminar. As with any software, user problems occur. User problems usually fall into the categories of input processing failure, code execution failure, restart/renodalization failure, unphysical result, and installation. This presentation will discuss some of the more generic user problems that have been reported on RELAP5-3D as well as their resolution.

  9. Picture of the Week: An explosion of 3D printing technology

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    structure. May 24, 2015 An explosion of 3D printing technology x View image on Flickr Additive Manufacturing, known also as 3D printing, allows for the rapid production of...

  10. RT3D tutorials for GMS users

    SciTech Connect (OSTI)

    Clement, T.P.; Jones, N.L.

    1998-02-01

    RT3D (Reactive Transport in 3-Dimensions) is a computer code that solves coupled partial differential equations that describe reactive-flow and transport of multiple mobile and/or immobile species in a three dimensional saturated porous media. RT3D was developed from the single-species transport code, MT3D (DoD-1.5, 1997 version). As with MT3D, RT3D also uses the USGS groundwater flow model MODFLOW for computing spatial and temporal variations in groundwater head distribution. This report presents a set of tutorial problems that are designed to illustrate how RT3D simulations can be performed within the Department of Defense Groundwater Modeling System (GMS). GMS serves as a pre- and post-processing interface for RT3D. GMS can be used to define all the input files needed by RT3D code, and later the code can be launched from within GMS and run as a separate application. Once the RT3D simulation is completed, the solution can be imported to GMS for graphical post-processing. RT3D v1.0 supports several reaction packages that can be used for simulating different types of reactive contaminants. Each of the tutorials, described below, provides training on a different RT3D reaction package. Each reaction package has different input requirements, and the tutorials are designed to describe these differences. Furthermore, the tutorials illustrate the various options available in GMS for graphical post-processing of RT3D results. Users are strongly encouraged to complete the tutorials before attempting to use RT3D and GMS on a routine basis.

  11. TAURUS. 3-d Finite Element Code Postprocessor

    SciTech Connect (OSTI)

    Whirley, R.G.

    1991-05-01

    TAURUS reads the binary plot files generated by the LLNL three-dimensional finite element analysis codes, NIKE3D (ESTSC 139), DYNA3D (ESTSC 138), TACO3D (ESTSC 287), TOPAZ3D (ESTSC 231), and GEMINI (ESTSC 455) and plots contours, time histories,and deformed shapes. Contours of a large number of quantities may be plotted on meshes consisting of plate, shell, and solid type elements. TAURUS can compute a variety of strain measures, reaction forces along constrained boundaries, and momentum. TAURUS has three phases: initialization, geometry display with contouring, and time history processing.

  12. TAURUS. 3-d Finite Element Code Postprocessor

    SciTech Connect (OSTI)

    Whirley, R.G.

    1992-03-03

    TAURUS reads the binary plot files generated by the LLNL three-dimensional finite element analysis codes, NIKE3D (ESTSC 139), DYNA3D (ESTSC 138), TACO3D (ESTSC 287), TOPAZ3D (ESTSC 231), and GEMINI (ESTSC 455) and plots contours, time histories,and deformed shapes. Contours of a large number of quantities may be plotted on meshes consisting of plate, shell, and solid type elements. TAURUS can compute a variety of strain measures, reaction forces along constrained boundaries, and momentum. TAURUS has three phases: initialization, geometry display with contouring, and time history processing.

  13. TAURUS. 3-D Finite Element Code Postprocessor

    SciTech Connect (OSTI)

    Whirley, R.G.

    1984-05-01

    TAURUS reads the binary plot files generated by the LLNL three-dimensional finite element analysis codes, NIKE3D, DYNA3D, TACO3D, TOPAZ3D, and GEMINI and plots contours, time histories,and deformed shapes. Contours of a large number of quantities may be plotted on meshes consisting of plate, shell, and solid type elements. TAURUS can compute a variety of strain measures, reaction forces along constrained boundaries, and momentum. TAURUS has three phases: initialization, geometry display with contouring, and time history processing.

  14. TAURUS. 3-D Finite Element Code Postprocessor

    SciTech Connect (OSTI)

    Whirley, R.G.

    1993-11-30

    TAURUS reads the binary plot files generated by the LLNL three-dimensional finite element analysis codes, NIKE3D, DYNA3D, TACO3D, TOPAZ3D, and GEMINI and plots contours, time histories,and deformed shapes. Contours of a large number of quantities may be plotted on meshes consisting of plate, shell, and solid type elements. TAURUS can compute a variety of strain measures, reaction forces along constrained boundaries, and momentum. TAURUS has three phases: initialization, geometry display with contouring, and time history processing.

  15. TAURUS. 3-D Finite Element Code Postprocessor

    SciTech Connect (OSTI)

    Whirley, R.G.

    1992-03-03

    TAURUS reads the binary plot files generated by the LLNL three-dimensional finite element analysis codes, NIKE3D, DYNA3D, TACO3D, TOPAZ3D, and GEMINI and plots contours, time histories,and deformed shapes. Contours of a large number of quantities may be plotted on meshes consisting of plate, shell, and solid type elements. TAURUS can compute a variety of strain measures, reaction forces along constrained boundaries, and momentum. TAURUS has three phases: initialization, geometry display with contouring, and time history processing.

  16. TAURUS. 3-D Finite Element Code Postprocessor

    SciTech Connect (OSTI)

    Kennedy, T.

    1992-03-03

    TAURUS reads the binary plot files generated by the LLNL three-dimensional finite element analysis codes, NIKE3D, DYNA3D, TACO3D, TOPAZ3D, and GEMINI and plots contours, time histories, and deformed shapes. Contours of a large number of quantities may be plotted on meshes consisting of plate, shell, and solid type elements. TAURUS can compute a variety of strain measures, reaction forces along constrained boundaries, and momentum. TAURUS has three phases: initialization, geometry display with contouring, and time history processing.

  17. A 3D Geostatistical Mapping Tool

    Energy Science and Technology Software Center (OSTI)

    1999-02-09

    This software provides accurate 3D reservoir modeling tools and high quality 3D graphics for PC platforms enabling engineers and geologists to better comprehend reservoirs and consequently improve their decisions. The mapping algorithms are fractals, kriging, sequential guassian simulation, and three nearest neighbor methods.

  18. Recent Improvements To The RELAP5-3D Code

    SciTech Connect (OSTI)

    Richard A. Riemke; Paul D. Bayless; S. Michael Modro

    2006-06-01

    The RELAP5-3D computer program has been recently improved. Changes were made as follows: (1) heat structures are allowed to be decoupled from hydrodynamic components, (2) built-in material properties for heat structures have been made consistent with those in MATPRO and the Nuclear Systems Materials Handbook (they are now documented in the RELAP5-3D manual, (3) Schrock's flow quality correlation is now used for a downward oriented junction from a horizontal volume for the stratification entrainment/pullthrough model.

  19. Fabrication of 3D Silicon Sensors

    SciTech Connect (OSTI)

    Kok, A.; Hansen, T.E.; Hansen, T.A.; Lietaer, N.; Summanwar, A.; Kenney, C.; Hasi, J.; Da Via, C.; Parker, S.I.; /Hawaii U.

    2012-06-06

    Silicon sensors with a three-dimensional (3-D) architecture, in which the n and p electrodes penetrate through the entire substrate, have many advantages over planar silicon sensors including radiation hardness, fast time response, active edge and dual readout capabilities. The fabrication of 3D sensors is however rather complex. In recent years, there have been worldwide activities on 3D fabrication. SINTEF in collaboration with Stanford Nanofabrication Facility have successfully fabricated the original (single sided double column type) 3D detectors in two prototype runs and the third run is now on-going. This paper reports the status of this fabrication work and the resulted yield. The work of other groups such as the development of double sided 3D detectors is also briefly reported.

  20. How We 3D-Print Aerogel

    SciTech Connect (OSTI)

    2015-04-23

    A new type of graphene aerogel will make for better energy storage, sensors, nanoelectronics, catalysis and separations. Lawrence Livermore National Laboratory researchers have made graphene aerogel microlattices with an engineered architecture via a 3D printing technique known as direct ink writing. The research appears in the April 22 edition of the journal, Nature Communications. The 3D printed graphene aerogels have high surface area, excellent electrical conductivity, are lightweight, have mechanical stiffness and exhibit supercompressibility (up to 90 percent compressive strain). In addition, the 3D printed graphene aerogel microlattices show an order of magnitude improvement over bulk graphene materials and much better mass transport.

  1. Climate Change Capacity Development (C3D+) | Open Energy Information

    Open Energy Info (EERE)

    Capacity Development (C3D+) Jump to: navigation, search Logo: Climate Change Capacity Development (C3D+) Name Climate Change Capacity Development (C3D+) AgencyCompany...

  2. Advanced 3D Geophysical Imaging Technologies for Geothermal Resource...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    3D Geophysical Imaging Technologies for Geothermal Resource Characterization Advanced 3D Geophysical Imaging Technologies for Geothermal Resource Characterization Advanced 3D ...

  3. 3-D simulations of multiple beam klystrons

    SciTech Connect (OSTI)

    Smithe, David N.; Bettenhausen, Mike; Ludeking, Larry; Caryotakis, G.; Sprehn, Daryl; Scheitrum, Glenn [Mission Research Corporation, 8560 Cinderbed Rd., Suite 700, Newington, Virginia 22122 (United States); Stanford Linear Accelerator Center, 2575 Sand Hill Rd., Menlo Park, California 94025 (United States)

    1999-05-07

    The MAGIC3D simulation code is being used to assess the multi-dimensional physics issues relating to the design and operation of multiple beam klystrons. Investigations, to date, include a detailed study of the mode structure of the cavities in the 19-beam hexagonally packed geometry and a study of the velocity spread caused by the cavity mode's field profile. Some attempts to minimize this effect are investigated. Additional simulations have provided quantification of the beam loading Q in a dual input cavity, and optimization of a dual output cavity. An important goal of the simulations is an accurate picture of beam transport along the length of the MBK. We have quantified the magnitude and spatial variation of the beam-line space charge interactions within a cavity gap. Present simulations have demonstrated the transport of the beam through three cavities (the present limits of our simulation size) without difficulty; additional length simulations are expected. We have also examined unbalanced beam-line scenarios, e.g., one beam-line suppressed, and find little disturbance to the transport in individual cavity tests, with results for multiple cavity transport expected.

  4. 3D TORUS V1.0

    Energy Science and Technology Software Center (OSTI)

    002440MLTPL00 3D Torus Routing Engine Module for OFA OpenSM v. 1.0 http://www.openfabrics.org/git?p=sashak/management.git;a=sum

  5. Nonlaser-based 3D surface imaging

    SciTech Connect (OSTI)

    Lu, Shin-yee; Johnson, R.K.; Sherwood, R.J.

    1994-11-15

    3D surface imaging refers to methods that generate a 3D surface representation of objects of a scene under viewing. Laser-based 3D surface imaging systems are commonly used in manufacturing, robotics and biomedical research. Although laser-based systems provide satisfactory solutions for most applications, there are situations where non laser-based approaches are preferred. The issues that make alternative methods sometimes more attractive are: (1) real-time data capturing, (2) eye-safety, (3) portability, and (4) work distance. The focus of this presentation is on generating a 3D surface from multiple 2D projected images using CCD cameras, without a laser light source. Two methods are presented: stereo vision and depth-from-focus. Their applications are described.

  6. Parallel 3D Fast Fourier Transform Functions

    Energy Science and Technology Software Center (OSTI)

    2008-12-19

    BigFFT is a scalable implementation of a three dimensional Fast Fourier Transform operation. Functions are included for forward and backward real-to-complex 3D transforms.

  7. 3D Charge Order Found in Superconductor

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    3D Charge Order Found in Superconductor 3D Charge Order Found in Superconductor Print Wednesday, 08 June 2016 00:00 Despite 30 years of intense study, the explanation behind the zero-resistance current displayed by high-temperature superconductors (HTSCs) is still shrouded in complexity. HTSCs tend to be heterogeneous materials with multiple phases, and disentangling their various electronic behaviors for analysis can be difficult. At the ALS, researchers used resonant soft x-ray diffraction

  8. STELLOPT Modeling of the 3D Diagnostic Response in ITER

    SciTech Connect (OSTI)

    Lazerson, Samuel A

    2013-05-07

    The ITER three dimensional diagnostic response to an n=3 resonant magnetic perturbation is modeled using the STELLOPT code. The in-vessel coils apply a resonant magnetic perturbation (RMP) fi eld which generates a 4 cm edge displacement from axisymmetry as modeled by the VMEC 3D equilibrium code. Forward modeling of flux loop and magnetic probe response with the DIAGNO code indicates up to 20 % changes in measured plasma signals. Simulated LIDAR measurements of electron temperature indicate 2 cm shifts on the low field side of the plasma. This suggests that the ITER diagnostic will be able to diagnose the 3D structure of the equilibria.

  9. DYNA3D example problem manual

    SciTech Connect (OSTI)

    Lovejoy, S.C.; Whirley, R.G.

    1990-10-10

    This manual describes in detail the solution of ten example problems using the explicit nonlinear finite element code DYNA3D. The sample problems include solid, shell, and beam element types, and a variety of linear and nonlinear material models. For each example, there is first an engineering description of the physical problem to be studied. Next, the analytical techniques incorporated in the model are discussed and key features of DYNA3D are highlighted. INGRID commands used to generate the mesh are listed, and sample plots from the DYNA3D analysis are given. Finally, there is a description of the TAURUS post-processing commands used to generate the plots of the solution. This set of example problems is useful in verifying the installation of DYNA3D on a new computer system. In addition, these documented analyses illustrate the application of DYNA3D to a variety of engineering problems, and thus this manual should be helpful to new analysts getting started with DYNA3D. 7 refs., 56 figs., 9 tabs.

  10. DYNA3D Code Practices and Developments

    SciTech Connect (OSTI)

    Lin, L.; Zywicz, E.; Raboin, P.

