primitive basis sets: Topics by Science.gov

Sample records for primitive basis sets

Basis set construction for molecular electronic structure theory: natural orbital and Gauss-Slater basis for smooth pseudopotentials.

PubMed

Petruzielo, F R; Toulouse, Julien; Umrigar, C J

2011-02-14

A simple yet general method for constructing basis sets for molecular electronic structure calculations is presented. These basis sets consist of atomic natural orbitals from a multiconfigurational self-consistent field calculation supplemented with primitive functions, chosen such that the asymptotics are appropriate for the potential of the system. Primitives are optimized for the homonuclear diatomic molecule to produce a balanced basis set. Two general features that facilitate this basis construction are demonstrated. First, weak coupling exists between the optimal exponents of primitives with different angular momenta. Second, the optimal primitive exponents for a chosen system depend weakly on the particular level of theory employed for optimization. The explicit case considered here is a basis set appropriate for the Burkatzki-Filippi-Dolg pseudopotentials. Since these pseudopotentials are finite at nuclei and have a Coulomb tail, the recently proposed Gauss-Slater functions are the appropriate primitives. Double- and triple-zeta bases are developed for elements hydrogen through argon. These new bases offer significant gains over the corresponding Burkatzki-Filippi-Dolg bases at various levels of theory. Using a Gaussian expansion of the basis functions, these bases can be employed in any electronic structure method. Quantum Monte Carlo provides an added benefit: expansions are unnecessary since the integrals are evaluated numerically.
Dimensional analysis using toric ideals: primitive invariants.

PubMed

Atherton, Mark A; Bates, Ronald A; Wynn, Henry P

2014-01-01

Classical dimensional analysis in its original form starts by expressing the units for derived quantities, such as force, in terms of power products of basic units [Formula: see text] etc. This suggests the use of toric ideal theory from algebraic geometry. Within this the Graver basis provides a unique primitive basis in a well-defined sense, which typically has more terms than the standard Buckingham approach. Some textbook examples are revisited and the full set of primitive invariants found. First, a worked example based on convection is introduced to recall the Buckingham method, but using computer algebra to obtain an integer [Formula: see text] matrix from the initial integer [Formula: see text] matrix holding the exponents for the derived quantities. The [Formula: see text] matrix defines the dimensionless variables. But, rather than this integer linear algebra approach it is shown how, by staying with the power product representation, the full set of invariants (dimensionless groups) is obtained directly from the toric ideal defined by [Formula: see text]. One candidate for the set of invariants is a simple basis of the toric ideal. This, although larger than the rank of [Formula: see text], is typically not unique. However, the alternative Graver basis is unique and defines a maximal set of invariants, which are primitive in a simple sense. In addition to the running example four examples are taken from: a windmill, convection, electrodynamics and the hydrogen atom. The method reveals some named invariants. A selection of computer algebra packages is used to show the considerable ease with which both a simple basis and a Graver basis can be found.
General contraction of Gaussian basis sets. II - Atomic natural orbitals and the calculation of atomic and molecular properties

NASA Technical Reports Server (NTRS)

Almlof, Jan; Taylor, Peter R.

1990-01-01

A recently proposed scheme for using natural orbitals from atomic configuration interaction wave functions as a basis set for linear combination of atomic orbitals (LCAO) calculations is extended for the calculation of molecular properties. For one-electron properties like multipole moments, which are determined largely by the outermost regions of the molecular wave function, it is necessary to increase the flexibility of the basis in these regions. This is most easily done by uncontracting the outermost Gaussian primitives, and/or by adding diffuse primitives. A similar approach can be employed for the calculation of polarizabilities. Properties which are not dominated by the long-range part of the wave function, such as spectroscopic constants or electric field gradients at the nucleus, can generally be treated satisfactorily with the original atomic natural orbital sets.
General contraction of Gaussian basis sets. Part 2: Atomic natural orbitals and the calculation of atomic and molecular properties

NASA Technical Reports Server (NTRS)

Almloef, Jan; Taylor, Peter R.

1989-01-01

A recently proposed scheme for using natural orbitals from atomic configuration interaction (CI) wave functions as a basis set for linear combination of atomic orbitals (LCAO) calculations is extended for the calculation of molecular properties. For one-electron properties like multipole moments, which are determined largely by the outermost regions of the molecular wave function, it is necessary to increase the flexibility of the basis in these regions. This is most easily done by uncontracting the outmost Gaussian primitives, and/or by adding diffuse primitives. A similar approach can be employed for the calculation of polarizabilities. Properties which are not dominated by the long-range part of the wave function, such as spectroscopic constants or electric field gradients at the nucleus, can generally be treated satisfactorily with the original atomic natural orbital (ANO) sets.
Basic primitives for molecular diagram sketching

PubMed Central

2010-01-01

A collection of primitive operations for molecular diagram sketching has been developed. These primitives compose a concise set of operations which can be used to construct publication-quality 2 D coordinates for molecular structures using a bare minimum of input bandwidth. The input requirements for each primitive consist of a small number of discrete choices, which means that these primitives can be used to form the basis of a user interface which does not require an accurate pointing device. This is particularly relevant to software designed for contemporary mobile platforms. The reduction of input bandwidth is accomplished by using algorithmic methods for anticipating probable geometries during the sketching process, and by intelligent use of template grafting. The algorithms and their uses are described in detail. PMID:20923555
Improved techniques for outgoing wave variational principle calculations of converged state-to-state transition probabilities for chemical reactions

NASA Technical Reports Server (NTRS)

Mielke, Steven L.; Truhlar, Donald G.; Schwenke, David W.

1991-01-01

Improved techniques and well-optimized basis sets are presented for application of the outgoing wave variational principle to calculate converged quantum mechanical reaction probabilities. They are illustrated with calculations for the reactions D + H2 yields HD + H with total angular momentum J = 3 and F + H2 yields HF + H with J = 0 and 3. The optimization involves the choice of distortion potential, the grid for calculating half-integrated Green's functions, the placement, width, and number of primitive distributed Gaussians, and the computationally most efficient partition between dynamically adapted and primitive basis functions. Benchmark calculations with 224-1064 channels are presented.
A Logical Basis In The Layered Computer Vision Systems Model

NASA Astrophysics Data System (ADS)

Tejwani, Y. J.

1986-03-01

In this paper a four layer computer vision system model is described. The model uses a finite memory scratch pad. In this model planar objects are defined as predicates. Predicates are relations on a k-tuple. The k-tuple consists of primitive points and relationship between primitive points. The relationship between points can be of the direct type or the indirect type. Entities are goals which are satisfied by a set of clauses. The grammar used to construct these clauses is examined.
Relativistic Prolapse-Free Gaussian Basis Sets of Quadruple-ζ Quality: (aug-)RPF-4Z. III. The f-Block Elements.

PubMed

Teodoro, Tiago Quevedo; Visscher, Lucas; da Silva, Albérico Borges Ferreira; Haiduke, Roberto Luiz Andrade

2017-03-14

The f-block elements are addressed in this third part of a series of prolapse-free basis sets of quadruple-ζ quality (RPF-4Z). Relativistic adapted Gaussian basis sets (RAGBSs) are used as primitive sets of functions while correlating/polarization (C/P) functions are chosen by analyzing energy lowerings upon basis set increments in Dirac-Coulomb multireference configuration interaction calculations with single and double excitations of the valence spinors. These function exponents are obtained by applying the RAGBS parameters in a polynomial expression. Moreover, through the choice of C/P characteristic exponents from functions of lower angular momentum spaces, a reduction in the computational demand is attained in relativistic calculations based on the kinetic balance condition. The present study thus complements the RPF-4Z sets for the whole periodic table (Z ≤ 118). The sets are available as Supporting Information and can also be found at http://basis-sets.iqsc.usp.br .
On the optimization of Gaussian basis sets

NASA Astrophysics Data System (ADS)

Petersson, George A.; Zhong, Shijun; Montgomery, John A.; Frisch, Michael J.

2003-01-01

A new procedure for the optimization of the exponents, αj, of Gaussian basis functions, Ylm(ϑ,φ)rle-αjr2, is proposed and evaluated. The direct optimization of the exponents is hindered by the very strong coupling between these nonlinear variational parameters. However, expansion of the logarithms of the exponents in the orthonormal Legendre polynomials, Pk, of the index, j: ln αj=∑k=0kmaxAkPk((2j-2)/(Nprim-1)-1), yields a new set of well-conditioned parameters, Ak, and a complete sequence of well-conditioned exponent optimizations proceeding from the even-tempered basis set (kmax=1) to a fully optimized basis set (kmax=Nprim-1). The error relative to the exact numerical self-consistent field limit for a six-term expansion is consistently no more than 25% larger than the error for the completely optimized basis set. Thus, there is no need to optimize more than six well-conditioned variational parameters, even for the largest sets of Gaussian primitives.
Core-core and core-valence correlation

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.

1988-01-01

The effect of (1s) core correlation on properties and energy separations was analyzed using full configuration-interaction (FCI) calculations. The Be 1 S - 1 P, the C 3 P - 5 S and CH+ 1 Sigma + or - 1 Pi separations, and CH+ spectroscopic constants, dipole moment and 1 Sigma + - 1 Pi transition dipole moment were studied. The results of the FCI calculations are compared to those obtained using approximate methods. In addition, the generation of atomic natural orbital (ANO) basis sets, as a method for contracting a primitive basis set for both valence and core correlation, is discussed. When both core-core and core-valence correlation are included in the calculation, no suitable truncated CI approach consistently reproduces the FCI, and contraction of the basis set is very difficult. If the (nearly constant) core-core correlation is eliminated, and only the core-valence correlation is included, CASSCF/MRCI approached reproduce the FCI results and basis set contraction is significantly easier.
Atomic Cholesky decompositions: a route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency.

PubMed

Aquilante, Francesco; Gagliardi, Laura; Pedersen, Thomas Bondo; Lindh, Roland

2009-04-21

Cholesky decomposition of the atomic two-electron integral matrix has recently been proposed as a procedure for automated generation of auxiliary basis sets for the density fitting approximation [F. Aquilante et al., J. Chem. Phys. 127, 114107 (2007)]. In order to increase computational performance while maintaining accuracy, we propose here to reduce the number of primitive Gaussian functions of the contracted auxiliary basis functions by means of a second Cholesky decomposition. Test calculations show that this procedure is most beneficial in conjunction with highly contracted atomic orbital basis sets such as atomic natural orbitals, and that the error resulting from the second decomposition is negligible. We also demonstrate theoretically as well as computationally that the locality of the fitting coefficients can be controlled by means of the decomposition threshold even with the long-ranged Coulomb metric. Cholesky decomposition-based auxiliary basis sets are thus ideally suited for local density fitting approximations.
Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency

NASA Astrophysics Data System (ADS)

Aquilante, Francesco; Gagliardi, Laura; Pedersen, Thomas Bondo; Lindh, Roland

2009-04-01

Cholesky decomposition of the atomic two-electron integral matrix has recently been proposed as a procedure for automated generation of auxiliary basis sets for the density fitting approximation [F. Aquilante et al., J. Chem. Phys. 127, 114107 (2007)]. In order to increase computational performance while maintaining accuracy, we propose here to reduce the number of primitive Gaussian functions of the contracted auxiliary basis functions by means of a second Cholesky decomposition. Test calculations show that this procedure is most beneficial in conjunction with highly contracted atomic orbital basis sets such as atomic natural orbitals, and that the error resulting from the second decomposition is negligible. We also demonstrate theoretically as well as computationally that the locality of the fitting coefficients can be controlled by means of the decomposition threshold even with the long-ranged Coulomb metric. Cholesky decomposition-based auxiliary basis sets are thus ideally suited for local density fitting approximations.
Coupled-cluster based basis sets for valence correlation calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Claudino, Daniel; Bartlett, Rodney J., E-mail: bartlett@qtp.ufl.edu; Gargano, Ricardo

Novel basis sets are generated that target the description of valence correlation in atoms H through Ar. The new contraction coefficients are obtained according to the Atomic Natural Orbital (ANO) procedure from CCSD(T) (coupled-cluster singles and doubles with perturbative triples correction) density matrices starting from the primitive functions of Dunning et al. [J. Chem. Phys. 90, 1007 (1989); ibid. 98, 1358 (1993); ibid. 100, 2975 (1993)] (correlation consistent polarized valence X-tuple zeta, cc-pVXZ). The exponents of the primitive Gaussian functions are subject to uniform scaling in order to ensure satisfaction of the virial theorem for the corresponding atoms. These newmore » sets, named ANO-VT-XZ (Atomic Natural Orbital Virial Theorem X-tuple Zeta), have the same number of contracted functions as their cc-pVXZ counterparts in each subshell. The performance of these basis sets is assessed by the evaluation of the contraction errors in four distinct computations: correlation energies in atoms, probing the density in different regions of space via 〈r{sup n}〉 (−3 ≤ n ≤ 3) in atoms, correlation energies in diatomic molecules, and the quality of fitting potential energy curves as measured by spectroscopic constants. All energy calculations with ANO-VT-QZ have contraction errors within “chemical accuracy” of 1 kcal/mol, which is not true for cc-pVQZ, suggesting some improvement compared to the correlation consistent series of Dunning and co-workers.« less
Model-Free Primitive-Based Iterative Learning Control Approach to Trajectory Tracking of MIMO Systems With Experimental Validation.

PubMed

Radac, Mircea-Bogdan; Precup, Radu-Emil; Petriu, Emil M

2015-11-01

This paper proposes a novel model-free trajectory tracking of multiple-input multiple-output (MIMO) systems by the combination of iterative learning control (ILC) and primitives. The optimal trajectory tracking solution is obtained in terms of previously learned solutions to simple tasks called primitives. The library of primitives that are stored in memory consists of pairs of reference input/controlled output signals. The reference input primitives are optimized in a model-free ILC framework without using knowledge of the controlled process. The guaranteed convergence of the learning scheme is built upon a model-free virtual reference feedback tuning design of the feedback decoupling controller. Each new complex trajectory to be tracked is decomposed into the output primitives regarded as basis functions. The optimal reference input for the control system to track the desired trajectory is next recomposed from the reference input primitives. This is advantageous because the optimal reference input is computed straightforward without the need to learn from repeated executions of the tracking task. In addition, the optimization problem specific to trajectory tracking of square MIMO systems is decomposed in a set of optimization problems assigned to each separate single-input single-output control channel that ensures a convenient model-free decoupling. The new model-free primitive-based ILC approach is capable of planning, reasoning, and learning. A case study dealing with the model-free control tuning for a nonlinear aerodynamic system is included to validate the new approach. The experimental results are given.
The structure and energetics of Cr(CO)6 and Cr(CO)5

NASA Technical Reports Server (NTRS)

Barnes, Leslie A.; Liu, Bowen; Lindh, Roland

1992-01-01

The geometric structure of Cr(CO)6 is optimized at the modified coupled pair functional (MCPF), single and double excitation coupled-cluster (CCSD) and CCSD(T) levels of theory (including a perturbational estimate for connected triple excitations), and the force constants for the totally symmetric representation are determined. The geometry of Cr(CO)5 is partially optimized at the MCPF, CCSD, and CCSD(T) levels of theory. Comparison with experimental data shows that the CCSD(T) method gives the best results for the structures and force constants, and that remaining errors are probably due to deficiencies in the one-particle basis sets used for CO. The total binding energies of Cr(CO)6 and Cr(CO)5 are also determined at the MCPF, CCSD, and CCSD(T) levels of theory. The CCSD(T) method gives a much larger total binding energy than either the MCPF or CCSD methods. An analysis of the basis set superposition error (BSSE) at the MCPF level of treatment points out limitations in the one-particle basis used. Calculations using larger basis sets reduce the BSSE, but the total binding energy of Cr(CO)6 is still significantly smaller than the experimental value, although the first CO bond dissociation energy of Cr(CO)6 is well described. An investigation of 3s3p correlation reveals only a small effect. In the largest basis set, the total CO binding energy of Cr(CO)6 is estimated to be 140 kcal/mol at the CCSD(T) level of theory, or about 86 percent of the experimental value. The remaining discrepancy between the experimental and theoretical value is probably due to limitations in the one-particle basis, rather than limitations in the correlation treatment. In particular an additional d function and an f function on each C and O are needed to obtain quantitative results. This is underscored by the fact that even using a very large primitive set (1042 primitive functions contracted to 300 basis functions), the superposition error for the total binding energy of Cr(CO)6 is 22 kcal/mol at the MCPF level of treatment.
Simplified DFT methods for consistent structures and energies of large systems

NASA Astrophysics Data System (ADS)

Caldeweyher, Eike; Gerit Brandenburg, Jan

2018-05-01

Kohn–Sham density functional theory (DFT) is routinely used for the fast electronic structure computation of large systems and will most likely continue to be the method of choice for the generation of reliable geometries in the foreseeable future. Here, we present a hierarchy of simplified DFT methods designed for consistent structures and non-covalent interactions of large systems with particular focus on molecular crystals. The covered methods are a minimal basis set Hartree–Fock (HF-3c), a small basis set screened exchange hybrid functional (HSE-3c), and a generalized gradient approximated functional evaluated in a medium-sized basis set (B97-3c), all augmented with semi-classical correction potentials. We give an overview on the methods design, a comprehensive evaluation on established benchmark sets for geometries and lattice energies of molecular crystals, and highlight some realistic applications on large organic crystals with several hundreds of atoms in the primitive unit cell.
The trace element chemistry of CaS in enstatite chondrites and some implications regarding its origin

NASA Technical Reports Server (NTRS)

Larimer, John W.; Ganapathy, R.

1987-01-01

The trace element distribution in oldhamite (CaS) extracted from enstatite chondrites was determined by INAA. Prior to extraction, the petrologic setting of the grains was studied microscopically, and their minor element contents determined by microprobe analysis; samples that displayed a wide range of minor element contents were selected for detailed elementary analysis. Those samples of CaS suspected to be more primitive on the basis of their minor element and petrologic siting contain the entire inventory of the host meteorite's light REE (LREE) and Eu, plus 30-50 percent of the heavy-REE inventory. In less primitive samples, the LREE are less enriched although Eu remains highly concentrated. Several other elements, including lithophiles and chalcophiles, are most enriched in the most primitive CaS. It is suggested that oldhamite played a key role in the redistribution of these elements during the metamorphism and evolution of enstatite-rich material.
The force on the flex: Global parallelism and portability

NASA Technical Reports Server (NTRS)

Jordan, H. F.

1986-01-01

A parallel programming methodology, called the force, supports the construction of programs to be executed in parallel by an unspecified, but potentially large, number of processes. The methodology was originally developed on a pipelined, shared memory multiprocessor, the Denelcor HEP, and embodies the primitive operations of the force in a set of macros which expand into multiprocessor Fortran code. A small set of primitives is sufficient to write large parallel programs, and the system has been used to produce 10,000 line programs in computational fluid dynamics. The level of complexity of the force primitives is intermediate. It is high enough to mask detailed architectural differences between multiprocessors but low enough to give the user control over performance. The system is being ported to a medium scale multiprocessor, the Flex/32, which is a 20 processor system with a mixture of shared and local memory. Memory organization and the type of processor synchronization supported by the hardware on the two machines lead to some differences in efficient implementations of the force primitives, but the user interface remains the same. An initial implementation was done by retargeting the macros to Flexible Computer Corporation's ConCurrent C language. Subsequently, the macros were caused to directly produce the system calls which form the basis for ConCurrent C. The implementation of the Fortran based system is in step with Flexible Computer Corporations's implementation of a Fortran system in the parallel environment.
Computational studies of metal-metal and metal-ligand interactions

NASA Technical Reports Server (NTRS)

Barnes, Leslie A.

1992-01-01

The geometric structure of Cr(CO)6 is optimized at the modified coupled-pair functional (MCPF), single and double excitation coupled-cluster (CCSD) and CCSD(T) levels of theory (including a perturbational estimate for connected triple excitations), and the force constants for the totally symmetric representation are determined. The geometry of Cr(CO)5 is partially optimized at the MCPF, CCSD and CCSD(T) levels of theory. Comparison with experimental data shows that the CCSD(T) method gives the best results for the structures and force constants, and that remaining errors are probably due to deficiencies in the one-particle basis sets used for CO. A detailed comparison of the properties of free CO is therefore given, at both the MCPF and CCSD/CCSD(T) levels of treatment, using a variety of basis sets. With very large one-particle basis sets, the SSCD(T) method gives excellent results for the bond distance, dipole moment and harmonic frequency of free CO. The total binding energies of Cr(CO)6 and Cr(CO)5 are also determined at the MCPF, CCSD and CCSD(T) levels of theory. The CCSD(T) method gives a much larger total binding energy than either the MCPF or CCSD methods. An analysis of the basis set superposition error (BSSE) at the MCPF level of treatment points out limitations in the one-particle basis used here and in a previous study. Calculations using larger basis sets reduced the BSSE, but the total binding energy of Cr(CO)6 is still significantly smaller than the experimental value, although the first CO bond dissociation energy of Cr(CO)6 is well described. An investigation of 3s3p correlation reveals only a small effect. The remaining discrepancy between the experimental and theoretical total binding energy of Cr(CO)6 is probably due to limitations in the one-particle basis, rather than limitations in the correlation treatment. In particular an additional d function and an f function on each C and O are needed to obtain quantitative results. This is underscored by the fact that even using a very large primitive se (1042 primitive functions contracted to 300 basis functions), the superposition error for the total binding energy of Cr(CO)6 is 22 kcal/mol at the MCPF level of treatment.
DOE Office of Scientific and Technical Information (OSTI.GOV)

McKemmish, Laura K., E-mail: laura.mckemmish@gmail.com; Research School of Chemistry, Australian National University, Canberra

Algorithms for the efficient calculation of two-electron integrals in the newly developed mixed ramp-Gaussian basis sets are presented, alongside a Fortran90 implementation of these algorithms, RAMPITUP. These new basis sets have significant potential to (1) give some speed-up (estimated at up to 20% for large molecules in fully optimised code) to general-purpose Hartree-Fock (HF) and density functional theory quantum chemistry calculations, replacing all-Gaussian basis sets, and (2) give very large speed-ups for calculations of core-dependent properties, such as electron density at the nucleus, NMR parameters, relativistic corrections, and total energies, replacing the current use of Slater basis functions or verymore » large specialised all-Gaussian basis sets for these purposes. This initial implementation already demonstrates roughly 10% speed-ups in HF/R-31G calculations compared to HF/6-31G calculations for large linear molecules, demonstrating the promise of this methodology, particularly for the second application. As well as the reduction in the total primitive number in R-31G compared to 6-31G, this timing advantage can be attributed to the significant reduction in the number of mathematically complex intermediate integrals after modelling each ramp-Gaussian basis-function-pair as a sum of ramps on a single atomic centre.« less

Scientific Terminology and Minimum Terms in Speech Communication: Some Philosophical Ramblings.

ERIC Educational Resources Information Center

Krivonos, Paul D.; Sussman, Lyle.

Philosophers of science have emphasized the need for primitive terms, or "givens," in the construction of theory for any discipline. While there are inherent dangers regarding the use of primitive terms, they can have great value in serving as the basis for minimum terms, which are primitive terms unique to a discipline. (Borrowed terms are those…
CLOUD PEAK CONTIGUOUS, ROCK CREEK, PINEY CREEK, AND LITTLE GOOSE ROADLESS AREAS, WYOMING.

USGS Publications Warehouse

Segerstrom, Kenneth; Brown, Don S.

1984-01-01

On the basis of mineral surveys, study areas surrounding the Cloud Peak Primitive Area in northern Wyoming offer little promise for the occurrence of mineral or energy resources. The geologic setting precludes the existence of deposits of organic fuels. Nonmetallic commodities, such as feldspar, limestone, building stone, clay, sand, and gravel are present, but these materials are readily available nearby in large quantities in more accessible areas.
Horizontal vectorization of electron repulsion integrals.

PubMed

Pritchard, Benjamin P; Chow, Edmond

2016-10-30

We present an efficient implementation of the Obara-Saika algorithm for the computation of electron repulsion integrals that utilizes vector intrinsics to calculate several primitive integrals concurrently in a SIMD vector. Initial benchmarks display a 2-4 times speedup with AVX instructions over comparable scalar code, depending on the basis set. Speedup over scalar code is found to be sensitive to the level of contraction of the basis set, and is best for (lAlB|lClD) quartets when lD = 0 or lB=lD=0, which makes such a vectorization scheme particularly suitable for density fitting. The basic Obara-Saika algorithm, how it is vectorized, and the performance bottlenecks are analyzed and discussed. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.
Geminal embedding scheme for optimal atomic basis set construction in correlated calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sorella, S., E-mail: sorella@sissa.it; Devaux, N.; Dagrada, M., E-mail: mario.dagrada@impmc.upmc.fr

2015-12-28

We introduce an efficient method to construct optimal and system adaptive basis sets for use in electronic structure and quantum Monte Carlo calculations. The method is based on an embedding scheme in which a reference atom is singled out from its environment, while the entire system (atom and environment) is described by a Slater determinant or its antisymmetrized geminal power (AGP) extension. The embedding procedure described here allows for the systematic and consistent contraction of the primitive basis set into geminal embedded orbitals (GEOs), with a dramatic reduction of the number of variational parameters necessary to represent the many-body wavemore » function, for a chosen target accuracy. Within the variational Monte Carlo method, the Slater or AGP part is determined by a variational minimization of the energy of the whole system in presence of a flexible and accurate Jastrow factor, representing most of the dynamical electronic correlation. The resulting GEO basis set opens the way for a fully controlled optimization of many-body wave functions in electronic structure calculation of bulk materials, namely, containing a large number of electrons and atoms. We present applications on the water molecule, the volume collapse transition in cerium, and the high-pressure liquid hydrogen.« less
Knowledge Based Synthesis of Efficient Structures for Concurrent Computation Using Fat-Trees and Pipelining.

DTIC Science & Technology

1986-12-31

synthesize synchronization skeletons"Science of Computer Programming 2, 1982, pp. 241-266 [Gel85] Gelernter, David, "Generative communication in...effective computation based on given primitives . An architecture is an abstract object-type, whose instances are computing systems. By a parallel computing...explaining the language primitives on this basis. We explain how such a basis can be "simpler" than a general-purpose manual-programming language such as
Modeling with Livingstone

NASA Technical Reports Server (NTRS)

Kurien, J.; Nayak, P.; Williams, B.; Koga, Dennis (Technical Monitor)

1998-01-01

MPL is the language with which a modeler describes a system to be diagnosed or controlled by Livingstone. MPL is used to specify what are the components of the system, how they are interconnected, and how they behave both nominally and when failed. Component behavioral models used by Livingstone are described by a set of propositional, well-formed formula (wff). An understanding of well-formed formula, primitive component types specified through defcomponent, and device structure specified by defmodule, is essential to understanding of MPL, This document describes: welI-formed formula (wff): The basis for describing the behavior of a component in a system defvalues: Specifies the domain (legal values) of a variable defcomponent: Defines the modes, behaviors and mode transitions for primitive components deftnodule: Defines composite devices, consisting of interconnected components defrelation: A macro mechanism for expanding a complex wff according to the value of an argument forall: An iteration construct used to expand a wff or relation on a set of arguments defsymbol-expansion: A mechanism for naming a collection of symbols (eg the name of all valves in the system)
The interacting correlated fragments model for weak interactions, basis set superposition error, and the helium dimer potential

NASA Astrophysics Data System (ADS)

Liu, B.; McLean, A. D.