    2000-04-21

    DYNA3D is an explicit, finite element code developed to solve high rate dynamic simulations for problems of interest to the engineering mechanics community. The DYNA3D code has been under continuous development since 1976[1] by the Methods Development Group in the Mechanical Engineering Department of Lawrence Livermore National Laboratory. The pace of code development activities has substantially increased in the past five years, growing from one to between four and six code developers. This has necessitated the use of software tools such as CVS (Concurrent Versions System) to help manage multiple version updates. While on-line documentation with an Adobe PDF manual helps to communicate software developments, periodically a summary document describing recent changes and improvements in DYNA3D software is needed. The first part of this report describes issues surrounding software versions and source control. The remainder of this report details the major capability improvements since the last publicly released version of DYNA3D in 1996. Not included here are the many hundreds of bug corrections and minor enhancements, nor the development in DYNA3D between the manual release in 1993[2] and the public code release in 1996.

  11. Some remarks on shell element analysis with DYNA3D and NIKE3D

    SciTech Connect (OSTI)

    Whirley, R.G.; Engelmann, B.E.; Maker, B.N.; Spelce, T.E.

    1992-03-24

    There has been some confusion in the user community recently regarding the various shell element formulations now available in DYNA3D (Whirley and Hadlquist, 1991) and NIKE3D (Maker, Ferencz, and Hallquist, 1991). In particular, questions have been raised about the behavior of these elements under large strain, and the display of meaningful results from such problems using TAURUS (Spelce and Hallquist, 1991). This brief report is intended to aid the DYNA/NIKE user community by elaborating on the formulation of the DYNA3D/NIKE3D shell elements and on the display of shell data using TAURUS. In the following discussion no attempt is made to give a complete description of the theoretical development or implementation of any of the elements. Readers interested in a more complete discussion of the shell elements in DYNA3D and NIKE3D are directed to the published papers cited in the code User Manuals.

  12. Ames Lab 101: 3D Metals Printer

    SciTech Connect (OSTI)

    Ott, Ryan

    2014-02-13

    To meet one of the biggest energy challenges of the 21st century - finding alternatives to rare-earth elements and other critical materials - scientists will need new and advanced tools. The Critical Materials Institute at the U.S. Department of Energy's Ames Laboratory has a new one: a 3D printer for metals research. 3D printing technology, which has captured the imagination of both industry and consumers, enables ideas to move quickly from the initial design phase to final form using materials including polymers, ceramics, paper and even food. But the Critical Materials Institute (CMI) will apply the advantages of the 3D printing process in a unique way: for materials discovery.

  13. Further improvements on TRACE 3-D

    SciTech Connect (OSTI)

    Rusthoi, D.P.; Lysenko, W.P.; Crandall, K.R.

    1997-08-01

    TRACE 3-D, an interactive beam-dynamics program that calculates the envelopes of a bunched beam (including linear space-charge forces) through a user-defined transport system, has undergone several upgrades in physics, coding, and capabilities. Recent modifications include centroid tracking (and misalignment capabilities) and an improved beam description that allows study of some nonlinear effects such as wakefields. The Fortran code has been made portable and runs on numerous platforms. It can be used with a variety of graphics packages. The additional beamline elements, new commands, expanded fitting capabilities, improved beam description, and coding modifications have extended TRACE 3-D`s usefulness and applicability to the accelerator community. These changes are documented in the third edition of TRACE 3-D Documentation.

  14. 3-D Finite Element Heat Transfer

    Energy Science and Technology Software Center (OSTI)

    1992-02-01

    TOPAZ3D is a three-dimensional implicit finite element computer code for heat transfer analysis. TOPAZ3D can be used to solve for the steady-state or transient temperature field on three-dimensional geometries. Material properties may be temperature-dependent and either isotropic or orthotropic. A variety of time-dependent and temperature-dependent boundary conditions can be specified including temperature, flux, convection, and radiation. By implementing the user subroutine feature, users can model chemical reaction kinetics and allow for any type of functionalmore » representation of boundary conditions and internal heat generation. TOPAZ3D can solve problems of diffuse and specular band radiation in an enclosure coupled with conduction in the material surrounding the enclosure. Additional features include thermal contact resistance across an interface, bulk fluids, phase change, and energy balances.« less

  15. Ames Lab 101: 3D Metals Printer

    ScienceCinema (OSTI)

    Ott, Ryan

    2014-06-04

    To meet one of the biggest energy challenges of the 21st century - finding alternatives to rare-earth elements and other critical materials - scientists will need new and advanced tools. The Critical Materials Institute at the U.S. Department of Energy's Ames Laboratory has a new one: a 3D printer for metals research. 3D printing technology, which has captured the imagination of both industry and consumers, enables ideas to move quickly from the initial design phase to final form using materials including polymers, ceramics, paper and even food. But the Critical Materials Institute (CMI) will apply the advantages of the 3D printing process in a unique way: for materials discovery.

  16. 3D face analysis for demographic biometrics

    SciTech Connect (OSTI)

    Tokola, Ryan A; Mikkilineni, Aravind K; Boehnen, Chris Bensing

    2015-01-01

    Despite being increasingly easy to acquire, 3D data is rarely used for face-based biometrics applications beyond identification. Recent work in image-based demographic biometrics has enjoyed much success, but these approaches suffer from the well-known limitations of 2D representations, particularly variations in illumination, texture, and pose, as well as a fundamental inability to describe 3D shape. This paper shows that simple 3D shape features in a face-based coordinate system are capable of representing many biometric attributes without problem-specific models or specialized domain knowledge. The same feature vector achieves impressive results for problems as diverse as age estimation, gender classification, and race classification.

  17. Theoretical manual for DYNA3D

    SciTech Connect (OSTI)

    Hallquist, J.O.

    1983-03-01

    This report provides a theoretical manual for DYNA3D, a vectorized explicit three-dimensional finite element code for analyzing the large deformation dynamic response of inelastic solids. A contact-impact algorithm that permits gaps and sliding along material interfaces is described. By a specialization of this algorithm, such interfaces can be rigidly tied to admit variable zoning without the need of transition regions. Spatial discretization is achieved by the use of 8-node solid elements, and the equations-of-motion are integrated by the central difference method. DYNA3D is operational on the CRAY-1 and CDC7600 computers.

  18. Directing Matter: Toward Atomic-Scale 3D Nanofabrication

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jesse, Stephen; Borisevich, Albina Y.; Fowlkes, Jason D.; Lupini, Andrew R.; Rack, Philip D.; Unocic, Raymond R.; Sumpter, Bobby G.; Kalinin, Sergei V.; Belianinov, Alex; Ovchinnikova, Olga S.

    2016-05-16

    Here we report that enabling memristive, neuromorphic, and quantum based computing as well as efficient mainstream energy storage and conversion technologies requires next generation of materials customized at the atomic scale. This requires full control of atomic arrangement and bonding in three dimensions. The last two decades witnessed substantial industrial, academic, and government research efforts directed towards this goal through various lithographies and scanning probe based methods. These technologies emphasize 2D surface structures, with some limited 3D capability. Recently, a range of focused electron and ion based methods have demonstrated compelling alternative pathways to achieving atomically precise manufacturing of 3Dmore » structures in solids, liquids, and at interfaces. Electron and ion microscopies offer a platform that can simultaneously observe dynamic and static structures at the nano and atomic scales, and also induce structural rearrangements and chemical transformation. The addition of predictive modeling or rapid image analytics and feedback enables guiding these in a controlled manner. Here, we review the recent results that used focused electron and ion beams to create free-standing nanoscale 3D structures, radiolysis and the fabrication potential with liquid precursors, epitaxial crystallization of amorphous oxides with atomic layer precision, as well as visualization and control of individual dopant motion within a 3D crystal lattice. These works lay the foundation for new approaches to directing nanoscale level architectures and offer a potential roadmap to full 3D atomic control in materials. Lastly, in this perspective we lay out the gaps that currently constrain the processing range of these platforms, reflect on indirect requirements, such as the integration of large scale data analysis with theory, and discuss future prospects of these technologies.« less

  19. RELAP5-3D Developer Guidelines and Programming Practices

    SciTech Connect (OSTI)

    Dr. George L Mesina

    2014-03-01

    Our ultimate goal is to create and maintain RELAP5-3D as the best software tool available to analyze nuclear power plants. This begins with writing excellent programming and requires thorough testing. This document covers development of RELAP5-3D software, the behavior of the RELAP5-3D program that must be maintained, and code testing. RELAP5-3D must perform in a manner consistent with previous code versions with backward compatibility for the sake of the users. Thus file operations, code termination, input and output must remain consistent in form and content while adding appropriate new files, input and output as new features are developed. As computer hardware, operating systems, and other software change, RELAP5-3D must adapt and maintain performance. The code must be thoroughly tested to ensure that it continues to perform robustly on the supported platforms. The coding must be written in a consistent manner that makes the program easy to read to reduce the time and cost of development, maintenance and error resolution. The programming guidelines presented her are intended to institutionalize a consistent way of writing FORTRAN code for the RELAP5-3D computer program that will minimize errors and rework. A common format and organization of program units creates a unifying look and feel to the code. This in turn increases readability and reduces time required for maintenance, development and debugging. It also aids new programmers in reading and understanding the program. Therefore, when undertaking development of the RELAP5-3D computer program, the programmer must write computer code that follows these guidelines. This set of programming guidelines creates a framework of good programming practices, such as initialization, structured programming, and vector-friendly coding. It sets out formatting rules for lines of code, such as indentation, capitalization, spacing, etc. It creates limits on program units, such as subprograms, functions, and modules. It

  20. Crashworthiness simulations with DYNA3D

    SciTech Connect (OSTI)

    Schauer, D.A.; Hoover, C.G.; Kay, G.J.; Lee, A.S.; De Groot, A.J.

    1996-04-01

    Current progress in parallel algorithm research and applications in vehicle crash simulation is described for the explicit, finite element algorithms in DYNA3D. Problem partitioning methods and parallel algorithms for contact at material interfaces are the two challenging algorithm research problems that are addressed. Two prototype parallel contact algorithms have been developed for treating the cases of local and arbitrary contact. Demonstration problems for local contact are crashworthiness simulations with 222 locally defined contact surfaces and a vehicle/barrier collision modeled with arbitrary contact. A simulation of crash tests conducted for a vehicle impacting a U-channel small sign post embedded in soil has been run on both the serial and parallel versions of DYNA3D. A significant reduction in computational time has been observed when running these problems on the parallel version. However, to achieve maximum efficiency, complex problems must be appropriately partitioned, especially when contact dominates the computation.

  1. 3D Technology for intelligent trackers

    SciTech Connect (OSTI)

    Lipton, Ronald; /Fermilab

    2010-09-01

    At Super-LHC luminosity it is expected that the standard suite of level 1 triggers for CMS will saturate. Information from the tracker will be needed to reduce trigger rates to satisfy the level 1 bandwidth. Tracking trigger modules which correlate information from closely-spaced sensor layers to form an on-detector momentum filter are being developed by several groups. We report on a trigger module design which utilizes three dimensional integrated circuit technology incorporating chips which are connected both to the top and bottom sensor, providing the ability to filter information locally. A demonstration chip, the VICTR, has been submitted to the Chartered/Tezzaron two-tier 3D run coordinated by Fermilab. We report on the 3D design concept, the status of the VICTR chip and associated sensor integration utilizing oxide bonding.

  2. Azimuthally Anisotropic 3D Velocity Continuation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Burnett, William; Fomel, Sergey

    2011-01-01

    We extend time-domain velocity continuation to the zero-offset 3D azimuthally anisotropic case. Velocity continuation describes how a seismic image changes given a change in migration velocity. This description turns out to be of a wave propagation process, in which images change along a velocity axis. In the anisotropic case, the velocity model is multiparameter. Therefore, anisotropic image propagation is multidimensional. We use a three-parameter slowness model, which is related to azimuthal variations in velocity, as well as their principal directions. This information is useful for fracture and reservoir characterization from seismic data. We provide synthetic diffraction imaging examples to illustratemore » the concept and potential applications of azimuthal velocity continuation and to analyze the impulse response of the 3D velocity continuation operator.« less

  3. Sandia Modifies Delft3D Turbine Model

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Modifies Delft3D Turbine Model - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management Programs

  4. GEN3D Ver. 1.37

    Energy Science and Technology Software Center (OSTI)

    2012-01-04

    GEN3D is a three-dimensional mesh generation program. The three-dimensional mesh is generated by mapping a two-dimensional mesh into threedimensions according to one of four types of transformations: translating, rotating, mapping onto a spherical surface, and mapping onto a cylindrical surface. The generated three-dimensional mesh can then be reoriented by offsetting, reflecting about an axis, and revolving about an axis. GEN3D can be used to mesh geometries that are axisymmetric or planar, but, due to three-dimensionalmore » loading or boundary conditions, require a three-dimensional finite element mesh and analysis. More importantly, it can be used to mesh complex three-dimensional geometries composed of several sections when the sections can be defined in terms of transformations of two dimensional geometries. The code GJOIN is then used to join the separate sections into a single body. GEN3D reads and writes twodimensional and threedimensional mesh databases in the GENESIS database format; therefore, it is compatible with the preprocessing, postprocessing, and analysis codes used by the Engineering Analysis Department at Sandia National Laboratories, Albuquerque, NM.« less

  5. DREAM3D simulations of inner-belt dynamics

    SciTech Connect (OSTI)

    Cunningham, Gregory Scott

    2015-05-26

    A 1973 paper by Lyons and Thorne explains the two-belt structure for electrons in the inner magnetosphere as a balance between inward radial diffusion and loss to the atmosphere, where the loss to the atmosphere is enabled by pitch-angle scattering from Coulomb and wave-particle interactions. In the 1973 paper, equilibrium solutions to a decoupled set of 1D radial diffusion equations, one for each value of the first invariant of motion, ?, were computed to produce the equilibrium two-belt structure. Each 1D radial diffusion equation incorporated an L-and ?-dependent `lifetime' due to the Coulomb and wave-particle interactions. This decoupling of the problem is appropriate under the assumption that radial diffusion is slow in comparison to pitch-angle scattering. However, for some values of ? and L the lifetime associated with pitch-angle scattering is comparable to the timescale associated with radial diffusion, suggesting that the true equilibrium solutions might reflect `coupled modes' involving pitch-angle scattering and radial diffusion and thus requiring a 3D diffusion model. In the work we show here, we have computed the equilibrium solutions using our 3D diffusion model, DREAM3D, that allows for such coupling. We find that the 3D equilibrium solutions are quite similar to the solutions shown in the 1973 paper when we use the same physical models for radial diffusion and pitch-angle scattering from hiss. However, we show that the equilibrium solutions are quite sensitive to various aspects of the physics model employed in the 1973 paper that can be improved, suggesting that additional work needs to be done to understand the two-belt structure.