1989-08-01

We report the LM-2 helium dimer interaction potential, from helium separations of 1.6 Å to dissociation, obtained by careful convergence studies with respect to configuration space, through a sequence of interacting correlated fragment (ICF) wave functions, and with respect to the primitive Slater-type basis used for orbital expansion. Parameters of the LM-2 potential are re=2.969 Å, rm=2.642 Å, and De=10.94 K, in near complete agreement with those of the best experimental potential of Aziz, McCourt, and Wong [Mol. Phys. 61, 1487 (1987)], which are re=2.963 Å, rm=2.637 Å, and De=10.95 K. The computationally estimated accuracy of each point on the potential is given; at re it is 0.03 K. Extrapolation procedures used to produce the LM-2 potential make use of the orbital basis inconsistency (OBI) and configuration base inconsistency (CBI) adjustments to separated fragment energies when computing the interaction energy. These components of basis set superposition error (BSSE) are given a full discussion.
A generalized geologic map of Mars.

NASA Technical Reports Server (NTRS)

Carr, M. H.; Masursky, H.; Saunders, R. S.

1973-01-01

A geologic map of Mars has been constructed largely on the basis of photographic evidence. Four classes of units are recognized: (1) primitive cratered terrain, (2) sparsely cratered volcanic eolian plains, (3) circular radially symmetric volcanic constructs such as shield volcanoes, domes, and craters, and (4) tectonic erosional units such as chaotic and channel deposits. Grabens are the main structural features; compressional and strike slip features are almost completely absent. Most grabens are part of a set radial to the main volcanic area, Tharsis.
Cartographic Modeling: Computer-assisted Analysis of Spatially Defined Neighborhoods

NASA Technical Reports Server (NTRS)

Berry, J. K.; Tomlin, C. D.

1982-01-01

Cartographic models addressing a wide variety of applications are composed of fundamental map processing operations. These primitive operations are neither data base nor application-specific. By organizing the set of operations into a mathematical-like structure, the basis for a generalized cartographic modeling framework can be developed. Among the major classes of primitive operations are those associated with reclassifying map categories, overlaying maps, determining distance and connectivity, and characterizing cartographic neighborhoods. The conceptual framework of cartographic modeling is established and techniques for characterizing neighborhoods are used as a means of demonstrating some of the more sophisticated procedures of computer-assisted map analysis. A cartographic model for assessing effective roundwood supply is briefly described as an example of a computer analysis. Most of the techniques described have been implemented as part of the map analysis package developed at the Yale School of Forestry and Environmental Studies.
Generalized compliant motion primitive

NASA Technical Reports Server (NTRS)

Backes, Paul G. (Inventor)

1994-01-01

This invention relates to a general primitive for controlling a telerobot with a set of input parameters. The primitive includes a trajectory generator; a teleoperation sensor; a joint limit generator; a force setpoint generator; a dither function generator, which produces telerobot motion inputs in a common coordinate frame for simultaneous combination in sensor summers. Virtual return spring motion input is provided by a restoration spring subsystem. The novel features of this invention include use of a single general motion primitive at a remote site to permit the shared and supervisory control of the robot manipulator to perform tasks via a remotely transferred input parameter set.
Theoretical investigation of gas-surface interactions

NASA Technical Reports Server (NTRS)

Dyall, Kenneth G.

1990-01-01

A Dirac-Hartree-Fock code was developed for polyatomic molecules. The program uses integrals over symmetry-adapted real spherical harmonic Gaussian basis functions generated by a modification of the MOLECULE integrals program. A single Gaussian function is used for the nuclear charge distribution, to ensure proper boundary conditions at the nuclei. The Gaussian primitive functions are chosen to satisfy the kinetic balance condition. However, contracted functions which do not necessarily satisfy this condition may be used. The Fock matrix is constructed in the scalar basis and transformed to a jj-coupled 2-spinor basis before diagonalization. The program was tested against numerical results for atoms with a Gaussian nucleus and diatomic molecules with point nuclei. The energies converge on the numerical values as the basis set size is increased. Full use of molecular symmetry (restricted to D sub 2h and subgroups) is yet to be implemented.
Design principles of a cooperative robot controller

NASA Technical Reports Server (NTRS)

Hayward, Vincent; Hayati, Samad

1987-01-01

The paper describes the design of a controller for cooperative robots being designed at McGill University in a collaborative effort with the Jet Propulsion Laboratory. The first part of the paper discusses the background and motivation for multiple arm control. Then, a set of programming primitives, which are based on the RCCL system and which permit a programmer to specify cooperative tasks are described. The first group of primitives are motion primitives which specify asynchronous motions, master/slave motions, and cooperative motions. In the context of cooperative robots, trajectory generation issues will be discussed and the implementation described. A second set of primitives provides for the specification of spatial relationships. The relations between programming and control in the case of multiple robot are examined. Finally, the paper describes the allocation of various tasks among a set of microprocessors sharing a common bus.
MACOP modular architecture with control primitives

PubMed Central

Waegeman, Tim; Hermans, Michiel; Schrauwen, Benjamin

2013-01-01

Walking, catching a ball and reaching are all tasks in which humans and animals exhibit advanced motor skills. Findings in biological research concerning motor control suggest a modular control hierarchy which combines movement/motor primitives into complex and natural movements. Engineers inspire their research on these findings in the quest for adaptive and skillful control for robots. In this work we propose a modular architecture with control primitives (MACOP) which uses a set of controllers, where each controller becomes specialized in a subregion of its joint and task-space. Instead of having a single controller being used in this subregion [such as MOSAIC (modular selection and identification for control) on which MACOP is inspired], MACOP relates more to the idea of continuously mixing a limited set of primitive controllers. By enforcing a set of desired properties on the mixing mechanism, a mixture of primitives emerges unsupervised which successfully solves the control task. We evaluate MACOP on a numerical model of a robot arm by training it to generate desired trajectories. We investigate how the tracking performance is affected by the number of controllers in MACOP and examine how the individual controllers and their generated control primitives contribute to solving the task. Furthermore, we show how MACOP compensates for the dynamic effects caused by a fixed control rate and the inertia of the robot. PMID:23888140
Circuit design tool. User's manual, revision 2

NASA Technical Reports Server (NTRS)

Miyake, Keith M.; Smith, Donald E.

1992-01-01

The CAM chip design was produced in a UNIX software environment using a design tool that supports definition of digital electronic modules, composition of these modules into higher level circuits, and event-driven simulation of these circuits. Our design tool provides an interface whose goals include straightforward but flexible primitive module definition and circuit composition, efficient simulation, and a debugging environment that facilitates design verification and alteration. The tool provides a set of primitive modules which can be composed into higher level circuits. Each module is a C-language subroutine that uses a set of interface protocols understood by the design tool. Primitives can be altered simply by recoding their C-code image; in addition new primitives can be added allowing higher level circuits to be described in C-code rather than as a composition of primitive modules--this feature can greatly enhance the speed of simulation.
First-principle modelling of forsterite surface properties: Accuracy of methods and basis sets.

PubMed

Demichelis, Raffaella; Bruno, Marco; Massaro, Francesco R; Prencipe, Mauro; De La Pierre, Marco; Nestola, Fabrizio

2015-07-15

The seven main crystal surfaces of forsterite (Mg2 SiO4 ) were modeled using various Gaussian-type basis sets, and several formulations for the exchange-correlation functional within the density functional theory (DFT). The recently developed pob-TZVP basis set provides the best results for all properties that are strongly dependent on the accuracy of the wavefunction. Convergence on the structure and on the basis set superposition error-corrected surface energy can be reached also with poorer basis sets. The effect of adopting different DFT functionals was assessed. All functionals give the same stability order for the various surfaces. Surfaces do not exhibit any major structural differences when optimized with different functionals, except for higher energy orientations where major rearrangements occur around the Mg sites at the surface or subsurface. When dispersions are not accounted for, all functionals provide similar surface energies. The inclusion of empirical dispersions raises the energy of all surfaces by a nearly systematic value proportional to the scaling factor s of the dispersion formulation. An estimation for the surface energy is provided through adopting C6 coefficients that are more suitable than the standard ones to describe O-O interactions in minerals. A 2 × 2 supercell of the most stable surface (010) was optimized. No surface reconstruction was observed. The resulting structure and surface energy show no difference with respect to those obtained when using the primitive cell. This result validates the (010) surface model here adopted, that will serve as a reference for future studies on adsorption and reactivity of water and carbon dioxide at this interface. © 2015 Wiley Periodicals, Inc.
KSOS Computer Program Development Specifications (Type B-5). (Kernelized Secure Operating System). I. Security Kernel (CDRL 0002AF). II. UNIX Emulator (CDRL 0002AG). III. Security-Related Software (CDRL 0002AH).

DTIC Science & Technology

1980-12-01

Commun- ications Corporation, Palo Alto, CA (March 1978). g. [Walter at al. 74] Walter, K.G. et al., " Primitive Models for Computer .. Security", ESD-TR...discussion is followed by a presenta- tion of the Kernel primitive operations upon these objects. All Kernel objects shall be referenced by a common...set of sizes. All process segments, regardless of domain, shall be manipulated by the same set of Kernel segment primitives . User domain segments
Using Abstraction in Explicity Parallel Programs.

DTIC Science & Technology

1991-07-01

However, we only rely on sequential consistency of memory operations. includ- ing reads. writes and any synchronization primitives provided by the...explicit synchronization primitives . This demonstrates the practical power of sequentially consistent memory, as opposed to weaker models of memory that...a small set of synchronization primitives , all pro- cedures have non-waiting specifications. This is in contrast to richer process-oriented
Semantically-Sensitive Macroprocessing

DTIC Science & Technology

1989-12-15

constr uct for protecting critical regions. Given the synchronization primitives P and V, we might implement the following transformation, where...By this we mean that the semantic model for the base language provides a primitive set of concepts, represented by data types and operations...the gener- ation of a (dynamic-) semantically equivalent program fragment ultimately expressible in terms of built-in primitives . Note that static
Deuterium enrichment in the primitive ices of the protosolar nebula

NASA Technical Reports Server (NTRS)

Lutz, Barry L.; Owen, Tobias; De Bergh, Catherine

1990-01-01

On the basis of CH3D/CH4-ratio observations in the outer planets, the present effort to estimate the D/H ratio of the protosolar nebula's primitive ices arrives at two simple, yet effectively limiting models which constrain the degree of dilution undergone by deuterated volatiles through mixing with the initial hydrogen envelopes. These volatiles would have been contributed to planetary atmospheres by evaporated primordial ices. Ice D/H ratio model results of 0.0001 to 0.001 are compared with values for other potentially primitive material-containing bodies in the solar system, as well as with D/H ratio values from interstellar polyatomic molecules.
Utilization of group theory in studies of molecular clusters

NASA Astrophysics Data System (ADS)

Ocak, Mahir E.

The structure of the molecular symmetry group of molecular clusters was analyzed and it is shown that the molecular symmetry group of a molecular cluster can be written as direct products and semidirect products of its subgroups. Symmetry adaptation of basis functions in direct product groups and semidirect product groups was considered in general and the sequential symmetry adaptation procedure which is already known for direct product groups was extended to the case of semidirect product groups. By using the sequential symmetry adaptation procedure a new method for calculating the VRT spectra of molecular clusters which is named as Monomer Basis Representation (MBR) method is developed. In the MBR method, calculations starts with a single monomer with the purpose of obtaining an optimized basis for that monomer as a linear combination of some primitive basis functions. Then, an optimized basis for each identical monomer is generated from the optimized basis of this monomer. By using the optimized bases of the monomers, a basis is generated generated for the solution of the full problem, and the VRT spectra of the cluster is obtained by using this basis. Since an optimized basis is used for each monomer which has a much smaller size than the primitive basis from which the optimized bases are generated, the MBR method leads to an exponential optimization in the size of the basis that is required for the calculations. Application of the MBR method has been illustrated by calculating the VRT spectra of water dimer by using the SAPT-5st potential surface of Groenenboom et al. The rest of the calculations are in good agreement with both the original calculations of Groenenboom et al. and also with the experimental results. Comparing the size of the optimized basis with the size of the primitive basis, it can be said that the method works efficiently. Because of its efficiency, the MBR method can be used for studies of clusters bigger than dimers. Thus, MBR method can be used for studying the many-body terms and for deriving accurate potential surfaces.

An efficient basis set representation for calculating electrons in molecules

DOE PAGES

Jones, Jeremiah R.; Rouet, Francois -Henry; Lawler, Keith V.; ...

2016-04-27

The method of McCurdy, Baertschy, and Rescigno, is generalised to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules. It uses a basis set of product sinc functions arrayed on a Cartesian grid, and yields 1 kcal/mol precision for valence transition energies with a grid resolution of approximately 0.1 bohr. The Coulomb matrix elements are replaced with matrix elements obtained from the kinetic energy operator. A resolution-of-the-identity approximation renders the primitive one- and two-electron matrix elements diagonal; in other words, the Coulomb operator is local with respect to the grid indices. Themore » calculation of contracted two-electron matrix elements among orbitals requires only O( Nlog (N)) multiplication operations, not O( N 4), where N is the number of basis functions; N = n 3 on cubic grids. The representation not only is numerically expedient, but also produces energies and properties superior to those calculated variationally. Absolute energies, absorption cross sections, transition energies, and ionisation potentials are reported for 1- (He +, H + 2), 2- (H 2, He), 10- (CH 4), and 56-electron (C 8H 8) systems.« less
The logical primitives of thought: Empirical foundations for compositional cognitive models.

PubMed

Piantadosi, Steven T; Tenenbaum, Joshua B; Goodman, Noah D

2016-07-01

The notion of a compositional language of thought (LOT) has been central in computational accounts of cognition from earliest attempts (Boole, 1854; Fodor, 1975) to the present day (Feldman, 2000; Penn, Holyoak, & Povinelli, 2008; Fodor, 2008; Kemp, 2012; Goodman, Tenenbaum, & Gerstenberg, 2015). Recent modeling work shows how statistical inferences over compositionally structured hypothesis spaces might explain learning and development across a variety of domains. However, the primitive components of such representations are typically assumed a priori by modelers and theoreticians rather than determined empirically. We show how different sets of LOT primitives, embedded in a psychologically realistic approximate Bayesian inference framework, systematically predict distinct learning curves in rule-based concept learning experiments. We use this feature of LOT models to design a set of large-scale concept learning experiments that can determine the most likely primitives for psychological concepts involving Boolean connectives and quantification. Subjects' inferences are most consistent with a rich (nonminimal) set of Boolean operations, including first-order, but not second-order, quantification. Our results more generally show how specific LOT theories can be distinguished empirically. (PsycINFO Database Record (c) 2016 APA, all rights reserved).
Abstract-Reasoning Software for Coordinating Multiple Agents

NASA Technical Reports Server (NTRS)

Clement, Bradley; Barrett, Anthony; Rabideau, Gregg; Knight, Russell

2003-01-01

A computer program for scheduling the activities of multiple agents that share limited resources has been incorporated into the Automated Scheduling and Planning Environment (ASPEN) software system, aspects of which have been reported in several previous NASA Tech Briefs articles. In the original intended application, the agents would be multiple spacecraft and/or robotic vehicles engaged in scientific exploration of distant planets. The program could also be used on Earth in such diverse settings as production lines and military maneuvers. This program includes a planning/scheduling subprogram of the iterative repair type that reasons about the activities of multiple agents at abstract levels in order to greatly improve the scheduling of their use of shared resources. The program summarizes the information about the constraints on, and resource requirements of, abstract activities on the basis of the constraints and requirements that pertain to their potential refinements (decomposition into less-abstract and ultimately to primitive activities). The advantage of reasoning about summary information is that time needed to find consistent schedules is exponentially smaller than the time that would be needed for reasoning about the same tasks at the primitive level.
A novel class sensitive hashing technique for large-scale content-based remote sensing image retrieval

NASA Astrophysics Data System (ADS)

Reato, Thomas; Demir, Begüm; Bruzzone, Lorenzo

2017-10-01

This paper presents a novel class sensitive hashing technique in the framework of large-scale content-based remote sensing (RS) image retrieval. The proposed technique aims at representing each image with multi-hash codes, each of which corresponds to a primitive (i.e., land cover class) present in the image. To this end, the proposed method consists of a three-steps algorithm. The first step is devoted to characterize each image by primitive class descriptors. These descriptors are obtained through a supervised approach, which initially extracts the image regions and their descriptors that are then associated with primitives present in the images. This step requires a set of annotated training regions to define primitive classes. A correspondence between the regions of an image and the primitive classes is built based on the probability of each primitive class to be present at each region. All the regions belonging to the specific primitive class with a probability higher than a given threshold are highly representative of that class. Thus, the average value of the descriptors of these regions is used to characterize that primitive. In the second step, the descriptors of primitive classes are transformed into multi-hash codes to represent each image. This is achieved by adapting the kernel-based supervised locality sensitive hashing method to multi-code hashing problems. The first two steps of the proposed technique, unlike the standard hashing methods, allow one to represent each image by a set of primitive class sensitive descriptors and their hash codes. Then, in the last step, the images in the archive that are very similar to a query image are retrieved based on a multi-hash-code-matching scheme. Experimental results obtained on an archive of aerial images confirm the effectiveness of the proposed technique in terms of retrieval accuracy when compared to the standard hashing methods.
Evaluating structural pattern recognition for handwritten math via primitive label graphs

NASA Astrophysics Data System (ADS)

Zanibbi, Richard; MoucheÌre, Harold; Viard-Gaudin, Christian

2013-01-01

Currently, structural pattern recognizer evaluations compare graphs of detected structure to target structures (i.e. ground truth) using recognition rates, recall and precision for object segmentation, classification and relationships. In document recognition, these target objects (e.g. symbols) are frequently comprised of multiple primitives (e.g. connected components, or strokes for online handwritten data), but current metrics do not characterize errors at the primitive level, from which object-level structure is obtained. Primitive label graphs are directed graphs defined over primitives and primitive pairs. We define new metrics obtained by Hamming distances over label graphs, which allow classification, segmentation and parsing errors to be characterized separately, or using a single measure. Recall and precision for detected objects may also be computed directly from label graphs. We illustrate the new metrics by comparing a new primitive-level evaluation to the symbol-level evaluation performed for the CROHME 2012 handwritten math recognition competition. A Python-based set of utilities for evaluating, visualizing and translating label graphs is publicly available.
Hydrostatic calculations of axisymmetric flow and its stability for the AGCE model

NASA Technical Reports Server (NTRS)

Miller, T. L.; Gall, R. L.

1981-01-01

Baroclinic waves in the atmospherics general circulation experiment (AGCE) apparatus by the use of numerical hydrostatic primitive equation models were determined. The calculation is accomplished by using an axisymmetric primitive equation model to compute, for a given set of experimental parameters, a steady state axisymmetric flow and then testing this axisymmetric flow for stability using a linear primitive equation model. Some axisymmetric flows are presented together with preliminary stability calculations.
Advanced Robotics for In-Space Vehicle Processing

NASA Technical Reports Server (NTRS)

Smith, Jeffrey H.; Estus, Jay; Heneghan, Cate; Bosley, John

1990-01-01

An analysis of spaceborne vehicle processing is described. Generic crew-EVA tasks are presented for a specific vehicle, the orbital maneuvering vehicle (OMV), with general implications to other on-orbit vehicles. The OMV is examined with respect to both servicing and maintenance. Crew-EVA activities are presented by task and mapped to a common set of generic crew-EVA primitives to identify high-demand areas for telerobot services. Similarly, a set of telerobot primitives is presented that can be used to model telerobot actions for alternative telerobot reference configurations. The telerobot primitives are tied to technologies and used for composting telerobot operations for an automated refueling scenario. Telerobotics technology issues and design accomodation guidelines (hooks and scars) for the Space Station Freedom are described.
A Simulation System Based on the Actor Paradigm

DTIC Science & Technology

1988-02-01

of the protocol. Shared memory communication requires the programmer to wait and signal semaphores explicitly to synchronize the communicating parties...wide range of possibilities within the same basic protocol. - The simplicity of the primitive operation set affords those creating new operations...more flexibility (Ada has a large and complicated primitive set). -3- II I I I B A I -I I I I I . 0 1 2 3 4 5 Time 0: Both processes A and B are
The Grammar of Mental Predicates in Japanese.

ERIC Educational Resources Information Center

Onishi, Masayuki

1997-01-01

Examines Japanese equivalents of the six mental predicates defined as semantic universals in Natural Semantic Metalanguage theory, with special attention to syntax and semantics of complementation types. It is shown that each primitive predicate has a specific set of syntactic frames for expressing primitive meaning and that extended meanings that…
Compositionality in neural control: an interdisciplinary study of scribbling movements in primates

PubMed Central

Abeles, Moshe; Diesmann, Markus; Flash, Tamar; Geisel, Theo; Herrmann, Michael; Teicher, Mina

2013-01-01

This article discusses the compositional structure of hand movements by analyzing and modeling neural and behavioral data obtained from experiments where a monkey (Macaca fascicularis) performed scribbling movements induced by a search task. Using geometrically based approaches to movement segmentation, it is shown that the hand trajectories are composed of elementary segments that are primarily parabolic in shape. The segments could be categorized into a small number of classes on the basis of decreasing intra-class variance over the course of training. A separate classification of the neural data employing a hidden Markov model showed a coincidence of the neural states with the behavioral categories. An additional analysis of both types of data by a data mining method provided evidence that the neural activity patterns underlying the behavioral primitives were formed by sets of specific and precise spike patterns. A geometric description of the movement trajectories, together with precise neural timing data indicates a compositional variant of a realistic synfire chain model. This model reproduces the typical shapes and temporal properties of the trajectories; hence the structure and composition of the primitives may reflect meaningful behavior. PMID:24062679
Advanced automation for in-space vehicle processing

NASA Technical Reports Server (NTRS)

Sklar, Michael; Wegerif, D.

1990-01-01

The primary objective of this 3-year planned study is to assure that the fully evolved Space Station Freedom (SSF) can support automated processing of exploratory mission vehicles. Current study assessments show that required extravehicular activity (EVA) and to some extent intravehicular activity (IVA) manpower requirements for required processing tasks far exceeds the available manpower. Furthermore, many processing tasks are either hazardous operations or they exceed EVA capability. Thus, automation is essential for SSF transportation node functionality. Here, advanced automation represents the replacement of human performed tasks beyond the planned baseline automated tasks. Both physical tasks such as manipulation, assembly and actuation, and cognitive tasks such as visual inspection, monitoring and diagnosis, and task planning are considered. During this first year of activity both the Phobos/Gateway Mars Expedition and Lunar Evolution missions proposed by the Office of Exploration have been evaluated. A methodology for choosing optimal tasks to be automated has been developed. Processing tasks for both missions have been ranked on the basis of automation potential. The underlying concept in evaluating and describing processing tasks has been the use of a common set of 'Primitive' task descriptions. Primitive or standard tasks have been developed both for manual or crew processing and automated machine processing.
A knowledge based system for scientific data visualization

NASA Technical Reports Server (NTRS)

Senay, Hikmet; Ignatius, Eve

1992-01-01

A knowledge-based system, called visualization tool assistant (VISTA), which was developed to assist scientists in the design of scientific data visualization techniques, is described. The system derives its knowledge from several sources which provide information about data characteristics, visualization primitives, and effective visual perception. The design methodology employed by the system is based on a sequence of transformations which decomposes a data set into a set of data partitions, maps this set of partitions to visualization primitives, and combines these primitives into a composite visualization technique design. Although the primary function of the system is to generate an effective visualization technique design for a given data set by using principles of visual perception the system also allows users to interactively modify the design, and renders the resulting image using a variety of rendering algorithms. The current version of the system primarily supports visualization techniques having applicability in earth and space sciences, although it may easily be extended to include other techniques useful in other disciplines such as computational fluid dynamics, finite-element analysis and medical imaging.
Sparse approximation of currents for statistics on curves and surfaces.

PubMed

Durrleman, Stanley; Pennec, Xavier; Trouvé, Alain; Ayache, Nicholas

2008-01-01

Computing, processing, visualizing statistics on shapes like curves or surfaces is a real challenge with many applications ranging from medical image analysis to computational geometry. Modelling such geometrical primitives with currents avoids feature-based approach as well as point-correspondence method. This framework has been proved to be powerful to register brain surfaces or to measure geometrical invariants. However, if the state-of-the-art methods perform efficiently pairwise registrations, new numerical schemes are required to process groupwise statistics due to an increasing complexity when the size of the database is growing. Statistics such as mean and principal modes of a set of shapes often have a heavy and highly redundant representation. We propose therefore to find an adapted basis on which mean and principal modes have a sparse decomposition. Besides the computational improvement, this sparse representation offers a way to visualize and interpret statistics on currents. Experiments show the relevance of the approach on 34 sets of 70 sulcal lines and on 50 sets of 10 meshes of deep brain structures.
Speech perception at the interface of neurobiology and linguistics.

PubMed

Poeppel, David; Idsardi, William J; van Wassenhove, Virginie

2008-03-12

Speech perception consists of a set of computations that take continuously varying acoustic waveforms as input and generate discrete representations that make contact with the lexical representations stored in long-term memory as output. Because the perceptual objects that are recognized by the speech perception enter into subsequent linguistic computation, the format that is used for lexical representation and processing fundamentally constrains the speech perceptual processes. Consequently, theories of speech perception must, at some level, be tightly linked to theories of lexical representation. Minimally, speech perception must yield representations that smoothly and rapidly interface with stored lexical items. Adopting the perspective of Marr, we argue and provide neurobiological and psychophysical evidence for the following research programme. First, at the implementational level, speech perception is a multi-time resolution process, with perceptual analyses occurring concurrently on at least two time scales (approx. 20-80 ms, approx. 150-300 ms), commensurate with (sub)segmental and syllabic analyses, respectively. Second, at the algorithmic level, we suggest that perception proceeds on the basis of internal forward models, or uses an 'analysis-by-synthesis' approach. Third, at the computational level (in the sense of Marr), the theory of lexical representation that we adopt is principally informed by phonological research and assumes that words are represented in the mental lexicon in terms of sequences of discrete segments composed of distinctive features. One important goal of the research programme is to develop linking hypotheses between putative neurobiological primitives (e.g. temporal primitives) and those primitives derived from linguistic inquiry, to arrive ultimately at a biologically sensible and theoretically satisfying model of representation and computation in speech.
Learning multivariate distributions by competitive assembly of marginals.