  6. Transforming Wind Turbine Blade Mold Manufacturing with 3D Printing...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Transforming Wind Turbine Blade Mold Manufacturing with 3D Printing Transforming Wind Turbine Blade Mold Manufacturing with 3D Printing A screenshot of the cover of the 3D blade ...

  7. Beam and Truss Finite Element Verification for DYNA3D

    SciTech Connect (OSTI)

    Rathbun, H J

    2007-07-16

    The explicit finite element (FE) software program DYNA3D has been developed at Lawrence Livermore National Laboratory (LLNL) to simulate the dynamic behavior of structures, systems, and components. This report focuses on verification of beam and truss element formulations in DYNA3D. An efficient protocol has been developed to verify the accuracy of these structural elements by generating a set of representative problems for which closed-form quasi-static steady-state analytical reference solutions exist. To provide as complete coverage as practically achievable, problem sets are developed for each beam and truss element formulation (and their variants) in all modes of loading and physical orientation. Analyses with loading in the elastic and elastic-plastic regimes are performed. For elastic loading, the FE results are within 1% of the reference solutions for all cases. For beam element bending and torsion loading in the plastic regime, the response is heavily dependent on the numerical integration rule chosen, with higher refinement yielding greater accuracy (agreement to within 1%). Axial loading in the plastic regime produces accurate results (agreement to within 0.01%) for all integration rules and element formulations. Truss elements are also verified to provide accurate results (within 0.01%) for elastic and elastic-plastic loading. A sample problem to verify beam element response in ParaDyn, the parallel version DYNA3D, is also presented.

  8. PSTD Simulations of Multiple Light Scattering in 3-D Macrocsopic...

    Office of Scientific and Technical Information (OSTI)

    PSTD Simulations of Multiple Light Scattering in 3-D Macrocsopic Random Media Citation Details In-Document Search Title: PSTD Simulations of Multiple Light Scattering in 3-D ...

  9. Interferometrically Defined 3D Pyrolyzed-Carbon Sensors. (Conference...

    Office of Scientific and Technical Information (OSTI)

    Conference: Interferometrically Defined 3D Pyrolyzed-Carbon Sensors. Citation Details In-Document Search Title: Interferometrically Defined 3D Pyrolyzed-Carbon Sensors. Abstract ...

  10. Transforming Wind Turbine Blade Mold Manufacturing with 3D Printing...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transforming Wind Turbine Blade Mold Manufacturing with 3D Printing Transforming Wind Turbine Blade Mold Manufacturing with 3D Printing Addthis Description Innovation in the design ...

  11. Characterization and Modeling via 3D Reconstructions of Laser...

    Office of Scientific and Technical Information (OSTI)

    Characterization and Modeling via 3D Reconstructions of Laser Welds in Stainless Steel. Citation Details In-Document Search Title: Characterization and Modeling via 3D...

  12. Visualization and Analysis of 3D Gene Expression Data (Technical...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Visualization and Analysis of 3D Gene Expression Data Citation Details In-Document Search Title: Visualization and Analysis of 3D Gene Expression Data Recent...

  13. 3-D MAPPING TECHNOLOGIES FOR HIGH LEVEL WASTE TANKS

    SciTech Connect (OSTI)

    Marzolf, A.; Folsom, M.

    2010-08-31

    This research investigated four techniques that could be applicable for mapping of solids remaining in radioactive waste tanks at the Savannah River Site: stereo vision, LIDAR, flash LIDAR, and Structure from Motion (SfM). Stereo vision is the least appropriate technique for the solids mapping application. Although the equipment cost is low and repackaging would be fairly simple, the algorithms to create a 3D image from stereo vision would require significant further development and may not even be applicable since stereo vision works by finding disparity in feature point locations from the images taken by the cameras. When minimal variation in visual texture exists for an area of interest, it becomes difficult for the software to detect correspondences for that object. SfM appears to be appropriate for solids mapping in waste tanks. However, equipment development would be required for positioning and movement of the camera in the tank space to enable capturing a sequence of images of the scene. Since SfM requires the identification of distinctive features and associates those features to their corresponding instantiations in the other image frames, mockup testing would be required to determine the applicability of SfM technology for mapping of waste in tanks. There may be too few features to track between image frame sequences to employ the SfM technology since uniform appearance may exist when viewing the remaining solids in the interior of the waste tanks. Although scanning LIDAR appears to be an adequate solution, the expense of the equipment ($80,000-$120,000) and the need for further development to allow tank deployment may prohibit utilizing this technology. The development would include repackaging of equipment to permit deployment through the 4-inch access ports and to keep the equipment relatively uncontaminated to allow use in additional tanks. 3D flash LIDAR has a number of advantages over stereo vision, scanning LIDAR, and SfM, including full frame

  14. 3D RoboMET Characterization

    SciTech Connect (OSTI)

    Madison, Jonathan D.; Susan, Donald F.; Kilgo, Alice C.

    2015-10-01

    The goal of this project is to generate 3D microstructural data by destructive and non-destructive means and provide accompanying characterization and quantitative analysis of such data. This work is a continuing part of a larger effort to relate material performance variability to microstructural variability. That larger effort is called “Predicting Performance Margins” or PPM. In conjunction with that overarching initiative, the RoboMET.3D™ is a specific asset of Center 1800 and is an automated serialsectioning system for destructive analysis of microstructure, which is called upon to provide direct customer support to 1800 and non-1800 customers. To that end, data collection, 3d reconstruction and analysis of typical and atypical microstructures have been pursued for the purposes of qualitative and quantitative characterization with a goal toward linking microstructural defects and/or microstructural features with mechanical response. Material systems examined in FY15 include precipitation hardened 17-4 steel, laser-welds of 304L stainless steel, thermal spray coatings of 304L and geological samples of sandstone.

  15. fdm3d_sndV1.0

    Energy Science and Technology Software Center (OSTI)

    2001-06-06

    FORTRAN90 software computes synthetic induction log responses in fully 3D anistropic geoelectric media.

  16. 3D Multigroup Sn Neutron Transport Code

    Energy Science and Technology Software Center (OSTI)

    2001-02-14

    ATTILA is a 3D multigroup transport code with arbitrary order ansotropic scatter. The transport equation is solved in first order form using a tri-linear discontinuous spatial differencing on an arbitrary tetrahedral mesh. The overall solution technique is source iteration with DSA acceleration of the scattering source. Anisotropic boundary and internal sources may be entered in the form of spherical harmonics moments. Alpha and k eigenvalue problems are allowed, as well as fixed source problems. Forwardmore » and adjoint solutions are available. Reflective, vacumn, and source boundary conditions are available. ATTILA can perform charged particle transport calculations using slowing down (CSD) terms. ATTILA can also be used to peform infra-red steady-state calculations for radiative transfer purposes.« less

  17. Process for 3D chip stacking

    DOE Patents [OSTI]

    Malba, Vincent

    1998-01-01

    A manufacturable process for fabricating electrical interconnects which extend from a top surface of an integrated circuit chip to a sidewall of the chip using laser pantography to pattern three dimensional interconnects. The electrical interconnects may be of an L-connect or L-shaped type. The process implements three dimensional (3D) stacking by moving the conventional bond or interface pads on a chip to the sidewall of the chip. Implementation of the process includes: 1) holding individual chips for batch processing, 2) depositing a dielectric passivation layer on the top and sidewalls of the chips, 3) opening vias in the dielectric, 4) forming the interconnects by laser pantography, and 5) removing the chips from the holding means. The process enables low cost manufacturing of chips with bond pads on the sidewalls, which enables stacking for increased performance, reduced space, and higher functional per unit volume.

  18. Process for 3D chip stacking

    DOE Patents [OSTI]

    Malba, V.

    1998-11-10

    A manufacturable process for fabricating electrical interconnects which extend from a top surface of an integrated circuit chip to a sidewall of the chip using laser pantography to pattern three dimensional interconnects. The electrical interconnects may be of an L-connect or L-shaped type. The process implements three dimensional (3D) stacking by moving the conventional bond or interface pads on a chip to the sidewall of the chip. Implementation of the process includes: (1) holding individual chips for batch processing, (2) depositing a dielectric passivation layer on the top and sidewalls of the chips, (3) opening vias in the dielectric, (4) forming the interconnects by laser pantography, and (5) removing the chips from the holding means. The process enables low cost manufacturing of chips with bond pads on the sidewalls, which enables stacking for increased performance, reduced space, and higher functional per unit volume. 3 figs.

  19. 3D Diagnostic Of Complex Plasma

    SciTech Connect (OSTI)

    Hall, Edward; Samsonov, Dmitry

    2011-11-29

    This paper reports the development of a three-dimensional(3D) dust particle position diagnostic for complex plasmas. A beam produce by Light Emitting Diodes(LEDs) is formed into horizontal sheet, for the illumination of the particles. The light sheet has a vertical colour gradient across its width, from two opposing colours. The light scattered from the particles is imaged with the camera from above. The horizontal coordinates are measured from the positions on the image. The third coordinate is determined from the colour which represents a position on the gradient of the light sheet. The use of LEDs as a light source reduces a variation in Mie scattered intensity from the particles due to the particle size distribution. The variation would induce a large vertical positional error.

  20. MOSSFRAC: An anisotropic 3D fracture model

    SciTech Connect (OSTI)

    Moss, W C; Levatin, J L

    2006-08-14

    Despite the intense effort for nearly half a century to construct detailed numerical models of plastic flow and plastic damage accumulation, models for describing fracture, an equally important damage mechanism still cannot describe basic fracture phenomena. Typical fracture models set the stress tensor to zero for tensile fracture and set the deviatoric stress tensor to zero for compressive fracture. One consequence is that the simple case of the tensile fracture of a cylinder under combined compressive radial and tensile axial loads is not modeled correctly. The experimental result is a cylinder that can support compressive radial loads, but no axial load, whereas, the typical numerical result is a cylinder with all stresses equal to zero. This incorrect modeling of fracture locally also has a global effect, because material that is fracturing produces stress release waves, which propagate from the fracture and influence the surrounding material. Consequently, it would be useful to have a model that can describe the stress relief and the resulting anisotropy due to fracture. MOSSFRAC is a material model that simulates three-dimensional tensile and shear fracture in initially isotropic elastic-plastic materials, although its framework is also amenable to initially anisotropic materials. It differs from other models by accounting for the effects of cracks on the constitutive response of the material, so that the previously described experiment, as well as complicated fracture scenarios are simulated more accurately. The model is implemented currently in the LLNL hydrocodes DYNA3D, PARADYN, and ALE3D. The purpose of this technical note is to present a complete qualitative description of the model and quantitative descriptions of salient features.

  1. Needle segmentation using 3D Hough transform in 3D TRUS guided prostate transperineal therapy

    SciTech Connect (OSTI)

    Qiu Wu; Yuchi Ming; Ding Mingyue; Tessier, David; Fenster, Aaron

    2013-04-15

    Purpose: Prostate adenocarcinoma is the most common noncutaneous malignancy in American men with over 200 000 new cases diagnosed each year. Prostate interventional therapy, such as cryotherapy and brachytherapy, is an effective treatment for prostate cancer. Its success relies on the correct needle implant position. This paper proposes a robust and efficient needle segmentation method, which acts as an aid to localize the needle in three-dimensional (3D) transrectal ultrasound (TRUS) guided prostate therapy. Methods: The procedure of locating the needle in a 3D TRUS image is a three-step process. First, the original 3D ultrasound image containing a needle is cropped; the cropped image is then converted to a binary format based on its histogram. Second, a 3D Hough transform based needle segmentation method is applied to the 3D binary image in order to locate the needle axis. The position of the needle endpoint is finally determined by an optimal threshold based analysis of the intensity probability distribution. The overall efficiency is improved through implementing a coarse-fine searching strategy. The proposed method was validated in tissue-mimicking agar phantoms, chicken breast phantoms, and 3D TRUS patient images from prostate brachytherapy and cryotherapy procedures by comparison to the manual segmentation. The robustness of the proposed approach was tested by means of varying parameters such as needle insertion angle, needle insertion length, binarization threshold level, and cropping size. Results: The validation results indicate that the proposed Hough transform based method is accurate and robust, with an achieved endpoint localization accuracy of 0.5 mm for agar phantom images, 0.7 mm for chicken breast phantom images, and 1 mm for in vivo patient cryotherapy and brachytherapy images. The mean execution time of needle segmentation algorithm was 2 s for a 3D TRUS image with size of 264 Multiplication-Sign 376 Multiplication-Sign 630 voxels. Conclusions

  2. DYNA3D: a finite element program for supercomputers

    SciTech Connect (OSTI)

    Benson, D.J.; Hallquist, J.O.

    1986-01-01

    DYNA3D is an explicit three-dimensional finite element code for analyzing the large deformation dynamic response of inelastic solids and structures. A contact-impact algorithm permits gaps and sliding along material interfaces with friction. By a specialization of this algorithm, such interfaces can be rigidly tied to admit variable zoning without the need of transition regions. Spatial discretization is achieved by the use of 8-node solid elements, 2-node beam elements, 4-node shell elements, 8-node solid shell elements, and rigid bodies. The equations-of-motion are integrated in time by the central difference method. 8 refs., 15 figs.