PubMed

Sánchez-Vega, Francisco; Younes, Laurent; Geman, Donald

2013-02-01

We present a new framework for learning high-dimensional multivariate probability distributions from estimated marginals. The approach is motivated by compositional models and Bayesian networks, and designed to adapt to small sample sizes. We start with a large, overlapping set of elementary statistical building blocks, or "primitives," which are low-dimensional marginal distributions learned from data. Each variable may appear in many primitives. Subsets of primitives are combined in a Lego-like fashion to construct a probabilistic graphical model; only a small fraction of the primitives will participate in any valid construction. Since primitives can be precomputed, parameter estimation and structure search are separated. Model complexity is controlled by strong biases; we adapt the primitives to the amount of training data and impose rules which restrict the merging of them into allowable compositions. The likelihood of the data decomposes into a sum of local gains, one for each primitive in the final structure. We focus on a specific subclass of networks which are binary forests. Structure optimization corresponds to an integer linear program and the maximizing composition can be computed for reasonably large numbers of variables. Performance is evaluated using both synthetic data and real datasets from natural language processing and computational biology.
Petrology of basaltic sills from ocean drilling program sites 794 and 797 in the Yamato Basin of the Japan Sea

NASA Technical Reports Server (NTRS)

Thy, P.

1992-01-01

The basaltic sills from ocean drilling program sites 794 and 797 in the Yamato Basin of the Japan Sea are characterized petrographically on the basis of a detailed study of the composition of relict phenocryst and groundmass phases. The systematic variation in the rock compositions is discussed. Results of 1-atm melting experiments on a relatively primitive basalt from site 797 are reported. The sills are found to constitute two distinct groups of suites: primitive, olivine-bearing suites with low potassium and primitive olivine-bearing to evolved, olivine-free suites with relatively high potassium. A pseudoinvariant reaction relationship between olivine and augite and magnetite is inferred. Complex magmatic and tectonic evolutions in the region, perhaps reflecting a transitional stage between subduction zone activity and back arc spreading, are suggested.
Using Spatial-Temporal Primitives to Improve Geographic Skills for Preservice Teachers

ERIC Educational Resources Information Center

Kaufman, Martin M.

2004-01-01

An exercise to help improve the geographic skills of preservice teachers was developed and tested during a six year period on over 500 students. The exercise required these students to map two arrangements of roads and facilities within a small neighborhood. A set of special-temporal primitives (place, size, shape, distance, direction,…
Physically Unclonable Cryptographic Primitives by Chemical Vapor Deposition of Layered MoS2.

PubMed

Alharbi, Abdullah; Armstrong, Darren; Alharbi, Somayah; Shahrjerdi, Davood

2017-12-26

Physically unclonable cryptographic primitives are promising for securing the rapidly growing number of electronic devices. Here, we introduce physically unclonable primitives from layered molybdenum disulfide (MoS 2 ) by leveraging the natural randomness of their island growth during chemical vapor deposition (CVD). We synthesize a MoS 2 monolayer film covered with speckles of multilayer islands, where the growth process is engineered for an optimal speckle density. Using the Clark-Evans test, we confirm that the distribution of islands on the film exhibits complete spatial randomness, hence indicating the growth of multilayer speckles is a spatial Poisson process. Such a property is highly desirable for constructing unpredictable cryptographic primitives. The security primitive is an array of 2048 pixels fabricated from this film. The complex structure of the pixels makes the physical duplication of the array impossible (i.e., physically unclonable). A unique optical response is generated by applying an optical stimulus to the structure. The basis for this unique response is the dependence of the photoemission on the number of MoS 2 layers, which by design is random throughout the film. Using a threshold value for the photoemission, we convert the optical response into binary cryptographic keys. We show that the proper selection of this threshold is crucial for maximizing combination randomness and that the optimal value of the threshold is linked directly to the growth process. This study reveals an opportunity for generating robust and versatile security primitives from layered transition metal dichalcogenides.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Meijne, E.I.; van der Winden-van Groenewegen, R.J.; Ploemacher, R.E.

The sensitivity for x-irradiation of a series of hematopoietic stem cell populations has been determined. The most primitive cells identified, cells with marrow-repopulating ability (MRA), showed the highest degree of radioresistance. These MRA cells which generate many secondary day-twelve spleen colony-forming units (MRA(CFU-S-12)) or colony-forming units in culture (MRA(CFU-C)) in the marrow of primary recipients had Do values equal to 1.18 and 1.13 Gy, respectively. The more mature CFU-S-12 had intermediate radiosensitivity (Do = 0.94 Gy), whereas the less primitive CFU-S-7 were the most radiosensitive (Do = 0.71 Gy). The in vitro colony-forming precursor cells (CFU-C) showed low radiosensitivity. Thesemore » data clearly show that the most primitive hematopoietic stem cell measured is less sensitive to ionizing radiation than generally has been assumed on the basis of measurements on CFU-S-7 or CFU-S-12.« less
A model for the enantiomeric enrichment of polypeptides on the primitive earth

NASA Technical Reports Server (NTRS)

Blair, N. E.; Bonner, W. A.

1981-01-01

A potential model is presented for the origin of optical activity in polypeptides on the primitive earth due to enantiomeric enrichment in succeeding polymerization-hydrolysis cycles. The model was developed in experiments with the polymerization of a DL-leucine N-carboxyanhydride mixture with a 31.2% enantiomeric excess of the L isomer with sodium methoxide initiator to yield a polyleucine product which was in turn partially hydrolyzed by acid. The polymerization-hydrolysis was found to produce a net 23.8% increase in the enantiomeric excess of the remaining unhydrolyzed polypeptide (14.2% from the polymerization and 9.6% from the partial hydrolysis). On the basis of these results, it is suggested that a slight excess produced by an appropriate chiral physical process may be enhanced by cycles of stereoselective polymerization and hydrolysis driven by fluctuating wet and dry environmental cycles on the primitive earth.

Exploiting replication in distributed systems

NASA Technical Reports Server (NTRS)

Birman, Kenneth P.; Joseph, T. A.

1989-01-01

Techniques are examined for replicating data and execution in directly distributed systems: systems in which multiple processes interact directly with one another while continuously respecting constraints on their joint behavior. Directly distributed systems are often required to solve difficult problems, ranging from management of replicated data to dynamic reconfiguration in response to failures. It is shown that these problems reduce to more primitive, order-based consistency problems, which can be solved using primitives such as the reliable broadcast protocols. Moreover, given a system that implements reliable broadcast primitives, a flexible set of high-level tools can be provided for building a wide variety of directly distributed application programs.
Symbolic Dynamics and Grammatical Complexity

NASA Astrophysics Data System (ADS)

Hao, Bai-Lin; Zheng, Wei-Mou

The following sections are included: * Formal Languages and Their Complexity * Formal Language * Chomsky Hierarchy of Grammatical Complexity * The L-System * Regular Language and Finite Automaton * Finite Automaton * Regular Language * Stefan Matrix as Transfer Function for Automaton * Beyond Regular Languages * Feigenbaum and Generalized Feigenbaum Limiting Sets * Even and Odd Fibonacci Sequences * Odd Maximal Primitive Prefixes and Kneading Map * Even Maximal Primitive Prefixes and Distinct Excluded Blocks * Summary of Results
What is a photon?

NASA Astrophysics Data System (ADS)

Kracklauer, A. F.

2015-09-01

The linguistic and epistemological constraints on finding and expressing an answer to the title question are reviewed. First, it is recalled that "fields" are defined in terms of their effect on "test charges" and not in terms of any, even idealistically considered, primary, native innate qualities of their own. Thus, before fields can be discussed, the theorist has to have already available a defined "test particle" and field source. Clearly, neither the test nor the engendering particles can be defined as elements of the considered field without redefining the term "field." Further, the development of a theory as a logical structure (i.e., an internally self consistent conceptual complex) entails that the subject(s) of the theory (the primitive elements) and the rules governing their interrelationships (axioms) cannot be deduced by any logical procedure. They are always hypothesized on the basis of intuition supported by empirical experience. Given hypothesized primitive elements and axioms it is possible, in principle, to test for the 'completion' of the axiom set (i.e., any addition introduces redundancy) and for self consistency. Thus, theory building is limited to establishing the self consistency of a theory's mathematical expression and comparing that with the external, ontic world. Finally, a classical model with an event-by-event simulation of an EPR-B experiment to test a Bell Inequality is described. This model leads to a violation of Bell's limit without any quantum input (no nonlocal interaction nor entanglement), thus substantiating previous critical analysis of the derivation of Bell inequalities. On the basis of this result, it can be concluded that the electromagnetic interaction possesses no preternatural aspects, and that the usual models in terms of waves, fields and photons are all just imaginary constructs with questionable relation to a presumed reality.
Biometric verification in dynamic writing

NASA Astrophysics Data System (ADS)

George, Susan E.

2002-03-01

Pen-tablet devices capable of capturing the dynamics of writing record temporal and pressure information as well as the spatial pattern. This paper explores biometric verification based upon the dynamics of writing where writers are distinguished not on the basis of what they write (ie the signature), but how they write. We have collected samples of dynamic writing from 38 Chinese writers. Each writer was asked to provide 10 copies of a paragraph of text and the same number of signature samples. From the data we have extracted stroke-based primitives from the sentence data utilizing pen-up/down information and heuristic rules about the shape of the character. The x, y and pressure values of each primitive were interpolated into an even temporal range based upon a 20 msec sampling rate. We applied the Daubechies 1 wavelet transform to the x signal, y signal and pressure signal using the coefficients as inputs to a multi-layer perceptron trained with back-propagation on the sentence data. We found a sensitivity of 0.977 and specificity of 0.990 recognizing writers based on test primitives extracted from sentence data and measures of 0.916 and 0.961 respectively, from test primitives extracted from signature data.
Cyclic Mario worlds — color-decomposition for one-loop QCD

NASA Astrophysics Data System (ADS)

Kälin, Gregor

2018-04-01

We present a new color decomposition for QCD amplitudes at one-loop level as a generalization of the Del Duca-Dixon-Maltoni and Johansson-Ochirov decomposition at tree level. Starting from a minimal basis of planar primitive amplitudes we write down a color decomposition that is free of linear dependencies among appearing primitive amplitudes or color factors. The conjectured decomposition applies to any number of quark flavors and is independent of the choice of gauge group and matter representation. The results also hold for higher-dimensional or supersymmetric extensions of QCD. We provide expressions for any number of external quark-antiquark pairs and gluons. [Figure not available: see fulltext.
MicroRNAs Associated with Caste Determination and Differentiation in a Primitively Eusocial Insect

PubMed Central

Collins, David H.; Mohorianu, Irina; Beckers, Matthew; Moulton, Vincent; Dalmay, Tamas; Bourke, Andrew F. G.

2017-01-01

In eusocial Hymenoptera (ants, bees and wasps), queen and worker adult castes typically arise via environmental influences. A fundamental challenge is to understand how a single genome can thereby produce alternative phenotypes. A powerful approach is to compare the molecular basis of caste determination and differentiation along the evolutionary trajectory between primitively and advanced eusocial species, which have, respectively, relatively undifferentiated and strongly differentiated adult castes. In the advanced eusocial honeybee, Apis mellifera, studies suggest that microRNAs (miRNAs) play an important role in the molecular basis of caste determination and differentiation. To investigate how miRNAs affect caste in eusocial evolution, we used deep sequencing and Northern blots to isolate caste-associated miRNAs in the primitively eusocial bumblebee Bombus terrestris. We found that the miRNAs Bte-miR-6001-5p and -3p are more highly expressed in queen- than in worker-destined late-instar larvae. These are the first caste-associated miRNAs from outside advanced eusocial Hymenoptera, so providing evidence for caste-associated miRNAs occurring relatively early in eusocial evolution. Moreover, we found little evidence that miRNAs previously shown to be associated with caste in A. mellifera were differentially expressed across caste pathways in B. terrestris, suggesting that, in eusocial evolution, the caste-associated role of individual miRNAs is not conserved. PMID:28361900
A coherent discrete variable representation method on a sphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Hua -Gen

Here, the coherent discrete variable representation (ZDVR) has been extended for construct- ing a multidimensional potential-optimized DVR basis on a sphere. In order to deal with the non-constant Jacobian in spherical angles, two direct product primitive basis methods are proposed so that the original ZDVR technique can be properly implemented. The method has been demonstrated by computing the lowest states of a two dimensional (2D) vibrational model. Results show that the extended ZDVR method gives accurate eigenval- ues and exponential convergence with increasing ZDVR basis size.
A coherent discrete variable representation method on a sphere

DOE PAGES

Yu, Hua -Gen

2017-09-05

Here, the coherent discrete variable representation (ZDVR) has been extended for construct- ing a multidimensional potential-optimized DVR basis on a sphere. In order to deal with the non-constant Jacobian in spherical angles, two direct product primitive basis methods are proposed so that the original ZDVR technique can be properly implemented. The method has been demonstrated by computing the lowest states of a two dimensional (2D) vibrational model. Results show that the extended ZDVR method gives accurate eigenval- ues and exponential convergence with increasing ZDVR basis size.
Language Issues in Mobile Program Security