  3. A new elastoplastic shell element formulation for DYNA3D

    SciTech Connect (OSTI)

    Engelmann, B.E.; Whirley, R.G.

    1990-08-01

    The analysis of shell structures undergoing dynamic elastoplastic deformation is an important capability of DYNA3D. This paper presents an improved formulation for a 4-node quadrilateral shell element for explicit dynamic analysis. The proposed element is derived from a three-field weak form, and incorporates recently developed assumed strain methods for improved accuracy. In addition, the element is formulated in a large-displacement small-strain setting for minimum cost. Complex nonlinear constitutive models are easily incorporated into this formulation. Numerical examples illustrating the accuracy, robustness, and speed of the new element are shown. 13 refs., 3 tabs.

  4. A 3D POM–MOF composite based on Ni(ΙΙ) ion and 2,2´-bipyridyl-3,3´-dicarboxylic acid: Crystal structure and proton conductivity

    SciTech Connect (OSTI)

    Wei, Meilin; Wang, Xiaoxiang; Sun, Jingjing; Duan, Xianying

    2013-06-01

    We have succeeded in constructing a 3D POM–MOF, (H[Ni(Hbpdc)(H₂O)₂]₂[PW₁₂O₄₀]·8H₂O)n (H₂bpdc=2,2´-bipyridyl-3,3´-dicarboxylic acid), by the controllable self-assembly of H₂bpdc, Keggin-anions and Ni²⁺ ions based on the electrostatic and coordination interactions. Interestingly, Hbpdc⁻ as polydentate organic ligands and Keggin-anion as polydentate inorganic ligands are covalently linked transition-metal nickel at the same time. The title complex represents a new example of introducing the metal N-heterocyclic multi-carboxylic acid frameworks into POMs chemistry. Based on Keggin-anions being immobilized as part of the metal N-heterocyclic multi-carboxylic acid framework, the title complex realizes four approaches in the 1D hydrophilic channel used to engender proton conductivity in MOFs. Its water adsorption isotherm at room temperature and pressure shows that the water content in it was 31 cm³ g⁻¹ at the maximum allowable humidity, corresponding to 3.7 water molecules per unit formula. It exhibits good proton conductivities (10⁻⁴–10⁻³ S cm⁻¹) at 100 °C in the relative humidity range 35–98%. The corresponding activation energy (E{sub a}) of conductivity was estimated to be 1.01 eV. - Graphical abstract: A POM–MOF composite constructed by Keggin-type polyanion, Ni²⁺ and H₂bpdc shows good proton conductivities of 10⁻⁴–10⁻³ S cm⁻¹ at 100 °C under 35–98% RH. - Highlights: • A POM–MOF was constructed by combining metal N-heterocyclic multi-carboxylic acid framework and Keggin anion. • It opens a pathway for design and synthesis of multifunctional hybrid materials based on two building units. • Three types of potential proton-carriers have been assembled in the 1D hydrophilic channels of the POM–MOF. • It achieved such proton conductivities as 10⁻⁴–10⁻³ S cm⁻¹ at 100 °C in the RH range 35–98%.

  5. Fabrication and applications of sub-micron 2D and 3D periodic...

    Office of Scientific and Technical Information (OSTI)

    In-Document Search Title: Fabrication and applications of sub-micron 2D and 3D periodic carbon structures. Abstract not provided. Authors: Burckel, David Bruce ; Polsky, Ronen ;...

  6. Streamlining of the RELAP5-3D Code

    SciTech Connect (OSTI)

    Mesina, George L; Hykes, Joshua; Guillen, Donna Post

    2007-11-01

    RELAP5-3D is widely used by the nuclear community to simulate general thermal hydraulic systems and has proven to be so versatile that the spectrum of transient two-phase problems that can be analyzed has increased substantially over time. To accommodate the many new types of problems that are analyzed by RELAP5-3D, both the physics and numerical methods of the code have been continuously improved. In the area of computational methods and mathematical techniques, many upgrades and improvements have been made decrease code run time and increase solution accuracy. These include vectorization, parallelization, use of improved equation solvers for thermal hydraulics and neutron kinetics, and incorporation of improved library utilities. In the area of applied nuclear engineering, expanded capabilities include boron and level tracking models, radiation/conduction enclosure model, feedwater heater and compressor components, fluids and corresponding correlations for modeling Generation IV reactor designs, and coupling to computational fluid dynamics solvers. Ongoing and proposed future developments include improvements to the two-phase pump model, conversion to FORTRAN 90, and coupling to more computer programs. This paper summarizes the general improvements made to RELAP5-3D, with an emphasis on streamlining the code infrastructure for improved maintenance and development. With all these past, present and planned developments, it is necessary to modify the code infrastructure to incorporate modifications in a consistent and maintainable manner. Modifying a complex code such as RELAP5-3D to incorporate new models, upgrade numerics, and optimize existing code becomes more difficult as the code grows larger. The difficulty of this as well as the chance of introducing errors is significantly reduced when the code is structured. To streamline the code into a structured program, a commercial restructuring tool, FOR_STRUCT, was applied to the RELAP5-3D source files. The

  7. JAS3D v. 2.4

    Energy Science and Technology Software Center (OSTI)

    2009-06-29

    JAS3D is a three-dimensional finite element program originally designed to solve Lagrangian quasistatic non-linear mechanics problems, and subsequently extended to include both implicit and explicit dynamics. A set of continuum equations describes the nonlinear mechanics involving large rotation and strain. Innovative multilevel nonlinear iterative methods are used to solve the equations. A wide variety of material constitutive models are available, and contact interface logic is implemented. Two Lagrangian uniform-strain elements are available: an eighth-node hexahedronmore » for solids and a four-node quadrilateral for shells. Both use hourglass stiffness to control zero-energy modes. In addition, a version of the hexahedron is available with uniform pressure and a deviatoric response scalable from the mean response of the original element up to a fully-integrated response. Bodies under analysis may be loaded by surface pressures and concentrated forces, specified displacements, or body forces from gravity, steady-state transport, or thermal expansion.« less

  8. Novel 3-D Printed Inverters for Electric Vehicles Can Improve...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Novel 3-D Printed Inverters for Electric Vehicles Can Improve EV Power and Efficiency Novel 3-D Printed Inverters for Electric Vehicles Can Improve EV Power and Efficiency April...

  9. Visualization and Analysis of 3D Gene Expression Data (Technical...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Visualization and Analysis of 3D Gene Expression Data Citation Details In-Document Search Title: Visualization and Analysis of 3D Gene Expression Data You are...

  10. 3D Visualization of Water Transport in Ferns

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    3D Visualization of Water Transport in Ferns 3D Visualization of Water Transport in Ferns Print Monday, 08 April 2013 00:00 Plants transport water through elongated cells called...

  11. FMI Borehole Geology, Geomechanics and 3D Reservoir Modeling...

    Open Energy Info (EERE)

    FMI Borehole Geology, Geomechanics and 3D Reservoir Modeling Jump to: navigation, search OpenEI Reference LibraryAdd to library Report: FMI Borehole Geology, Geomechanics and 3D...

  12. Ames Lab 101: Real-Time 3D Imaging

    ScienceCinema (OSTI)

    Zhang, Song

    2012-08-29

    Ames Laboratory scientist Song Zhang explains his real-time 3-D imaging technology. The technique can be used to create high-resolution, real-time, precise, 3-D images for use in healthcare, security, and entertainment applications.

  13. 3D J-Integral Capability in Grizzly

    SciTech Connect (OSTI)

    Benjamin Spencer; Marie Backman; Pritam Chakraborty; William Hoffman

    2014-09-01

    This report summarizes work done to develop a capability to evaluate fracture contour J-Integrals in 3D in the Grizzly code. In the current fiscal year, a previously-developed 2D implementation of a J-Integral evaluation capability has been extended to work in 3D, and to include terms due both to mechanically-induced strains and due to gradients in thermal strains. This capability has been verified against a benchmark solution on a model of a curved crack front in 3D. The thermal term in this integral has been verified against a benchmark problem with a thermal gradient. These developments are part of a larger effort to develop Grizzly as a tool that can be used to predict the evolution of aging processes in nuclear power plant systems, structures, and components, and assess their capacity after being subjected to those aging processes. The capabilities described here have been developed to enable evaluations of Mode- stress intensity factors on axis-aligned flaws in reactor pressure vessels. These can be compared with the fracture toughness of the material to determine whether a pre-existing flaw would begin to propagate during a pos- tulated pressurized thermal shock accident. This report includes a demonstration calculation to show how Grizzly is used to perform a deterministic assessment of such a flaw propagation in a degraded reactor pressure vessel under pressurized thermal shock conditions. The stress intensity is calculated from J, and the toughness is computed using the fracture master curve and the degraded ductile to brittle transition temperature.

  14. DYNA3D: A computer code for crashworthiness engineering

    SciTech Connect (OSTI)

    Hallquist, J.O.; Benson, D.J.

    1986-09-01

    A finite element program with crashworthiness applications has been developed at LLNL. DYNA3D, an explicit, fully vectorized, finite deformation structural dynamics program, has four capabilities that are critical for the efficient and realistic modeling crash phenomena: (1) fully optimized nonlinear solid, shell, and beam elements for representing a structure; (2) a broad range of constitutive models for simulating material behavior; (3) sophisticated contact algorithms for impact interactions; (4) a rigid body capability to represent the bodies away from the impact region at a greatly reduced cost without sacrificing accuracy in the momentum calculations. Basic methodologies of the program are briefly presented along with several crashworthiness calculations. Efficiencies of the Hughes-Liu and Belytschko-Tsay shell formulations are considered.

  15. World's First 3-D Printed Car | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    World's First 3-D Printed Car World's First 3-D Printed Car Addthis Description The video is about a partnership between Local Motors and Oak Ridge National Laboratory to print the world's first 3-D printed car-the Strati-at the 2014 International Manufacturing Technology Show

  16. 3D/3D registration of coronary CTA and biplane XA reconstructions for improved image guidance

    SciTech Connect (OSTI)

    Dibildox, Gerardo Baka, Nora; Walsum, Theo van; Punt, Mark; Aben, Jean-Paul; Schultz, Carl; Niessen, Wiro

    2014-09-15

    Purpose: The authors aim to improve image guidance during percutaneous coronary interventions of chronic total occlusions (CTO) by providing information obtained from computed tomography angiography (CTA) to the cardiac interventionist. To this end, the authors investigate a method to register a 3D CTA model to biplane reconstructions. Methods: The authors developed a method for registering preoperative coronary CTA with intraoperative biplane x-ray angiography (XA) images via 3D models of the coronary arteries. The models are extracted from the CTA and biplane XA images, and are temporally aligned based on CTA reconstruction phase and XA ECG signals. Rigid spatial alignment is achieved with a robust probabilistic point set registration approach using Gaussian mixture models (GMMs). This approach is extended by including orientation in the Gaussian mixtures and by weighting bifurcation points. The method is evaluated on retrospectively acquired coronary CTA datasets of 23 CTO patients for which biplane XA images are available. Results: The Gaussian mixture model approach achieved a median registration accuracy of 1.7 mm. The extended GMM approach including orientation was not significantly different (P > 0.1) but did improve robustness with regards to the initialization of the 3D models. Conclusions: The authors demonstrated that the GMM approach can effectively be applied to register CTA to biplane XA images for the purpose of improving image guidance in percutaneous coronary interventions.

  17. RESTRUCTURING RELAP5-3D FOR NEXT GENERATION NUCLEAR PLANT ANALYSIS

    SciTech Connect (OSTI)

    Donna Post Guillen; George L. Mesina; Joshua M. Hykes

    2006-06-01

    RELAP5-3D is used worldwide for analyzing nuclear reactors under both operational transients and postulated accident conditions. Development of the RELAP code series began in 1975 and since that time the code has been continuously improved, enhanced, verified and validated [1]. Since RELAP5-3D will continue to be the premier thermal hydraulics tool well into the future, it is necessary to modernize the code to accommodate the incorporation of additional capabilities to support the development of the next generation of nuclear reactors [2]. This paper discusses the reengineering of RELAP5-3D into structured code.

  18. New local potential useful for genome annotation and 3D modeling (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect Journal Article: New local potential useful for genome annotation and 3D modeling Citation Details In-Document Search Title: New local potential useful for genome annotation and 3D modeling A new potential energy function representing the conformational preferences of sequentially local regions of a protein backbone is presented. This potential is derived from secondary structure probabilities such as those produced by neural network-based prediction methods. The

  19. 3-d-interactive-scouring-methodology

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Sixty percent of bridge failures are the result of riverbed erosion (scour) at bridge support structures, and about 1 in 20 bridges are classified as scour critical, meaning that ...

  20. Simulation of underwater explosion benchmark experiments with ALE3D

    SciTech Connect (OSTI)

    Couch, R.; Faux, D.

    1997-05-19

    Some code improvements have been made during the course of this study. One immediately obvious need was for more flexibility in the constitutive representation for materials in shell elements. To remedy this situation, a model with a tabular representation of stress versus strain and rate dependent effects was implemented. This was required in order to obtain reasonable results in the IED cylinder simulation. Another deficiency was in the ability to extract and plot variables associated with shell elements. The pipe whip analysis required the development of a scheme to tally and plot time dependent shell quantities such as stresses and strains. This capability had previously existed only for solid elements. Work was initiated to provide the same range of plotting capability for structural elements that exist with the DYNA3D/TAURUS tools. One of the characteristics of these problems is the disparity in zoning required in the vicinity of the charge and bubble compared to that needed in the far field. This disparity can cause the equipotential relaxation logic to provide a less than optimal solution. Various approaches were utilized to bias the relaxation to obtain more optimal meshing during relaxation. Extensions of these techniques have been developed to provide more powerful options, but more work still needs to be done. The results presented here are representative of what can be produced with an ALE code structured like ALE3D. They are not necessarily the best results that could have been obtained. More experience in assessing sensitivities to meshing and boundary conditions would be very useful. A number of code deficiencies discovered in the course of this work have been corrected and are available for any future investigations.