DTIC Science & Technology

1998-01-01

primitives for instance synchronous operations Nondeterminism and Privacy Now suppose we introduce nondeterminism via a simple concurrent language...code setting is that the only observable events are those that can be observed from within a mobile program using language primitives and any host...Possibilistic NI is given in It uses a main thread and two triggered threads each with a busy wait loop implementing a semaphore to copy every bit of
The DISCUS Hardware System,

DTIC Science & Technology

1982-07-01

blocks. DISCUS has no form of hardware synchronisation between the processors. The only synchronisation is at an operating system level. ;ach processor is... operations in global store so that semaphoring on global objects can be done correctly. Write Protect is used by the operating system for read-only...the appropriate operating system program. String Handling primitives . The Z8000 has a rich set of string primitives . However as we saw before if a
Execution time supports for adaptive scientific algorithms on distributed memory machines

NASA Technical Reports Server (NTRS)

Berryman, Harry; Saltz, Joel; Scroggs, Jeffrey

1990-01-01

Optimizations are considered that are required for efficient execution of code segments that consists of loops over distributed data structures. The PARTI (Parallel Automated Runtime Toolkit at ICASE) execution time primitives are designed to carry out these optimizations and can be used to implement a wide range of scientific algorithms on distributed memory machines. These primitives allow the user to control array mappings in a way that gives an appearance of shared memory. Computations can be based on a global index set. Primitives are used to carry out gather and scatter operations on distributed arrays. Communications patterns are derived at runtime, and the appropriate send and receive messages are automatically generated.
Execution time support for scientific programs on distributed memory machines

NASA Technical Reports Server (NTRS)

Berryman, Harry; Saltz, Joel; Scroggs, Jeffrey

1990-01-01

Optimizations are considered that are required for efficient execution of code segments that consists of loops over distributed data structures. The PARTI (Parallel Automated Runtime Toolkit at ICASE) execution time primitives are designed to carry out these optimizations and can be used to implement a wide range of scientific algorithms on distributed memory machines. These primitives allow the user to control array mappings in a way that gives an appearance of shared memory. Computations can be based on a global index set. Primitives are used to carry out gather and scatter operations on distributed arrays. Communications patterns are derived at runtime, and the appropriate send and receive messages are automatically generated.
Deictic primitives for general purpose navigation

NASA Technical Reports Server (NTRS)

Crismann, Jill D.

1994-01-01

A visually-based deictic primative used as an elementary command set for general purpose navigation was investigated. It was shown that a simple 'follow your eyes' scenario is sufficient for tracking a moving target. Limitations of velocity, acceleration, and modeling of the response of the mechanical systems were enforced. Realistic paths of the robots were produced during the simulation. Scientists could remotely command a planetary rover to go to a particular rock formation that may be interesting. Similarly an expert at plant maintenance could obtain diagnostic information remotely by using deictic primitives on a mobile are used in the deictic primitives, we could imagine that the exact same control software could be used for all of these applications.
A method of plane geometry primitive presentation

NASA Astrophysics Data System (ADS)

Jiao, Anbo; Luo, Haibo; Chang, Zheng; Hui, Bin

2014-11-01

Point feature and line feature are basic elements in object feature sets, and they play an important role in object matching and recognition. On one hand, point feature is sensitive to noise; on the other hand, there are usually a huge number of point features in an image, which makes it complex for matching. Line feature includes straight line segment and curve. One difficulty in straight line segment matching is the uncertainty of endpoint location, the other is straight line segment fracture problem or short straight line segments joined to form long straight line segment. While for the curve, in addition to the above problems, there is another difficulty in how to quantitatively describe the shape difference between curves. Due to the problems of point feature and line feature, the robustness and accuracy of target description will be affected; in this case, a method of plane geometry primitive presentation is proposed to describe the significant structure of an object. Firstly, two types of primitives are constructed, they are intersecting line primitive and blob primitive. Secondly, a line segment detector (LSD) is applied to detect line segment, and then intersecting line primitive is extracted. Finally, robustness and accuracy of the plane geometry primitive presentation method is studied. This method has a good ability to obtain structural information of the object, even if there is rotation or scale change of the object in the image. Experimental results verify the robustness and accuracy of this method.
Conservative multimodal management of a primitive neuroectodermal tumor of the thyroid.

PubMed

Natale, Romain; Thariat, Juliette; Vedrine, Pierre Olivier; Bozec, Alex; Peyrottes, Isabelle; Marcy, Pierre Yves; Haudebourg, Juliette; Pedeutour, Florence; Saâda, Esma; Thyss, Antoine

2013-04-15

Primitive neuroectodermal tumors (PNET) represent 1% of sarcomas. Head and neck peripheral PNETs have an intermediate prognosis between abdominopelvic disease and extremities. We here report the case of a 40-year old male who presented with primitive neuroectodermal tumor of the thyroid and was treated by multimodal treatment, including surgery, chemotherapy and intermediate dose radiotherapy. The patient is alive and fit with a functional larynx at 27 months. Multimodal treatments yield five-year survival rates of about 60%. Major drug regimens use vincristine, doxorubicin, ifosfamide or cyclophosphamide, dactinomycin and/or etoposide. Complete surgical excision is undertaken whenever possible to improve long-term survival. However, the relative radiosensitivity of tumors of the Ewing family, suggest multimodal treatment including adjuvant conformal radiotherapy in case of positive margins or poor response to chemotherapy rather than resection with 2-3 cm margins, which would imply laryngeal sacrifice for thyroid tumors. The role of expert rare tumor networks is crucial for optimal decision-making and management of such rare tumors on a case by case basis.
SPANISH PEAKS PRIMITIVE AREA, MONTANA.

USGS Publications Warehouse

Calkins, James A.; Pattee, Eldon C.

1984-01-01

A mineral survey of the Spanish Peaks Primitive Area, Montana, disclosed a small low-grade deposit of demonstrated chromite and asbestos resources. The chances for discovery of additional chrome resources are uncertain and the area has little promise for the occurrence of other mineral or energy resources. A reevaluation, sampling at depth, and testing for possible extensions of the Table Mountain asbestos and chromium deposit should be undertaken in the light of recent interpretations regarding its geologic setting.
The primitive code and repeats of base oligomers as the primordial protein-encoding sequence.

PubMed Central

Ohno, S; Epplen, J T

1983-01-01

Even if the prebiotic self-replication of nucleic acids and the subsequent emergence of primitive, enzyme-independent tRNAs are accepted as plausible, the origin of life by spontaneous generation still appears improbable. This is because the just-emerged primitive translational machinery had to cope with base sequences that were not preselected for their coding potentials. Particularly if the primitive mitochondria-like code with four chain-terminating base triplets preceded the universal code, the translation of long, randomly generated, base sequences at this critical stage would have merely resulted in the production of short oligopeptides instead of long polypeptide chains. We present the base sequence of a mouse transcript containing tetranucleotide repeats conserved during evolution. Even if translated in accordance with the primitive mitochondria-like code, this transcript in its three reading frames can yield 245-, 246-, and 251-residue-long tetrapeptidic periodical polypeptides that are already acquiring longer periodicities. We contend that the first set of base sequences translated at the beginning of life were such oligonucleotide repeats. By quickly acquiring longer periodicities, their products must have soon gained characteristic secondary structures--alpha-helical or beta-sheet or both. PMID:6574491
Graphical Means for Inspecting Qualitative Models of System Behaviour

ERIC Educational Resources Information Center

Bouwer, Anders; Bredeweg, Bert

2010-01-01

This article presents the design and evaluation of a tool for inspecting conceptual models of system behaviour. The basis for this research is the Garp framework for qualitative simulation. This framework includes modelling primitives, such as entities, quantities and causal dependencies, which are combined into model fragments and scenarios.…
Technical design and system implementation of region-line primitive association framework

NASA Astrophysics Data System (ADS)

Wang, Min; Xing, Jinjin; Wang, Jie; Lv, Guonian

2017-08-01

Apart from regions, image edge lines are an important information source, and they deserve more attention in object-based image analysis (OBIA) than they currently receive. In the region-line primitive association framework (RLPAF), we promote straight-edge lines as line primitives to achieve powerful OBIAs. Along with regions, straight lines become basic units for subsequent extraction and analysis of OBIA features. This study develops a new software system called remote-sensing knowledge finder (RSFinder) to implement RLPAF for engineering application purposes. This paper introduces the extended technical framework, a comprehensively designed feature set, key technology, and software implementation. To our knowledge, RSFinder is the world's first OBIA system based on two types of primitives, namely, regions and lines. It is fundamentally different from other well-known region-only-based OBIA systems, such as eCogntion and ENVI feature extraction module. This paper has important reference values for the development of similarly structured OBIA systems and line-involved extraction algorithms of remote sensing information.
Cartesian oval representation of freeform optics in illumination systems.

PubMed

Michaelis, D; Schreiber, P; Bräuer, A

2011-03-15

The geometrical method for constructing optical surfaces for illumination purpose developed by Oliker and co-workers [Trends in Nonlinear Analysis (Springer, 2003)] is generalized in order to obtain freeform designs in arbitrary optical systems. The freeform is created by a set of primitive surface elements, which are generalized Cartesian ovals adapted to the given optical system. Those primitives are determined by Hamiltonian theory of ray optics. The potential of this approach is demonstrated by some examples, e.g., freeform lenses with collimating front elements.

The Nature and Origin of Interplanetary Dust: High Temperature Components

NASA Technical Reports Server (NTRS)

Keller, L. P.; Messenger, S.

2004-01-01

The specific parent bodies of individual interplanetary dust particles (IDPs) are un-known, but the anhydrous chondritic-porous (CP) sub-set has been linked directly to cometary sources [1]. The CP IDPs escaped the thermal processing and water-rock interactions that have severely modified or destroyed the original mineralogy of primitive meteorites. Their origin in the outer regions of the solar system suggests they should retain primitive chemical and physical characteristics from the earliest stages of solar system formation (including abundant presolar materials). Indeed, CP IDPs are the most primitive extraterrestrial materials available for laboratory studies based on their unequilibrated mineralogy [2], high concentrations of carbon, nitrogen and volatile trace elements relative to CI chondrites [3, 4, 5], presolar hydrogen and nitrogen isotopic signatures [6, 7] and abundant presolar silicates [8].
Olivine-hosted melt inclusions record efficient mixing of mantle melts in continental flood basalt provinces

NASA Astrophysics Data System (ADS)

Jennings, E. S.; Gibson, S. A.; Maclennan, J.; Heinonen, J. S.

2017-12-01

Primitive melt inclusions trapped in various minerals found in global ridge settings have been shown to record highly variable magmatic compositions. Mantle melting is expected to be near-fractional, producing a wide range of melt compositions that must accumulate and mix in crustal magma chambers. In primitive rocks, the melt inclusion variability observed in major, trace and isotope geochemistry is consistent to the first order with partial melting of variably depleted mantle, and indicate that the host phases began to crystallise prior to the completion of melt aggregation and mixing. We present new major and trace element data from a large number of rehomogenised olivine-hosted melt inclusions from the Cretaceous Paraná-Etendeka and Jurassic Karoo continental flood basalt (CFB) provinces [1]. We show that the major element chemistry of the melt inclusions can be severely disrupted by the rehomogenisation process and, as a consequence, their initial compositions cannot easily be back-calculated. However, despite the age of the samples, the trace element geochemistry of the melt inclusions is well-preserved. Despite coming from near-liquidus olivines from primitive picrites and ferropicrites, the inclusions are remarkably homogeneous; none of the anticipated variability in incompatible trace element compositions is observed. When considered alongside literature data, it appears that variability in primitive melts - as recorded by melt inclusions - is low in CFBs and OIBs relative to ridge settings, e.g. Iceland. We suggest that the tectonic setting imposes a control on the mixing of mantle melts: hot, plume-derived melts generated beneath relatively thick lithosphere may be prone to efficient mixing, perhaps due to their low viscosity, long transport pathways, and/or a superliquidus emplacement temperature [1]. This interpretation is supported by the almost non-existent variability of olivine-hosted inclusions from ferropicrite samples: these magmas represents the deepest, hottest and lowest viscosity magma of all the samples considered. [1] Jennings E. S., Gibson S. A., Maclennan J. and Heinonen J. S. (2017) Deep mixing of mantle melts beneath continental flood basalt provinces: Constraints from olivine-hosted melt inclusions in primitive magmas. Geochimica et Cosmochimica Acta 196, 36-57.
The "Primitive Mode of Representation" and the Evolution of Interactive Multimedia.

ERIC Educational Resources Information Center

Plowman, Lydia

1994-01-01

Findings from fieldwork analyzing children's use of four interactive multimedia programs are compared with a description of early film features and used as the basis to consider problems faced by an audience encountering a nascent medium. Methods adopted to facilitate understanding of films and their suitability for adaptation to multimedia…
Linguistic Diversity in a Deaf Prison Population: Implications for Due Process

ERIC Educational Resources Information Center

Miller, Katrina R.

2004-01-01

The entire deaf prison population in the state of Texas formed the basis for this research. The linguistic skills of prison inmates were assessed using the following measures: (1) Kannapell's categories of bilingualism, (2) adaptation of the diagnostic criteria for Primitive Personality Disorder, (3) reading scores on the Test of Adult Basic…
Fission-fusion and lineal effect: aspects of the population structure of the Semai Senoi of Malaysia.