  1. Tailorable 3D microfabrication for photonic applications: two-polymer microtransfer molding (proceedings paper)

    SciTech Connect (OSTI)

    Lee, Jae-Hwang; kim, Chang-Hwan; Constant, Kristen; Ho, Kai-Ming

    2006-02-28

    For photonic devices, extending beyond the planar regime to the third dimension can allow a higher degree of integration and novel functionalities for applications such as photonic crystals and integrated optical circuits. Although conventional photolithography can achieve both high quality and structural control, it is still costly and slow for three-dimensional (3D) fabrication. Moreover, as diverse functional polymers emerge, there is potential to develop new techniques for quick and economical fabrication of 3D structures. We present a 3D microfabrication technique based on the soft lithographic technique, called two-polymer microtransfer molding (2P-{micro}TM) to accomplish low cost, high structural fidelity and tailorable 3D microfabrication for polymers. Using 2P-{micro}TM, highly layered polymeric microstructures are achievable by stacking planar structures layer by layer. For increased processing control, the surface chemistry of the polymers is characterized as a function of changing ultraviolet dosage to optimize yield in layer transfer. We discuss the application of the 2P-{micro}TM to build polymer templates for woodpile photonic crystals, and demonstrate methods for converting the polymer templates to dielectric and metallic photonic crystal structures. Finally, we will show that 2P-{micro}TM is promising for fabricating 3D polymeric optical waveguides.

  2. Advanced Characterization: 3D chemistry and structure at sub...

    Office of Scientific and Technical Information (OSTI)

    MLA APA Chicago Bibtex Export Metadata Endnote Excel CSV XML Save to My Library Send to Email Send to Email Email address: Content: Close Send Cite: MLA Format Close Cite: ...

  3. Magnetic Structure of 3D Sculpted Cobalt Nanoparticles | Argonne...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    in the fields of photonics and optics as polarization filters, and as tissue scaffolds in biomedical applications. This research paves a path toward a clearer fundamental...

  4. A Lagrangian Interpretation of 3D Tropical Cloud Structure: ...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Retrievals with Satellite Data A. M. Vogelmann, K. L. Johnson, M. P. Jensen, M. A. Miller, and M. J. Bartholomew Brookhaven National Laboratory Upton, New York M. P. Jensen...

  5. New Methane Hydrate Research: Investing in Our Energy Future | Department

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    of Energy Methane Hydrate Research: Investing in Our Energy Future New Methane Hydrate Research: Investing in Our Energy Future August 31, 2012 - 1:37pm Addthis Methane hydrates are 3D ice-lattice structures with natural gas locked inside. If methane hydrate is either warmed or depressurized, it will release the trapped natural gas. Methane hydrates are 3D ice-lattice structures with natural gas locked inside. If methane hydrate is either warmed or depressurized, it will release the trapped

  6. Interactive initialization of 2D/3D rigid registration

    SciTech Connect (OSTI)

    Gong, Ren Hui; Gler, zgr; Krkloglu, Mustafa; Lovejoy, John; Yaniv, Ziv

    2013-12-15

    Purpose: Registration is one of the key technical components in an image-guided navigation system. A large number of 2D/3D registration algorithms have been previously proposed, but have not been able to transition into clinical practice. The authors identify the primary reason for the lack of adoption with the prerequisite for a sufficiently accurate initial transformation, mean target registration error of about 10 mm or less. In this paper, the authors present two interactive initialization approaches that provide the desired accuracy for x-ray/MR and x-ray/CT registration in the operating room setting. Methods: The authors have developed two interactive registration methods based on visual alignment of a preoperative image, MR, or CT to intraoperative x-rays. In the first approach, the operator uses a gesture based interface to align a volume rendering of the preoperative image to multiple x-rays. The second approach uses a tracked tool available as part of a navigation system. Preoperatively, a virtual replica of the tool is positioned next to the anatomical structures visible in the volumetric data. Intraoperatively, the physical tool is positioned in a similar manner and subsequently used to align a volume rendering to the x-ray images using an augmented reality (AR) approach. Both methods were assessed using three publicly available reference data sets for 2D/3D registration evaluation. Results: In the authors' experiments, the authors show that for x-ray/MR registration, the gesture based method resulted in a mean target registration error (mTRE) of 9.3 5.0 mm with an average interaction time of 146.3 73.0 s, and the AR-based method had mTREs of 7.2 3.2 mm with interaction times of 44 32 s. For x-ray/CT registration, the gesture based method resulted in a mTRE of 7.4 5.0 mm with an average interaction time of 132.1 66.4 s, and the AR-based method had mTREs of 8.3 5.0 mm with interaction times of 58 52 s. Conclusions: Based on the authors

  7. RELAP5-3D V. 4.X.X

    Energy Science and Technology Software Center (OSTI)

    000191MLTPL01 NON-NRC FUNDED RELAP5-3D VERSION 4.x.x SOFTWARE REACTOR EXCURSION AND LEAK ANALYSIS PACKAGE - THREE DIMENSIONAL

  8. Transforming Wind Turbine Blade Mold Manufacturing with 3D Printing

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    WORKING TOGETHER TO BUILD A FASTER AND LEANER FUTURE FOR WIND TURBINE BLADE MANUFACTURING ... For the wind industry, 3D printing could transform turbine blade mold manufacturing, ...

  9. Advanced 3D Geophysical Imaging Technologies for Geothermal Resource Characterization

    Broader source: Energy.gov [DOE]

    Advanced 3D Geophysical Imaging Technologies for Geothermal Resource Characterization presentation at the April 2013 peer review meeting held in Denver, Colorado.

  10. Assessing the RELAPS-3D Heat Conduction Enclosure Model

    SciTech Connect (OSTI)

    McCann, Larry D.

    2008-09-30

    Three heat conduction problems that have exact solutions are modeled with RELAP5-3D using the conduction enclosure model. These comparisons are designed to be used in the RELAP5-3D development assessment scheduled to be completed in 2009. It is shown that with proper input choices and adequate model detail the exact solutions can be matched. In addition, this analysis identified an error and the required correction in the cylindrical and spherical heat conductor models in RELAP5-3D which will be corrected in a future version of RELAP5-3D.

  11. 3-D Combustion Simulation Strategy Status, Future Potential,...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    D Combustion Simulation Strategy Status, Future Potential, and Application Issues 3-D Combustion Simulation Strategy Status, Future Potential, and Application Issues 2004 Diesel ...

  12. 3D MAGNETOTELLURIC CHARACTERIZATION OF THE COSO GEOTHERMAL FIELD...

    Open Energy Info (EERE)

    3D MAGNETOTELLURIC CHARACTERIZATION OF THE COSO GEOTHERMAL FIELD Abstract Knowledge of the subsurface electrical resistivityconductivity can contribute to a better...

  13. Energy Department Unveils 3D-Printed Building; New Initiatives...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ... Energy Department Unveils 3D-Printed Building; New Initiatives During Industry Day DOE Announces JUMP Initiative Winners, Launches New Crowdsourcing Calls at Bay Area Maker Faire

  14. 3-D Printer Speeds Metals Research | Critical Materials Institute

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    3-D Printer Speeds Metals Research The Critical Materials Institute has a new 3D printer for metals research. Ryan Ott, principal investigator at the Ames Laboratory and the CMI, is using 3D printing technology to discover new materials. He uses the printer to produce a large variety of alloys in less time than needed in traditional casting methods. "Metal 3D printers are slowly becoming more commonplace," Ott said. "They can be costly, and are often limited to small-scale

  15. How 3D Printers Work | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    3D Printers Work How 3D Printers Work June 19, 2014 - 9:28am Addthis How does 3D printing work? Watch a 3D printing timelapse video and read on below to learn everything you need to know about this game-changing innovation that is capturing the imagination of major manufacturers and hobbyists alike. | Video by Matty Greene, Energy Department. Rebecca Matulka Rebecca Matulka Former Digital Communications Specialist, Office of Public Affairs Matty Greene Matty Greene Former Videographer What are

  16. 3D model generation using an airborne swarm

    SciTech Connect (OSTI)

    Clark, R. A.; Punzo, G.; Macdonald, M.; Dobie, G.; MacLeod, C. N.; Summan, R.; Pierce, G.; Bolton, G.

    2015-03-31

    Using an artificial kinematic field to provide co-ordination between multiple inspection UAVs, the authors herein demonstrate full 3D modelling capability based on a photogrammetric system. The operation of the system is demonstrated by generating a full 3D surface model of an intermediate level nuclear waste storage drum. Such drums require periodic inspection to ensure that drum distortion or corrosion is carefully monitored. Performing this inspection with multiple airborne platforms enables rapid inspection of structures that are inaccessible to on-surface remote vehicles and are in human-hazardous environments. A three-dimensional surface-meshed model of the target can then be constructed in post-processing through photogrammetry analysis of the visual inspection data. The inspection environment uses a tracking system to precisely monitor the position of each aerial vehicle within the enclosure. The vehicles used are commercially available Parrot AR. Drone quadcopters, controlled through a computer interface connected over an IEEE 802.11n (WiFi) network, implementing a distributed controller for each vehicle. This enables the autonomous and distributed elements of the control scheme to be retained, while alleviating the vehicles of the control algorithms computational load. The control scheme relies on a kinematic field defined with the target at its centre. This field defines the trajectory for all the drones in the volume relative to the central target, enabling the drones to circle the target at a set radius while avoiding drone collisions. This function enables complete coverage along the height of the object, which is assured by transitioning to another inspection band only after completing circumferential coverage. Using a swarm of vehicles, the time until complete coverage can be significantly reduced.

  17. RELAP5-3D Architectural Developments in 2004

    SciTech Connect (OSTI)

    Dr. George L. Mesina

    2004-08-01

    Currently, RELAP5 is undergoing a transformation that will replace much of its coding with equivalent structured Fortran 90 coding. Four efforts are underway to modernize the code architecture of RELAP5-3D. These are parallelization, vectorization, code restructuring, and conversion to Fortran 90. The first two improve code run speed via on computer platforms of certain architectures. These code modifications have little effect on normal code performance on non-vector and non-parallel computers because they are mostly done with compiler directives. The third and fourth efforts involve considerable rewriting of the source code. The third code improvement effort addresses code readability and maintainability. These are being greatly enhanced by application of a Fortran code-restructuring tool. The fourth effort is conversion to Fortran 90. The bulk of the coding is being rewritten in Fortran 90. This is a ground up reworking of the coding that begins with completely reorganizing the underlying database and continues with the source code. It will reach every part of RELAP5-3D. Each of these efforts is discussed in detail in a different section. Section 1 relates background information. Section 2 covers the parallelization effort. Section 3 covers the efforts to vectorize the code. Section 4 covers the code restructuring. Section 5 covers the Fortran 90 effort. Outline Background: longevity, maintenance & development, reliability, speed Parallelization: KAI to OpenMP, previous work & current, domain decomposition, done. Vectorization: Speed - Fed init, vectors in PCs, INL Cray SV1, R5 Phant, EXV, results. Code Restructuring: Reason to restructure, study of restruct, For Study: what it does, Fortran 90: Modernization -

  18. Electric-dipole allowed and intercombination transitions among the 3d{sup 5}, 3d{sup 4}4s and 3d{sup 4}4p levels of Fe IV

    SciTech Connect (OSTI)

    Deb, Narayan C.; Hibbert, Alan

    2010-07-15

    Oscillator strengths and transition rates for the electric-dipole (E1) allowed and intercombination transitions among 3d{sup 5}, 3d{sup 4}4s and 3d{sup 4}4p levels of Fe IV are calculated using the CIV3 code of Hibbert and coworkers. Using the Hartree-Fock functions up to 3d orbitals we have also optimized 4s, 4p, 4d, 4f, 5s, 5p and 5d orbitals of which 4s and 4p are taken to be spectroscopic and the remaining orbitals represent corrections to the spectroscopic orbitals or the correlation effects. The J-dependent levels of 108 LS states are included in the calculation and the relativistic effects are accounted for via the Breit-Pauli operator. Configurations are chosen in two steps: (a) two promotions were allowed from the 3p, 3d, 4s and 4p subshells, using all the orbitals; and (b) selective promotions from the 3s subshell are included, but only to the 3s and 4s orbitals. The ab initio fine-structure levels are then fine tuned to reproduce observed energy levels as closely as possible, and the resulting wavefunctions are used to calculate oscillator strengths and transition rates for all possible E1 transitions. For many of these transitions, the present results show good agreement between the length and velocity forms while for some transitions, some large disagreements are found with other available results. The complete list of weighted oscillator strengths, transition rates, and line strengths for transitions among the fine structure levels of the three lowest configurations are presented in ascending order of wavelength.

  19. 3-D seismic benefits from exploration through development: An Exxon perspective

    SciTech Connect (OSTI)

    Johnson, M.G.; Gaskins, G.M. ); Greenlee, S.M. )

    1993-09-01

    Exxon has participated in over 370 three-dimensional (3-D) seismic surveys in 13 countries since the late-1970s. The world-wide distribution of our experience is led by western Europe, the Gulf of Mexico, and Canada. These surveys have added significant value to our upstream operations and we consider 3-D seismic to be the single most important technology to ensure the effective and cost-efficient exploration and development of our oil and gas fields. Exxon is applying 3-D seismic technology in established exploration trends, the early phases of field delineation, development decision making, and exploitation. Our use of 3-D seismic surveys has led to the addition of new reserves, drilling of fewer dry or marginal exploration wells, and optimization of the number and placement of delineation, development, and secondary recovery wells. These benefits are a result of superior structural definition, more detailed reservoir descriptions, reservoir fluid content characterizations, and quantitative interpretation methods. Although 3-D seismic surveys are expensive, when balanced against potential investments in nonproductive acreage, a costly dry hole or two, a misplaced platform, incorrect assumptions on reservoir extent and geometry, or perhaps premature field abandonment, 3-D seismic surveys in most areas are money well spent.