PubMed

Fix, A G

1975-09-01

Analysis of histories and genealogies from seven relatively unacculturated, swidden-farming Semai settlements shows that the composition of local groups fluctuates through time. This instability is similar to a pattern which Neel and his colleagues have suggested is typical of primitive society, the fission-fusion model. In addition, the individuals comprising Semai fission groups are kinsmen which implies that the number of independent genomes represented is markedly less than the number of individual migrants (the lineal effect). Fission groups may form new villages or fuse with an established settlement. In either case, the genetic effects of such migration are more pronounced than would be expected on the basis of founder effect or random migration. Despite several conspicuous differences in social organization between the Semai and the South American Indians (e.g., bilateral vs. unilineal descent) whose population structure provided the empirical basis for the fission-fusion, lineal effect model, the basic similarities are striking. The Semai case thus lends support to the proposition that this pattern may be of some generality in technologically primitive populations.
Space of symmetry matrices with elements 0, ±1 and complete geometric description; its properties and application.

PubMed

Stróż, Kazimierz

2011-09-01

A fixed set, that is the set of all lattice metrics corresponding to the arithmetic holohedry of a primitive lattice, is a natural tool for keeping track of the symmetry changes that may occur in a deformable lattice [Ericksen (1979). Arch. Rat. Mech. Anal. 72, 1-13; Michel (1995). Symmetry and Structural Properties of Condensed Matter, edited by T. Lulek, W. Florek & S. Walcerz. Singapore: Academic Press; Pitteri & Zanzotto (1996). Acta Cryst. A52, 830-838; and references quoted therein]. For practical applications it is desirable to limit the infinite number of arithmetic holohedries, and simplify their classification and construction of the fixed sets. A space of 480 matrices with cyclic consecutive powers, determinant 1, elements from {0, ±1} and geometric description were analyzed and offered as the framework for dealing with the symmetry of reduced lattices. This matrix space covers all arithmetic holohedries of primitive lattice descriptions related to the three shortest lattice translations in direct or reciprocal spaces, and corresponds to the unique list of 39 fixed points with integer coordinates in six-dimensional space of lattice metrics. Matrices are presented by the introduced dual symbol, which sheds some light on the lattice and its symmetry-related properties, without further digging into matrices. By the orthogonal lattice distortion the lattice group-subgroup relations are easily predicted. It was proven and exemplified that new symbols enable classification of lattice groups on an absolute basis, without metric considerations. In contrast to long established but sophisticated methods for assessing the metric symmetry of a lattice, simple filtering of the symmetry operations from the predefined set is proposed. It is concluded that the space of symmetry matrices with elements from {0, ±1} is the natural environment of lattice symmetries related to the reduced cells and that complete geometric characterization of matrices in the arithmetic holohedry provides a useful tool for solving practical lattice-related problems, especially in the context of lattice deformation. © 2011 International Union of Crystallography
Quantifying chain reptation in entangled polymer melts: Topological and dynamical mapping of atomistic simulation results onto the tube model

NASA Astrophysics Data System (ADS)

Stephanou, Pavlos S.; Baig, Chunggi; Tsolou, Georgia; Mavrantzas, Vlasis G.; Kröger, Martin

2010-03-01

The topological state of entangled polymers has been analyzed recently in terms of primitive paths which allowed obtaining reliable predictions of the static (statistical) properties of the underlying entanglement network for a number of polymer melts. Through a systematic methodology that first maps atomistic molecular dynamics (MD) trajectories onto time trajectories of primitive chains and then documents primitive chain motion in terms of a curvilinear diffusion in a tubelike region around the coarse-grained chain contour, we are extending these static approaches here even further by computing the most fundamental function of the reptation theory, namely, the probability ψ(s,t) that a segment s of the primitive chain remains inside the initial tube after time t, accounting directly for contour length fluctuations and constraint release. The effective diameter of the tube is independently evaluated by observing tube constraints either on atomistic displacements or on the displacement of primitive chain segments orthogonal to the initial primitive path. Having computed the tube diameter, the tube itself around each primitive path is constructed by visiting each entanglement strand along the primitive path one after the other and approximating it by the space of a small cylinder having the same axis as the entanglement strand itself and a diameter equal to the estimated effective tube diameter. Reptation of the primitive chain longitudinally inside the effective constraining tube as well as local transverse fluctuations of the chain driven mainly from constraint release and regeneration mechanisms are evident in the simulation results; the latter causes parts of the chains to venture outside their average tube surface for certain periods of time. The computed ψ(s,t) curves account directly for both of these phenomena, as well as for contour length fluctuations, since all of them are automatically captured in the atomistic simulations. Linear viscoelastic properties such as the zero shear rate viscosity and the spectra of storage and loss moduli obtained on the basis of the obtained ψ(s,t) curves for three different polymer melts (polyethylene, cis-1,4-polybutadiene, and trans-1,4-polybutadiene) are consistent with experimental rheological data and in qualitative agreement with the double reptation and dual constraint models. The new methodology is general and can be routinely applied to analyze primitive path dynamics and chain reptation in atomistic trajectories (accumulated through long MD simulations) of other model polymers or polymeric systems (e.g., bidisperse, branched, grafted, etc.); it is thus believed to be particularly useful in the future in evaluating proposed tube models and developing more accurate theories for entangled systems.
Evolvable Neural Software System

NASA Technical Reports Server (NTRS)

Curtis, Steven A.

2009-01-01

The Evolvable Neural Software System (ENSS) is composed of sets of Neural Basis Functions (NBFs), which can be totally autonomously created and removed according to the changing needs and requirements of the software system. The resulting structure is both hierarchical and self-similar in that a given set of NBFs may have a ruler NBF, which in turn communicates with other sets of NBFs. These sets of NBFs may function as nodes to a ruler node, which are also NBF constructs. In this manner, the synthetic neural system can exhibit the complexity, three-dimensional connectivity, and adaptability of biological neural systems. An added advantage of ENSS over a natural neural system is its ability to modify its core genetic code in response to environmental changes as reflected in needs and requirements. The neural system is fully adaptive and evolvable and is trainable before release. It continues to rewire itself while on the job. The NBF is a unique, bilevel intelligence neural system composed of a higher-level heuristic neural system (HNS) and a lower-level, autonomic neural system (ANS). Taken together, the HNS and the ANS give each NBF the complete capabilities of a biological neural system to match sensory inputs to actions. Another feature of the NBF is the Evolvable Neural Interface (ENI), which links the HNS and ANS. The ENI solves the interface problem between these two systems by actively adapting and evolving from a primitive initial state (a Neural Thread) to a complicated, operational ENI and successfully adapting to a training sequence of sensory input. This simulates the adaptation of a biological neural system in a developmental phase. Within the greater multi-NBF and multi-node ENSS, self-similar ENI s provide the basis for inter-NBF and inter-node connectivity.
Cross-domain expression recognition based on sparse coding and transfer learning

NASA Astrophysics Data System (ADS)

Yang, Yong; Zhang, Weiyi; Huang, Yong

2017-05-01

Traditional facial expression recognition methods usually assume that the training set and the test set are independent and identically distributed. However, in actual expression recognition applications, the conditions of independent and identical distribution are hardly satisfied for the training set and test set because of the difference of light, shade, race and so on. In order to solve this problem and improve the performance of expression recognition in the actual applications, a novel method based on transfer learning and sparse coding is applied to facial expression recognition. First of all, a common primitive model, that is, the dictionary is learnt. Then, based on the idea of transfer learning, the learned primitive pattern is transferred to facial expression and the corresponding feature representation is obtained by sparse coding. The experimental results in CK +, JAFFE and NVIE database shows that the transfer learning based on sparse coding method can effectively improve the expression recognition rate in the cross-domain expression recognition task and is suitable for the practical facial expression recognition applications.
Evolution, functions, and mysteries of plant ARGONAUTE proteins.

PubMed

Zhang, Han; Xia, Rui; Meyers, Blake C; Walbot, Virginia

2015-10-01

ARGONAUTE (AGO) proteins bind small RNAs (sRNAs) to form RNA-induced silencing complexes for transcriptional and post-transcriptional gene silencing. Genomes of primitive plants encode only a few AGO proteins. The Arabidopsis thaliana genome encodes ten AGO proteins, designated AGO1 to AGO10. Most early studies focused on these ten proteins and their interacting sRNAs. AGOs in other flowering plant species have duplicated and diverged from this set, presumably corresponding to new, diverged or specific functions. Among these, the grass-specific AGO18 family has been discovered and implicated as playing important roles during plant reproduction and viral defense. This review covers our current knowledge about functions and features of AGO proteins in both eudicots and monocots and compares their similarities and differences. On the basis of these features, we propose a new nomenclature for some plant AGOs. Copyright © 2015 Elsevier Ltd. All rights reserved.
Centralized Networks to Generate Human Body Motions

PubMed Central

Vakulenko, Sergei; Radulescu, Ovidiu; Morozov, Ivan

2017-01-01

We consider continuous-time recurrent neural networks as dynamical models for the simulation of human body motions. These networks consist of a few centers and many satellites connected to them. The centers evolve in time as periodical oscillators with different frequencies. The center states define the satellite neurons’ states by a radial basis function (RBF) network. To simulate different motions, we adjust the parameters of the RBF networks. Our network includes a switching module that allows for turning from one motion to another. Simulations show that this model allows us to simulate complicated motions consisting of many different dynamical primitives. We also use the model for learning human body motion from markers’ trajectories. We find that center frequencies can be learned from a small number of markers and can be transferred to other markers, such that our technique seems to be capable of correcting for missing information resulting from sparse control marker settings. PMID:29240694
Centralized Networks to Generate Human Body Motions.

PubMed

Vakulenko, Sergei; Radulescu, Ovidiu; Morozov, Ivan; Weber, Andres

2017-12-14

We consider continuous-time recurrent neural networks as dynamical models for the simulation of human body motions. These networks consist of a few centers and many satellites connected to them. The centers evolve in time as periodical oscillators with different frequencies. The center states define the satellite neurons' states by a radial basis function (RBF) network. To simulate different motions, we adjust the parameters of the RBF networks. Our network includes a switching module that allows for turning from one motion to another. Simulations show that this model allows us to simulate complicated motions consisting of many different dynamical primitives. We also use the model for learning human body motion from markers' trajectories. We find that center frequencies can be learned from a small number of markers and can be transferred to other markers, such that our technique seems to be capable of correcting for missing information resulting from sparse control marker settings.
Toward a self-organizing pre-symbolic neural model representing sensorimotor primitives.

PubMed

Zhong, Junpei; Cangelosi, Angelo; Wermter, Stefan

2014-01-01

The acquisition of symbolic and linguistic representations of sensorimotor behavior is a cognitive process performed by an agent when it is executing and/or observing own and others' actions. According to Piaget's theory of cognitive development, these representations develop during the sensorimotor stage and the pre-operational stage. We propose a model that relates the conceptualization of the higher-level information from visual stimuli to the development of ventral/dorsal visual streams. This model employs neural network architecture incorporating a predictive sensory module based on an RNNPB (Recurrent Neural Network with Parametric Biases) and a horizontal product model. We exemplify this model through a robot passively observing an object to learn its features and movements. During the learning process of observing sensorimotor primitives, i.e., observing a set of trajectories of arm movements and its oriented object features, the pre-symbolic representation is self-organized in the parametric units. These representational units act as bifurcation parameters, guiding the robot to recognize and predict various learned sensorimotor primitives. The pre-symbolic representation also accounts for the learning of sensorimotor primitives in a latent learning context.
Toward a self-organizing pre-symbolic neural model representing sensorimotor primitives

PubMed Central

Zhong, Junpei; Cangelosi, Angelo; Wermter, Stefan

2014-01-01

The acquisition of symbolic and linguistic representations of sensorimotor behavior is a cognitive process performed by an agent when it is executing and/or observing own and others' actions. According to Piaget's theory of cognitive development, these representations develop during the sensorimotor stage and the pre-operational stage. We propose a model that relates the conceptualization of the higher-level information from visual stimuli to the development of ventral/dorsal visual streams. This model employs neural network architecture incorporating a predictive sensory module based on an RNNPB (Recurrent Neural Network with Parametric Biases) and a horizontal product model. We exemplify this model through a robot passively observing an object to learn its features and movements. During the learning process of observing sensorimotor primitives, i.e., observing a set of trajectories of arm movements and its oriented object features, the pre-symbolic representation is self-organized in the parametric units. These representational units act as bifurcation parameters, guiding the robot to recognize and predict various learned sensorimotor primitives. The pre-symbolic representation also accounts for the learning of sensorimotor primitives in a latent learning context. PMID:24550798
The language of geometry: Fast comprehension of geometrical primitives and rules in human adults and preschoolers.