  20. 3-D Galaxy-mapping Project Enters Construction Phase

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    3-D Galaxy-mapping Project Enters Construction Phase DESI (Dark Energy Spectroscopic Instrument) - a 3-D sky-mapping project that will measure the light of millions of galaxies and explore the nature of dark energy - has received approval to move forward with construction, which is scheduled to begin next year. Observations will start in January 2019.

  1. Simulation-Guided 3D Nanomanufacturing via Focused Electron Beam Induced Deposition

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Fowlkes, Jason D.; Winkler, Robert; Lewis, Brett B.; Stanford, Michael G.; Plank, Harald; Rack, Philip D.

    2016-06-10

    Focused electron beam induced deposition (FEBID) is one of the few techniques that enables direct-write synthesis of free-standing 3D nanostructures. While the fabrication of simple architectures such as vertical or curving nanowires has been achieved by simple trial and error, processing complex 3D structures is not tractable with this approach. This is due, inpart, to the dynamic interplay between electron–solid interactions and the transient spatial distribution of absorbed precursor molecules on the solid surface. Here, we demonstrate the ability to controllably deposit 3D lattice structures at the micro/nanoscale, which have received recent interest owing to superior mechanical and optical properties.more » Moreover, a hybrid Monte Carlo–continuum simulation is briefly overviewed, and subsequently FEBID experiments and simulations are directly compared. Finally, a 3D computer-aided design (CAD) program is introduced, which generates the beam parameters necessary for FEBID by both simulation and experiment. In using this approach, we demonstrate the fabrication of various 3D lattice structures using Pt-, Au-, and W-based precursors.« less

  2. GPU-accelerated denoising of 3D magnetic resonance images

    SciTech Connect (OSTI)

    Howison, Mark; Wes Bethel, E.

    2014-05-29

    The raw computational power of GPU accelerators enables fast denoising of 3D MR images using bilateral filtering, anisotropic diffusion, and non-local means. In practice, applying these filtering operations requires setting multiple parameters. This study was designed to provide better guidance to practitioners for choosing the most appropriate parameters by answering two questions: what parameters yield the best denoising results in practice? And what tuning is necessary to achieve optimal performance on a modern GPU? To answer the first question, we use two different metrics, mean squared error (MSE) and mean structural similarity (MSSIM), to compare denoising quality against a reference image. Surprisingly, the best improvement in structural similarity with the bilateral filter is achieved with a small stencil size that lies within the range of real-time execution on an NVIDIA Tesla M2050 GPU. Moreover, inappropriate choices for parameters, especially scaling parameters, can yield very poor denoising performance. To answer the second question, we perform an autotuning study to empirically determine optimal memory tiling on the GPU. The variation in these results suggests that such tuning is an essential step in achieving real-time performance. These results have important implications for the real-time application of denoising to MR images in clinical settings that require fast turn-around times.

  3. Molecular Predictors of 3D Morphogenesis by Breast Cancer Cell Lines in 3D Culture

    SciTech Connect (OSTI)

    Han, Ju; Chang, Hang; Giricz, Orsi; Lee, Genee; Baehner, Frederick; Gray, Joe; Bissell, Mina; Kenny, Paraic; Parvin, Bahram

    2010-02-01

    Correlative analysis of molecular markers with phenotypic signatures is the simplest model for hypothesis generation. In this paper, a panel of 24 breast cell lines was grown in 3D culture, their morphology was imaged through phase contrast microscopy, and computational methods were developed to segment and represent each colony at multiple dimensions. Subsequently, subpopulations from these morphological responses were identified through consensus clustering to reveal three clusters of round, grape-like, and stellate phenotypes. In some cases, cell lines with particular pathobiological phenotypes clustered together (e.g., ERBB2 amplified cell lines sharing the same morphometric properties as the grape-like phenotype). Next, associations with molecular features were realized through (i) differential analysis within each morphological cluster, and (ii) regression analysis across the entire panel of cell lines. In both cases, the dominant genes that are predictive of the morphological signatures were identified. Specifically, PPAR? has been associated with the invasive stellate morphological phenotype, which corresponds to triple-negative pathobiology. PPAR? has been validated through two supporting biological assays.

  4. Real time 3D and heterogeneous data fusion

    SciTech Connect (OSTI)

    Little, C.Q.; Small, D.E.

    1998-03-01

    This project visualizes characterization data in a 3D setting, in real time. Real time in this sense means collecting the data and presenting it before it delays the user, and processing faster than the acquisition systems so no bottlenecks occur. The goals have been to build a volumetric viewer to display 3D data, demonstrate projecting other data, such as images, onto the 3D data, and display both the 3D and projected images as fast as the data became available. The authors have examined several ways to display 3D surface data. The most effective was generating polygonal surface meshes. They have created surface maps form a continuous stream of 3D range data, fused image data onto the geometry, and displayed the data with a standard 3D rendering package. In parallel with this, they have developed a method to project real-time images onto the surface created. A key component is mapping the data on the correct surfaces, which requires a-priori positional information along with accurate calibration of the camera and lens system.

  5. F3D Image Processing and Analysis for Many - and Multi-core Platforms

    SciTech Connect (OSTI)

    2014-10-01

    F3D is written in OpenCL, so it achieve[sic] platform-portable parallelism on modern mutli-core CPUs and many-core GPUs. The interface and mechanims to access F3D core are written in Java as a plugin for Fiji/ImageJ to deliver several key image-processing algorithms necessary to remove artifacts from micro-tomography data. The algorithms consist of data parallel aware filters that can efficiently utilizes[sic] resources and can work on out of core datasets and scale efficiently across multiple accelerators. Optimizing for data parallel filters, streaming out of core datasets, and efficient resource and memory and data managements over complex execution sequence of filters greatly expedites any scientific workflow with image processing requirements. F3D performs several different types of 3D image processing operations, such as non-linear filtering using bilateral filtering and/or median filtering and/or morphological operators (MM). F3D gray-level MM operators are one-pass constant time methods that can perform morphological transformations with a line-structuring element oriented in discrete directions. Additionally, MM operators can be applied to gray-scale images, and consist of two parts: (a) a reference shape or structuring element, which is translated over the image, and (b) a mechanism, or operation, that defines the comparisons to be performed between the image and the structuring element. This tool provides a critical component within many complex pipelines such as those for performing automated segmentation of image stacks. F3D is also called a "descendent" of Quant-CT, another software we developed in the past. These two modules are to be integrated in a next version. Further details were reported in: D.M. Ushizima, T. Perciano, H. Krishnan, B. Loring, H. Bale, D. Parkinson, and J. Sethian. Structure recognition from high-resolution images of ceramic composites. IEEE International Conference on Big Data, October 2014.

  6. Building the 3-D jugsaw puzzle: Applications of sequence stratigraphy to 3-D reservoir characterization, Permian basin

    SciTech Connect (OSTI)

    Tinker, S.W.

    1996-04-01

    Reservoir characterization involves the quantification, integration, reduction, and analysis of geological, petrophysical, seismic, and engineering data. This is no small task. A principal goal of reservoir characterization is to derive a spatial understanding of interwell heterogeneity. Traditionally, geologic attempts to characterize interwell heterogeneity have been done using hand-drawn or computer-generated two-dimensional (2-D) maps and cross sections. Results can be improved dramatically using three-dimensional (3-D) interpretation and analysis techniques. Three-dimensional reservoir characterization requires the same input data used in 2-D approaches, and the cost is equal to, and commonly lower than, traditional 2-D methods. The product of 3-D reservoir characterization is a 3-D reservoir model. The language used to communicate the results of a 3-D reservoir model is visualization; i.e., visual images of numerical data. All of the available log and core data in a model area are incorporated in a 3-D model, but the data are depicted as colored cells rather than as log traces. The integrity of the 3-D reservoir model is largely a function of the stratigraphic framework. Interpreting the correct stratigraphic framework for a subsurface reservoir is the most difficult and creative part of the 3-D modeling process. Sequence and seismic stratigraphic interpretation provide the best stratigraphic framework for 3-D reservoir modeling. The purpose of this paper is to discuss the pro- cess of 3-D deterministic reservoir modeling and to illustrate the advantages of using a sequence stratigraphic framework in 3-D modeling. Mixed carbonate and siliciclastic sediment outcrop and subsurface examples from the Permian basin of west Texas and New Mexico will be used as examples, but the concepts and techniques can be applied to reservoirs of any age.

  7. Suitability for 3D Printed Parts for Laboratory Use

    SciTech Connect (OSTI)

    Zwicker, Andrew P.; Bloom, Josh; Albertson, Robert; Gershman, Sophia

    2014-08-01

    3D printing has become popular for a variety of users, from industrial to the home hobbyist, to scientists and engineers interested in producing their own laboratory equipment. In order to determine the suitability of 3D printed parts for our plasma physics laboratory, we measured the accuracy, strength, vacuum compatibility, and electrical properties of pieces printed in plastic. The flexibility of rapidly creating custom parts has led to the 3D printer becoming an invaluable resource in our laboratory and is equally suitable for producing equipment for advanced undergraduate laboratories.

  8. 3D Printing a Classic Shelby Cobra | Department of Energy

    Energy Savers [EERE]

    7pt.2PerformanceBasedServiceAcquisition.pdf 37pt.2PerformanceBasedServiceAcquisition.pdf (1022.17 KB) More Documents & Publications Acquisitions___Communications.pdf Acquisition Guide Chapter 7.1 - Acquisition Planning One Acquisition Solution for Integrated Services (OASIS) - Brad DeMers, General Services Administration (GSA)

    3D Printed Shelby Cobra 3D Printed Shelby Cobra Description ORNL's newly printed 3D car will be showcased at the 2015 NAIAS in Detroit. This "laboratory on

  9. 3D Printed Shelby Cobra | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    3D Printed Shelby Cobra 3D Printed Shelby Cobra Description ORNL's newly printed 3D car will be showcased at the 2015 NAIAS in Detroit. This "laboratory on wheels" uses the Shelby Cobra design, celebrating the 50th anniversary of this model and honoring the first vehicle to be voted a national monument. The Shelby was printed at the Department of Energy's Manufacturing Demonstration Facility at ORNL using the BAAM (Big Area Additive Manufacturing) machine and is intended as a

  10. 3D Printing a Classic | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    D Printing a Classic 3D Printing a Classic January 15, 2015 - 4:02pm Addthis The team from the Oak Ridge Manufacturing Demonstration Facility is at the Detroit Auto Show this week to display their latest accomplishment: a 3D-printed, electric-motor driven, Shelby Cobra. In just six weeks, the team went from designing the car in digital models, to 3D printing the frame and other parts with fiber-reinforced composite material, to assembling, finishing, and painting the final product. President

  11. Comparison of 2D and 3D gamma analyses

    SciTech Connect (OSTI)

    Pulliam, Kiley B.; Huang, Jessie Y.; Howell, Rebecca M.; Followill, David; Kry, Stephen F.; Bosca, Ryan; ODaniel, Jennifer

    2014-02-15

    Purpose: As clinics begin to use 3D metrics for intensity-modulated radiation therapy (IMRT) quality assurance, it must be noted that these metrics will often produce results different from those produced by their 2D counterparts. 3D and 2D gamma analyses would be expected to produce different values, in part because of the different search space available. In the present investigation, the authors compared the results of 2D and 3D gamma analysis (where both datasets were generated in the same manner) for clinical treatment plans. Methods: Fifty IMRT plans were selected from the authors clinical database, and recalculated using Monte Carlo. Treatment planning system-calculated (evaluated dose distributions) and Monte Carlo-recalculated (reference dose distributions) dose distributions were compared using 2D and 3D gamma analysis. This analysis was performed using a variety of dose-difference (5%, 3%, 2%, and 1%) and distance-to-agreement (5, 3, 2, and 1 mm) acceptance criteria, low-dose thresholds (5%, 10%, and 15% of the prescription dose), and data grid sizes (1.0, 1.5, and 3.0 mm). Each comparison was evaluated to determine the average 2D and 3D gamma, lower 95th percentile gamma value, and percentage of pixels passing gamma. Results: The average gamma, lower 95th percentile gamma value, and percentage of passing pixels for each acceptance criterion demonstrated better agreement for 3D than for 2D analysis for every plan comparison. The average difference in the percentage of passing pixels between the 2D and 3D analyses with no low-dose threshold ranged from 0.9% to 2.1%. Similarly, using a low-dose threshold resulted in a difference between the mean 2D and 3D results, ranging from 0.8% to 1.5%. The authors observed no appreciable differences in gamma with changes in the data density (constant difference: 0.8% for 2D vs 3D). Conclusions: The authors found that 3D gamma analysis resulted in up to 2.9% more pixels passing than 2D analysis. It must be noted

  12. 3-D seismic and reservoir modeling, ram prospect, Viosca Knoll Block 912, offshore Gulf of Mexico

    SciTech Connect (OSTI)

    Carew, W.; Ostendorf, P.F. ); Krum, G.K. )

    1993-09-01

    Ram prospect is a large stratigraphic trap located in Viosca Knoll Block 912/956/957, offshore Alabama in 3500-ft water depth. Reservoirs are Pliocene and Miocene gas- and oil-bearing deep-water sands deposited as fan complexes in an intraslope basin. The field has been proved by a total of 12 well penetrations and is nearing the development stage. In an effort to predict reservoir performance and recovery efficiencies, we constructed three-dimensional (3-D) reservoir models Exxon's in-house 3-D modeling program (GEOSET). Reservoir simulation studies will be based upon these 3-D geological models. We used 3-D seismic data to map seismic attributes around the prospect and well control to calibrate the seismic attributes based on known reservoir characteristics, thereby deriving a facies map for the entire field. Top/base structure, gross isopach, facies polygons, porosity, and Vshale were input into GEOSET to define the overall reservoir container and fill. The paucity of well data was compensated by using the 3-D-seismic based facies as a guide to filling polygons and by creating [open quotes]pseudowells[close quotes] from the real well data. These pseudowells aided in correlating within and between polygons. The resulting 3-D models (total porosity, effective porosity, Vsand) faithfully reflect the heterogeneity inferred from both 3-D seismic data and well control and provide visualization of reservoir continuity much better than models derived from well data alone. The models serve as a framework within which one can perform reservoir simulations and run various sensitivities. Additionally, the GEOSET porosity models can provide an alternative reservoir volume calculation.

  13. 3D Printed Microscope for Mobile Devices that Cost Pennies

    ScienceCinema (OSTI)

    Erikson, Rebecca; Baird, Cheryl; Hutchinson, Janine

    2015-06-23

    Scientists at PNNL have designed a 3D-printable microscope for mobile devices using pennies worth of plastic and glass materials. The microscope has a wide range of uses, from education to in-the-field science.

  14. Printing 3D Catalytic Devices | The Ames Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Printing 3D Catalytic Devices An error occurred. Try watching this video on www.youtube.com, or enable JavaScript if it is disabled in your browser. Ames Laboratory scientist Igor...

  15. Metasurface skin invisibility cloak makes 3D objects disappear

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Metasurface skin invisibility cloak makes 3D objects disappear Click to share on Facebook (Opens in new window) Click to share on Twitter (Opens in new window) Click to share on ...

  16. Full-3D Waveform Tomography for Southern California | Argonne...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Full-3D Waveform Tomography for Southern California Authors: Lee, E., Chenm P., Jordan, ... Model Version 4.0 (CVM4) in Southern California as initial model, a staggered-grid ...

  17. 3D Printing Comes of Age | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    and used only for prototype builds, to performing on the real factory floor. Watch the video about the 3D printing demonstration. Learn more about the Advanced Manufacturing Office

  18. 3D-Printed Car by Local Motors- The Strati

    Broader source: Energy.gov [DOE]

    A timelapse video of the production process behind The Strati - the 3D-printed car by Local Motors, which manufactured with Oak Ridge National Laboratory (ORNL) and delivered at the International Manufacturing Technology Show (IMTS) in September of 2014.

  19. The Development and Application of SCDAP-3D

    SciTech Connect (OSTI)

    Coryell, E.W.; Harvego, E.A.; Siefken, L.J.

    2002-03-05

    The SCDAP-3D computer code (Coryell 2001) has been developed at the Idaho National Engineering and Environmental Laboratory (INEEL) for the analysis of severe reactor accidents. A prominent feature of SCDAP-3D relative to other versions of the code is its linkage to the state-of-the-art thermal/hydraulic analysis capabilities of RELAP5-3D. Enhancements to the severe accident models include the ability to simulate high burnup and alternative fuel, as well as modifications to support advanced reactor analyses, such as those described by the Department of Energy's Generation IV (GenIV) initiative. Initial development of SCDAP-3D is complete and two widely varying but successful applications of the code are summarized. The first application is to large break loss of coolant accident analysis performed for a reactor with alternative fuel, and the second is a calculation of International Standard Problem 45 (ISP-45) or the QUENCH 6 experiment.

  20. Development and Application of RELAP5-3D

    SciTech Connect (OSTI)

    Coryell, Eric Wesley; Harvego, Edwin Allan; Siefken, Larry James

    2002-04-01

    The SCDAP-3D computer code (Coryell 2001) has been developed at the Idaho National Engineering and Environmental Laboratory (INEEL) for the analysis of severe reactor accidents. A prominent feature of SCDAP-3D relative to other versions of the code is its linkage to the state-of-the-art thermal/hydraulic analysis capabilities of RELAP5-3D. Enhancements to the severe accident models include the ability to simulate high burnup and alternative fuel, as well as modifications to support advanced reactor analyses, such as those described by the Department of Energy's Generation IV (GenIV) initiative. Initial development of SCDAP-3D is complete and two widely varying but successful applications of the code are summarized. The first application is to large break loss of coolant accident analysis performed for a reactor with alternative fuel, and the second is a calculation of International Standard Problem 45 (ISP-45) or the QUENCH 6 experiment.

  1. 3D Printed Car at the International Manufacturing Technology...

    Office of Environmental Management (EM)

    Image: Courtesy of Local Motors Carbon Fiber Pellets 4 of 6 Carbon Fiber Pellets Pellets of plastic mixed with carbon fiber were used in the production process of the 3D-printed ...

  2. 3D Printed Microscope for Mobile Devices that Cost Pennies

    SciTech Connect (OSTI)

    Erikson, Rebecca; Baird, Cheryl; Hutchinson, Janine

    2014-09-15

    Scientists at PNNL have designed a 3D-printable microscope for mobile devices using pennies worth of plastic and glass materials. The microscope has a wide range of uses, from education to in-the-field science.

  3. LLNL researchers outline what happens during metal 3D printing...

    National Nuclear Security Administration (NNSA)

    are fused by a laser or electron beam based on a 3D computer-aided design (CAD) model. ... NNSA's systems administrators keep the computers running Meet a Machine: Explosive science ...

  4. 3D Covalent Organic Framework Materials database (Dataset) |...

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: 3D Covalent Organic Framework Materials ... DOE Contract Number: AC02-05CH11231 Resource Type: Dataset Data Type: Numeric Data ...

  5. Microseismicity and 3-D Mapping of an Active Geothermal Field...

    Open Energy Info (EERE)

    suggests an intersecting network of fractures with both NE and approximately NW trends. 3-D tomographic analyses of P-wave velocity, S-wave velocity, and the VpVs ratio are...

  6. Future of 3D Printing | GE Global Research

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    In 2016, GE will enter a new jet engine into service called the CFM LEAP-the first in GE's line to incorporate 3D-printed parts. Specifically, it will be a combustion component ...

  7. Roaming Mars and Space: 3D Technology Exploration from Home ...

    Energy Savers [EERE]

    Linda Silverman Senior Advisor, Tech-to-Market Office Erin Twamley Project and Web ... It is part of a growing culture of 3D Web innovation. Visit the code library. DOE's ...

  8. Development and Optimization of Viable Human Platforms through 3D Printing

    SciTech Connect (OSTI)

    Parker, Paul R.; Moya, Monica L.; Wheeler, Elizabeth K.

    2015-08-21

    3D printing technology offers a unique method for creating cell cultures in a manner far more conducive to accurate representation of human tissues and systems. Here we print cellular structures capable of forming vascular networks and exhibiting qualities of natural tissues and human systems. This allows for cheaper and readily available sources for further study of biological and pharmaceutical agents.

  9. Hanford Site - 100-HR-3-D | Department of Energy

    Office of Environmental Management (EM)

    D Hanford Site - 100-HR-3-D July 1, 2014 - 12:00pm Addthis US Department of Energy Groundwater Database Groundwater Master Report InstallationName, State: Hanford Site, WA Responsible DOE Office: Office of Environmental Management Plume Name: 100-HR-3-D Remediation Contractor: CHPRC PBS Number: 30 Report Last Updated: July 2014 with CY2013 data Contaminants Halogenated VOCs/SVOCs Present?: No Fuel Present? No Metals Present? Yes Isotopes Present? Yes Explosives Present? No Other Contaminants? No

  10. Researchers 3D print ultralight supercapacitors | National Nuclear Security

    National Nuclear Security Administration (NNSA)

    Administration | (NNSA) 3D print ultralight supercapacitors Monday, February 22, 2016 - 12:00am NNSA Blog The micro-architectured, ultra-lightweight supercapacitor material is able to retain energy on par with those made with electrodes 10 to 100 times thinner. For the first time ever, scientists at Lawrence Livermore National Laboratory and UC Santa Cruz have successfully 3D-printed supercapacitors using an ultra-lightweight graphene aerogel, opening the door to novel, unconstrained designs

  11. Metasurface skin invisibility cloak makes 3D objects disappear

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Metasurface skin invisibility cloak makes 3D objects disappear Click to share on Facebook (Opens in new window) Click to share on Twitter (Opens in new window) Click to share on Reddit (Opens in new window) Click to share on Pinterest (Opens in new window) Invisibility skin cloaks on the microscopic scale might prove valuable for hiding the detailed layout of microelectronic components or for security encryption purposes. This image is a A 3-D illustration of a metasurface skin cloak made from

  12. Texture splats for 3D vector and scalar field visualization

    SciTech Connect (OSTI)

    Crawfis, R.A.; Max, N.

    1993-04-06

    Volume Visualization is becoming an important tool for understanding large 3D datasets. A popular technique for volume rendering is known as splatting. With new hardware architectures offering substantial improvements in the performance of rendering texture mapped objects, we present textured splats. An ideal reconstruction function for 3D signals is developed which can be used as a texture map for a splat. Extensions to the basic splatting technique are then developed to additionally represent vector fields.

  13. Prototype Development Capabilities of 3D Spatial Interactions and Failures During Scenario Simulation

    SciTech Connect (OSTI)

    Steven Prescott; Ramprasad Sampath; Curtis Smith; Tony Koonce

    2014-09-01

    Computers have been used for 3D modeling and simulation, but only recently have computational resources been able to give realistic results in a reasonable time frame for large complex models. This report addressed the methods, techniques, and resources used to develop a prototype for using 3D modeling and simulation engine to improve risk analysis and evaluate reactor structures and components for a given scenario. The simulations done for this evaluation were focused on external events, specifically tsunami floods, for a hypothetical nuclear power facility on a coastline.

  14. PNA-peptide Assembly in a 3D DNA Nanocage at Room Temperature

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    PNA-peptide Assembly in a 3D DNA Nanocage at Room Temperature Authors: Flory, J.D., Shinde, S., Lin, S., Liu, Y., Yan, H., Ghirlanda, G., and Fromme, P. Title: PNA-peptide Assembly in a 3D DNA Nanocage at Room Temperature Source: J. Am. Chem. Soc. Year: 2013 Volume: 135 (18) Pages: 6985-6993 ABSTRACT: Proteins and peptides fold into dynamic structures that access a broad functional landscape, however, designing artificial polypeptide systems is still a great challenge. Conversely, DNA

  15. 3D electromagnetic inversion for environmental site characterization

    SciTech Connect (OSTI)

    Alumbaugh, D.L.; Newman, G.A.

    1997-04-01

    A 3-D non-linear electromagnetic inversion scheme has been developed to produce images of subsurface conductivity structure from electromagnetic geophysical data. The solution is obtained by successive linearized model updates where full forward modeling is employed at each iteration to compute model sensitivities and predicted data. Regularization is applied to the problem to provide stability. Because the inverse part of the problem requires the solution of 10`s to 100`s of thousands of unknowns, and because each inverse iteration requires many forward models to be computed, the code has been implemented on massively parallel computer platforms. The use of the inversion code to image environmental sites is demonstrated on a data set collected with the Apex Parametrics {open_quote}MaxMin I-8S{close_quote} over a section of stacked barrels and metal filled boxes at the Idaho National Laboratory`s {open_quote}Cold Test Pit{close_quote}. The MaxMin is a loop-loop frequency domain system which operates from 440 Hz up to 56 kHz using various coil separations; for this survey coil separations of 15, 30 and 60 feet were employed. The out-of phase data are shown to be of very good quality while the in-phase are rather noisy due to slight mispositioning errors, which cause improper cancellation of the primary free space field in the receiver. Weighting the data appropriately by the estimated noise and applying the inversion scheme is demonstrated to better define the structure of the pit. In addition, comparisons are given for single coil separations and multiple separations to show the benefits of using multiple offset data.

  16. LayTracks3D: A new approach for meshing general solids using medial axis transform

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Quadros, William Roshan

    2015-08-22

    This study presents an extension of the all-quad meshing algorithm called LayTracks to generate high quality hex-dominant meshes of general solids. LayTracks3D uses the mapping between the Medial Axis (MA) and the boundary of the 3D domain to decompose complex 3D domains into simpler domains called Tracks. Tracks in 3D have no branches and are symmetric, non-intersecting, orthogonal to the boundary, and the shortest path from the MA to the boundary. These properties of tracks result in desired meshes with near cube shape elements at the boundary, structured mesh along the boundary normal with any irregular nodes restricted to themore » MA, and sharp boundary feature preservation. The algorithm has been tested on a few industrial CAD models and hex-dominant meshes are shown in the Results section. Work is underway to extend LayTracks3D to generate all-hex meshes.« less

  17. Synthesis, structure and magnetic properties of a new iron phosphonate-oxalate with 3D framework: [Fe(O{sub 3}PCH{sub 3})(C{sub 2}O{sub 4}){sub 0.5}(H{sub 2}O)

    SciTech Connect (OSTI)

    Zhang Yangyang [Applied Catalysis Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Qi Yue [Applied Catalysis Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Zhang Ying [Applied Catalysis Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Liu Ziyu [Applied Catalysis Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Zhao Yinfeng [Applied Catalysis Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Liu Zhongmin [Applied Catalysis Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)]. E-mail: liuzm@dicp.ac.cn

    2007-08-07

    A new iron phosphonate-oxalate [Fe(O{sub 3}PCH{sub 3})(C{sub 2}O{sub 4}){sub 0.5}(H{sub 2}O)] (1), has been synthesized under hydrothermal condition. The single-crystal X-ray diffraction studies reveal that 1 consists of layers of vertex-linked FeO{sub 6} octahedra and O{sub 3}PC tetrahedra, which are further connected by bis-chelate oxalate bridges, giving to a 3D structure with 10-membered channels. Crystal data: monoclinic, P2{sub 1}/n (no. 14), a=4.851(2)A, b=16.803(7)A, c=7.941(4)A, {beta}=107.516(6){sup o}, V=617.2(5)A{sup 3}, Z=4, R{sub 1}=0.0337 and wR{sub 2}=0.0874 for 1251 reflections [I>2{sigma}(I)]. Mossbauer spectroscopy measurement confirms the existence of high-spin Fe(III) in 1. Magnetic studies show that 1 exhibits weak ferromagnetism with T{sub N}=30K due to a weak spin canting.

  18. 2D?3D polycatenated and 3D?3D interpenetrated metalorganic frameworks constructed from thiophene-2,5-dicarboxylate and rigid bis(imidazole) ligands

    SciTech Connect (OSTI)

    Erer, Hakan; Ye?ilel, Okan Zafer; Ar?c?, Mrsel; Keskin, Seda; Bykgngr, Orhan

    2014-02-15

    Hydrothermal reactions of rigid 1,4-bis(imidazol-1-yl)benzene (dib) and 1,4-bis(imidazol-1-yl)-2,5-dimethylbenzene (dimb) with deprotonated thiophene-2,5-dicarboxylic acid (H{sub 2}tdc) in the presence of Zn(II) and Cd(II) salts in H{sub 2}O produced three new metalorganic frameworks, namely, [Zn(-tdc)(H{sub 2}O)(-dib)]{sub n} (1), [Cd(-tdc)(H{sub 2}O)(-dib)]{sub n} (2), and ([Cd{sub 2}({sub 3}-tdc){sub 2}(-dimb){sub 2}](H{sub 2}O)){sub n}(3). These MOFs were characterized by FT-IR spectroscopy, elemental, thermal (TG, DTA, DTG and DSC), and single-crystal X-ray diffraction analyses. Isomorphous complexes 1 and 2 reveal polycatenated 2D+2D?3D framework based on an undulated (4,4)-sql layer. Complex 3 exhibits a new 4-fold interpenetrating 3D framework with the point symbol of 6{sup 6}. Molecular simulations were used to assess the potentials of the complexes for H{sub 2} storage application. Moreover, these coordination polymers exhibit blue fluorescent emission bands in the solid state at room temperature. - Graphical abstract: In this study, hydrothermal reactions of rigid 1,4-bis(imidazol-1-yl)benzene (dib) and 1,4-bis(imidazol-1-yl)-2,5-dimethylbenzene (dimb) with deprotonated thiophene-2,5-dicarboxylic acid (H{sub 2}tdc) in the presence of Zn(II) and Cd(II) salts in H{sub 2}O produced three new metalorganic frameworks. Isomorphous complexes 1 and 2 reveal polycatenated 2D+2D?3D framework based on an undulated (4,4)-sql layer. Complex 3 exhibits a new 4-fold interpenetrating 3D framework with the point symbol of 6{sup 6}. Molecular simulations were used to assess the potentials of the complexes for H{sub 2} storage application. These coordination polymers exhibit blue fluorescent emission bands in the solid state at room temperature. Display Omitted - Highlights: Complexes 1 and 2 display polycatenated 2D+2D?3D framework. Complex 3 exhibits a new 4-fold interpenetrating 3D framework. Complex 1 adsorbs the highest amount of H{sub 2} at 100 bar and

  19. From Molecular to Macroscopic via the Rational Design of a Self-Assembled 3D DNA Crystal

    SciTech Connect (OSTI)

    Zheng, J.; Birktoft, J; Yi, C; Tong, W; Ruojie, S; Constantinou, P; Ginell, S; Chenge, M; Seeman, N

    2009-01-01

    We live in a macroscopic three-dimensional (3D) world, but our best description of the structure of matter is at the atomic and molecular scale. Understanding the relationship between the two scales requires a bridge from the molecular world to the macroscopic world. Connecting these two domains with atomic precision is a central goal of the natural sciences, but it requires high spatial control of the 3D structure of matter1. The simplest practical route to producing precisely designed 3D macroscopic objects is to form a crystalline arrangement by self-assembly, because such a periodic array has only conceptually simple requirements: a motif that has a robust 3D structure, dominant affinity interactions between parts of the motif when it self-associates, and predictable structures for these affinity interactions. Fulfilling these three criteria to produce a 3D periodic system is not easy, but should readily be achieved with well-structured branched DNA motifs tailed by sticky ends2. Complementary sticky ends associate with each other preferentially and assume the well-known B-DNA structure when they do so3; the helically repeating nature of DNA facilitates the construction of a periodic array. It is essential that the directions of propagation associated with the sticky ends do not share the same plane, but extend to form a 3D arrangement of matter. Here we report the crystal structure at 4?Angstroms resolution of a designed, self-assembled, 3D crystal based on the DNA tensegrity triangle4. The data demonstrate clearly that it is possible to design and self-assemble a well-ordered macromolecular 3D crystalline lattice with precise control.

  20. Recent Heat Transfer Improvements to the RELAP5-3D Code

    SciTech Connect (OSTI)

    Riemke, Richard A; Davis, Cliff B; Oh, Chang

    2007-05-01

    The heat transfer section of the RELAP5-3D computer program has been recently improved. The improvements are as follows: (1) the general cladding rupture model was modified (more than one heat structure segment connected to the hydrodynamic volume and heat structure geometry’s internal gap pressure), (2) the cladding rupture model was modified for reflood, and (3) the heat transfer minor edits/plots were extended to include radiation/enclosure heat flux and generation (internal heat source).

  1. Extra Dimensions: 3D and Time in PDF Documentation

    SciTech Connect (OSTI)

    Graf, N.A.; /SLAC

    2012-04-11

    Experimental science is replete with multi-dimensional information which is often poorly represented by the two dimensions of presentation slides and print media. Past efforts to disseminate such information to a wider audience have failed for a number of reasons, including a lack of standards which are easy to implement and have broad support. Adobe's Portable Document Format (PDF) has in recent years become the de facto standard for secure, dependable electronic information exchange. It has done so by creating an open format, providing support for multiple platforms and being reliable and extensible. By providing support for the ECMA standard Universal 3D (U3D) file format in its free Adobe Reader software, Adobe has made it easy to distribute and interact with 3D content. By providing support for scripting and animation, temporal data can also be easily distributed to a wide, non-technical audience. We discuss how the field of radiation imaging could benefit from incorporating full 3D information about not only the detectors, but also the results of the experimental analyses, in its electronic publications. In this article, we present examples drawn from high-energy physics, mathematics and molecular biology which take advantage of this functionality. We demonstrate how 3D detector elements can be documented, using either CAD drawings or other sources such as GEANT visualizations as input.

  2. Advanced 3D Sensing and Visualization System for Unattended Monitoring

    SciTech Connect (OSTI)

    Carlson, J.J.; Little, C.Q.; Nelson, C.L.

    1999-01-01

    The purpose of this project was to create a reliable, 3D sensing and visualization system for unattended monitoring. The system provides benefits for several of Sandia's initiatives including nonproliferation, treaty verification, national security and critical infrastructure surety. The robust qualities of the system make it suitable for both interior and exterior monitoring applications. The 3D sensing system combines two existing sensor technologies in a new way to continuously maintain accurate 3D models of both static and dynamic components of monitored areas (e.g., portions of buildings, roads, and secured perimeters in addition to real-time estimates of the shape, location, and motion of humans and moving objects). A key strength of this system is the ability to monitor simultaneous activities on a continuous basis, such as several humans working independently within a controlled workspace, while also detecting unauthorized entry into the workspace. Data from the sensing system is used to identi~ activities or conditions that can signi~ potential surety (safety, security, and reliability) threats. The system could alert a security operator of potential threats or could be used to cue other detection, inspection or warning systems. An interactive, Web-based, 3D visualization capability was also developed using the Virtual Reality Modeling Language (VRML). The intex%ace allows remote, interactive inspection of a monitored area (via the Internet or Satellite Links) using a 3D computer model of the area that is rendered from actual sensor data.

  3. Highly compressible 3D periodic graphene aerogel microlattices

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhu, Cheng; Han, T. Yong-Jin; Duoss, Eric B.; Golobic, Alexandra M.; Kuntz, Joshua D.; Spadaccini, Christopher M.; Worsley, Marcus A.

    2015-04-22

    Graphene is a two-dimensional material that offers a unique combination of low density, exceptional mechanical properties, large surface area and excellent electrical conductivity. Recent progress has produced bulk 3D assemblies of graphene, such as graphene aerogels, but they possess purely stochastic porous networks, which limit their performance compared with the potential of an engineered architecture. Here we report the fabrication of periodic graphene aerogel microlattices, possessing an engineered architecture via a 3D printing technique known as direct ink writing. The 3D printed graphene aerogels are lightweight, highly conductive and exhibit supercompressibility (up to 90% compressive strain). Moreover, the Young’s modulimore » of the 3D printed graphene aerogels show an order of magnitude improvement over bulk graphene materials with comparable geometric density and possess large surface areas. Ultimately, adapting the 3D printing technique to graphene aerogels realizes the possibility of fabricating a myriad of complex aerogel architectures for a broad range of applications.« less

  4. 3D circuit integration for Vertex and other detectors

    SciTech Connect (OSTI)

    Yarema, Ray; /Fermilab

    2007-09-01

    High Energy Physics continues to push the technical boundaries for electronics. There is no area where this is truer than for vertex detectors. Lower mass and power along with higher resolution and radiation tolerance are driving forces. New technologies such as SOI CMOS detectors and three dimensional (3D) integrated circuits offer new opportunities to meet these challenges. The fundamentals for SOI CMOS detectors and 3D integrated circuits are discussed. Examples of each approach for physics applications are presented. Cost issues and ways to reduce development costs are discussed.

  5. RELAP5-3D Code Validation for RBMK Phenomena

    SciTech Connect (OSTI)

    Fisher, James Ebberly

    1999-09-01

    The RELAP5-3D thermal-hydraulic code was assessed against Japanese Safety Experiment Loop (SEL) and Heat Transfer Loop (HTL) tests. These tests were chosen because the phenomena present are applicable to analyses of Russian RBMK reactor designs. The assessment cases included parallel channel flow fluctuation tests at reduced and normal water levels, a channel inlet pipe rupture test, and a high power, density wave oscillation test. The results showed that RELAP5-3D has the capability to adequately represent these RBMK-related phenomena.

  6. RELAP5-3D code validation for RBMK phenomena

    SciTech Connect (OSTI)

    Fisher, J.E.

    1999-09-01

    The RELAP5-3D thermal-hydraulic code was assessed against Japanese Safety Experiment Loop (SEL) and Heat Transfer Loop (HTL) tests. These tests were chosen because the phenomena present are applicable to analyses of Russian RBMK reactor designs. The assessment cases included parallel channel flow fluctuation tests at reduced and normal water levels, a channel inlet pipe rupture test, and a high power, density wave oscillation test. The results showed that RELAP5-3D has the capability to adequately represent these RBMK-related phenomena.

  7. Characterization of 3D Cirrus Cloud and Radiation Fields Using

    Office of Scientific and Technical Information (OSTI)

    ARS/AIRS/MODIS data and its Application to Climate Model (Technical Report) | SciTech Connect Characterization of 3D Cirrus Cloud and Radiation Fields Using ARS/AIRS/MODIS data and its Application to Climate Model Citation Details In-Document Search Title: Characterization of 3D Cirrus Cloud and Radiation Fields Using ARS/AIRS/MODIS data and its Application to Climate Model During the report period, we have made the following research accomplishments. First, we performed analysis for a

  8. Supercomputer Helps Model 3D Map of Adolescent Universe

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Supercomputer Helps Model 3D Map of Adolescent Universe Supercomputer Helps Model 3D Map of Adolescent Universe Researchers Demonstrate Novel Technique for High-Resolution Universe Maps October 17, 2014 Contact: Kate Greene, kgreene@lbl.gov, 510-486-4404 Using extremely faint light from galaxies 10.8 billion light years away, scientists have created one of the most complete, three-dimensional maps of a slice of the adolescent universe-just 3 billion years after the Big Bang. The map shows a web

  9. Making 3D Printed Christmas Ornaments | GE Global Research

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Making 3D Printed Christmas Ornaments Click to email this to a friend (Opens in new window) Share on Facebook (Opens in new window) Click to share (Opens in new window) Click to share on LinkedIn (Opens in new window) Click to share on Tumblr (Opens in new window) Making 3D Printed Christmas Ornaments Thomas The Elf 2011.12.20 Hi everybody! I am back again this year, bringing you some more holiday cheer from the GE Global Research labs! As an encore to the redesign of Santa's sleigh and

  10. Differences in growth properties of endometrial cancer in three dimensional (3D) culture and 2D cell monolayer

    SciTech Connect (OSTI)

    Chitcholtan, Kenny; Asselin, Eric; Parent, Sophie; Sykes, Peter H.; Evans, John J.

    2013-01-01

    Three-dimensional (3D) in vitro models have an invaluable role in understanding the behaviour of tumour cells in a well defined microenvironment. This is because some aspects of tumour characteristics cannot be fully recapitulated in a cell monolayer (2D). In the present study, we compared growth patterns, expression of signalling molecules, and metabolism-associated proteins of endometrial cancer cell lines in 3D and 2D cell cultures. Cancer cells formed spherical structures in 3D reconstituted basement membrane (3D rBM), and the morphological appearance was cell line dependent. Cell differentiation was observed after 8 days in the 3D rBM. There was reduced proliferation, detected by less expression of PCNA in 3D rBM than in 2D cell monolayers. The addition of exogenous epidermal growth factor (EGF) to cancer cells induced phosphorylation of EGFR and Akt in both cell culture conditions. The uptake of glucose was selectively altered in the 3D rBM, but there was a lack of association with Glut-1 expression. The secretion of vascular endothelial growth factor (VEGF) and prostaglandin E{sub 2} (PGE{sub 2}) was selectively altered in 3D rBM, and it was cell line dependent. Our data demonstrated that 3D rBM as an in vitro model can influence proliferation and metabolism of endometrial cancer cell behaviour compared to 2D cell monolayer. Changes are specific to individual cell types. The use of 3D rBM is, therefore, important in the in vitro study of targeted anticancer therapies.