PubMed

Amalric, Marie; Wang, Liping; Pica, Pierre; Figueira, Santiago; Sigman, Mariano; Dehaene, Stanislas

2017-01-01

During language processing, humans form complex embedded representations from sequential inputs. Here, we ask whether a "geometrical language" with recursive embedding also underlies the human ability to encode sequences of spatial locations. We introduce a novel paradigm in which subjects are exposed to a sequence of spatial locations on an octagon, and are asked to predict future locations. The sequences vary in complexity according to a well-defined language comprising elementary primitives and recursive rules. A detailed analysis of error patterns indicates that primitives of symmetry and rotation are spontaneously detected and used by adults, preschoolers, and adult members of an indigene group in the Amazon, the Munduruku, who have a restricted numerical and geometrical lexicon and limited access to schooling. Furthermore, subjects readily combine these geometrical primitives into hierarchically organized expressions. By evaluating a large set of such combinations, we obtained a first view of the language needed to account for the representation of visuospatial sequences in humans, and conclude that they encode visuospatial sequences by minimizing the complexity of the structured expressions that capture them.
The language of geometry: Fast comprehension of geometrical primitives and rules in human adults and preschoolers

PubMed Central

Amalric, Marie; Wang, Liping; Figueira, Santiago; Sigman, Mariano; Dehaene, Stanislas

2017-01-01

During language processing, humans form complex embedded representations from sequential inputs. Here, we ask whether a “geometrical language” with recursive embedding also underlies the human ability to encode sequences of spatial locations. We introduce a novel paradigm in which subjects are exposed to a sequence of spatial locations on an octagon, and are asked to predict future locations. The sequences vary in complexity according to a well-defined language comprising elementary primitives and recursive rules. A detailed analysis of error patterns indicates that primitives of symmetry and rotation are spontaneously detected and used by adults, preschoolers, and adult members of an indigene group in the Amazon, the Munduruku, who have a restricted numerical and geometrical lexicon and limited access to schooling. Furthermore, subjects readily combine these geometrical primitives into hierarchically organized expressions. By evaluating a large set of such combinations, we obtained a first view of the language needed to account for the representation of visuospatial sequences in humans, and conclude that they encode visuospatial sequences by minimizing the complexity of the structured expressions that capture them. PMID:28125595
Towards Cohomology of Renormalization: Bigrading the Combinatorial Hopf Algebra of Rooted Trees

NASA Astrophysics Data System (ADS)

Broadhurst, D. J.; Kreimer, D.

The renormalization of quantum field theory twists the antipode of a noncocommutative Hopf algebra of rooted trees, decorated by an infinite set of primitive divergences. The Hopf algebra of undecorated rooted trees, ℌR, generated by a single primitive divergence, solves a universal problem in Hochschild cohomology. It has two nontrivial closed Hopf subalgebras: the cocommutative subalgebra ℌladder of pure ladder diagrams and the Connes-Moscovici noncocommutative subalgebra ℌCM of noncommutative geometry. These three Hopf algebras admit a bigrading by n, the number of nodes, and an index k that specifies the degree of primitivity. In each case, we use iterations of the relevant coproduct to compute the dimensions of subspaces with modest values of n and k and infer a simple generating procedure for the remainder. The results for ℌladder are familiar from the theory of partitions, while those for ℌCM involve novel transforms of partitions. Most beautiful is the bigrading of ℌR, the largest of the three. Thanks to Sloane's superseeker, we discovered that it saturates all possible inequalities. We prove this by using the universal Hochschild-closed one-cocycle B+, which plugs one set of divergences into another, and by generalizing the concept of natural growth beyond that entailed by the Connes-Moscovici case. We emphasize the yet greater challenge of handling the infinite set of decorations of realistic quantum field theory.
The cryopreservation protocol optimal for progenitor recovery is not optimal for preservation of marrow repopulating ability.

PubMed

Balint, B; Ivanović, Z; Petakov, M; Taseski, J; Jovcić, G; Stojanović, N; Milenković, P

1999-03-01

The efficiency of five different cryopreservation protocols (our original controlled-rate and noncontrolled-rate protocols) was evaluated on the basis of the recovery after thawing of very primitive pluripotent hemopoietic stem cells (MRA(CFU-GM), pluripotent progenitors (CFU-Sd12) and committed granulocyte-monocyte progenitors (CFU-GM) in mouse bone marrow. Although the nucleated cell recovery and viability determined immediately after the thawing and washing of the cells were found to be similar, whether controlled-rate or noncontrolled-rate cryopreservation protocols were used, the recovery of MRA(CFU-GM), CFU-Sd12 and CFU-GM varied depending on the type of protocol and the cryoprotector (DMSO) concentrations used. It was shown that the controlled-rate protocol was more efficient, enabling better MRA(CFU-GM), CFU-Sd12 and CFU-GM recovery from frozen samples. The most efficient was the controlled-rate protocol of cryopreservation designed to compensate for the release of fusion heat, which enabled a better survival of CFU-Sd12 and CFU-GM when combined with a lower (5%) DMSO concentration. On the contrary, a satisfactory survival rate of very primitive stem cells (MRA(CFU-GM)) was achieved only when 10% DMSO was included with a five-step protocol of cryopreservation. These results point to adequately used controlled-rate freezing as essential for a highly efficient cryopreservation of some of the categories of hematopoietic stem and progenitor cells. At the same time, it was obvious that a higher DMSO concentration was necessary for the cryopreservation of very primitive stem cells, but not, however, for more mature progenitor cells (CFU-S, CFU-GM). These results imply the existence of a mechanism that decreases the intracellular concentration of DMSO in primitive MRA cells, which is not the case for less primitive progenitors.
Dual-Arm Generalized Compliant Motion With Shared Control

NASA Technical Reports Server (NTRS)

Backes, Paul G.

1994-01-01

Dual-Arm Generalized Compliant Motion (DAGCM) primitive computer program implementing improved unified control scheme for two manipulator arms cooperating in task in which both grasp same object. Provides capabilities for autonomous, teleoperation, and shared control of two robot arms. Unifies cooperative dual-arm control with multi-sensor-based task control and makes complete task-control capability available to higher-level task-planning computer system via large set of input parameters used to describe desired force and position trajectories followed by manipulator arms. Some concepts discussed in "A Generalized-Compliant-Motion Primitive" (NPO-18134).
KALI - An environment for the programming and control of cooperative manipulators

NASA Technical Reports Server (NTRS)

Hayward, Vincent; Hayati, Samad

1988-01-01

A design description is given of a controller for cooperative robots. The background and motivation for multiple arm control are discussed. A set of programming primitives which permit a programmer to specify cooperative tasks are described. Motion primitives specify asynchronous motions, master/slave motions, and cooperative motions. In the context of cooperative robots, trajectory generation issues are discussed and the authors' implementation briefly described. The relations between programming and control in the case of multiple robots are examined. The allocation of various tasks among a multiprocessor computer is described.

Experimental Validation of Motor Primitive-Based Control for Leg Exoskeletons during Continuous Multi-Locomotion Tasks

PubMed Central

Ruiz Garate, Virginia; Parri, Andrea; Yan, Tingfang; Munih, Marko; Molino Lova, Raffaele; Vitiello, Nicola; Ronsse, Renaud

2017-01-01

An emerging approach to design locomotion assistive devices deals with reproducing desirable biological principles of human locomotion. In this paper, we present a bio-inspired controller for locomotion assistive devices based on the concept of motor primitives. The weighted combination of artificial primitives results in a set of virtual muscle stimulations. These stimulations then activate a virtual musculoskeletal model producing reference assistive torque profiles for different locomotion tasks (i.e., walking, ascending stairs, and descending stairs). The paper reports the validation of the controller through a set of experiments conducted with healthy participants. The proposed controller was tested for the first time with a unilateral leg exoskeleton assisting hip, knee, and ankle joints by delivering a fraction of the computed reference torques. Importantly, subjects performed a track involving ground-level walking, ascending stairs, and descending stairs and several transitions between these tasks. These experiments highlighted the capability of the controller to provide relevant assistive torques and to effectively handle transitions between the tasks. Subjects displayed a natural interaction with the device. Moreover, they significantly decreased the time needed to complete the track when the assistance was provided, as compared to wearing the device with no assistance. PMID:28367121
Detection of CMOS bridging faults using minimal stuck-at fault test sets

NASA Technical Reports Server (NTRS)

Ijaz, Nabeel; Frenzel, James F.

1993-01-01

The performance of minimal stuck-at fault test sets at detecting bridging faults are evaluated. New functional models of circuit primitives are presented which allow accurate representation of bridging faults under switch-level simulation. The effectiveness of the patterns is evaluated using both voltage and current testing.
Linear scaling computation of the Fock matrix. VI. Data parallel computation of the exchange-correlation matrix

NASA Astrophysics Data System (ADS)

Gan, Chee Kwan; Challacombe, Matt

2003-05-01

Recently, early onset linear scaling computation of the exchange-correlation matrix has been achieved using hierarchical cubature [J. Chem. Phys. 113, 10037 (2000)]. Hierarchical cubature differs from other methods in that the integration grid is adaptive and purely Cartesian, which allows for a straightforward domain decomposition in parallel computations; the volume enclosing the entire grid may be simply divided into a number of nonoverlapping boxes. In our data parallel approach, each box requires only a fraction of the total density to perform the necessary numerical integrations due to the finite extent of Gaussian-orbital basis sets. This inherent data locality may be exploited to reduce communications between processors as well as to avoid memory and copy overheads associated with data replication. Although the hierarchical cubature grid is Cartesian, naive boxing leads to irregular work loads due to strong spatial variations of the grid and the electron density. In this paper we describe equal time partitioning, which employs time measurement of the smallest sub-volumes (corresponding to the primitive cubature rule) to load balance grid-work for the next self-consistent-field iteration. After start-up from a heuristic center of mass partitioning, equal time partitioning exploits smooth variation of the density and grid between iterations to achieve load balance. With the 3-21G basis set and a medium quality grid, equal time partitioning applied to taxol (62 heavy atoms) attained a speedup of 61 out of 64 processors, while for a 110 molecule water cluster at standard density it achieved a speedup of 113 out of 128. The efficiency of equal time partitioning applied to hierarchical cubature improves as the grid work per processor increases. With a fine grid and the 6-311G(df,p) basis set, calculations on the 26 atom molecule α-pinene achieved a parallel efficiency better than 99% with 64 processors. For more coarse grained calculations, superlinear speedups are found to result from reduced computational complexity associated with data parallelism.
Photovoltaic panel extraction from very high-resolution aerial imagery using region-line primitive association analysis and template matching

NASA Astrophysics Data System (ADS)

Wang, Min; Cui, Qi; Sun, Yujie; Wang, Qiao

2018-07-01

In object-based image analysis (OBIA), object classification performance is jointly determined by image segmentation, sample or rule setting, and classifiers. Typically, as a crucial step to obtain object primitives, image segmentation quality significantly influences subsequent feature extraction and analyses. By contrast, template matching extracts specific objects from images and prevents shape defects caused by image segmentation. However, creating or editing templates is tedious and sometimes results in incomplete or inaccurate templates. In this study, we combine OBIA and template matching techniques to address these problems and aim for accurate photovoltaic panel (PVP) extraction from very high-resolution (VHR) aerial imagery. The proposed method is based on the previously proposed region-line primitive association framework, in which complementary information between region (segment) and line (straight line) primitives is utilized to achieve a more powerful performance than routine OBIA. Several novel concepts, including the mutual fitting ratio and best-fitting template based on region-line primitive association analyses, are proposed. Automatic template generation and matching method for PVP extraction from VHR imagery are designed for concept and model validation. Results show that the proposed method can successfully extract PVPs without any user-specified matching template or training sample. High user independency and accuracy are the main characteristics of the proposed method in comparison with routine OBIA and template matching techniques.
A musculoskeletal model of human locomotion driven by a low dimensional set of impulsive excitation primitives

PubMed Central

Sartori, Massimo; Gizzi, Leonardo; Lloyd, David G.; Farina, Dario

2013-01-01

Human locomotion has been described as being generated by an impulsive (burst-like) excitation of groups of musculotendon units, with timing dependent on the biomechanical goal of the task. Despite this view being supported by many experimental observations on specific locomotion tasks, it is still unknown if the same impulsive controller (i.e., a low-dimensional set of time-delayed excitastion primitives) can be used as input drive for large musculoskeletal models across different human locomotion tasks. For this purpose, we extracted, with non-negative matrix factorization, five non-negative factors from a large sample of muscle electromyograms in two healthy subjects during four motor tasks. These included walking, running, sidestepping, and crossover cutting maneuvers. The extracted non-negative factors were then averaged and parameterized to obtain task-generic Gaussian-shaped impulsive excitation curves or primitives. These were used to drive a subject-specific musculoskeletal model of the human lower extremity. Results showed that the same set of five impulsive excitation primitives could be used to predict the dynamics of 34 musculotendon units and the resulting hip, knee and ankle joint moments (i.e., NRMSE = 0.18 ± 0.08, and R2 = 0.73 ± 0.22 across all tasks and subjects) without substantial loss of accuracy with respect to using experimental electromyograms (i.e., NRMSE = 0.16 ± 0.07, and R2 = 0.78 ± 0.18 across all tasks and subjects). Results support the hypothesis that biomechanically different motor tasks might share similar neuromuscular control strategies. This might have implications in neurorehabilitation technologies such as human-machine interfaces for the torque-driven, proportional control of powered prostheses and orthoses. In this, device control commands (i.e., predicted joint torque) could be derived without direct experimental data but relying on simple parameterized Gaussian-shaped curves, thus decreasing the input drive complexity and the number of needed sensors. PMID:23805099
A musculoskeletal model of human locomotion driven by a low dimensional set of impulsive excitation primitives.

PubMed

Sartori, Massimo; Gizzi, Leonardo; Lloyd, David G; Farina, Dario

2013-01-01

Human locomotion has been described as being generated by an impulsive (burst-like) excitation of groups of musculotendon units, with timing dependent on the biomechanical goal of the task. Despite this view being supported by many experimental observations on specific locomotion tasks, it is still unknown if the same impulsive controller (i.e., a low-dimensional set of time-delayed excitastion primitives) can be used as input drive for large musculoskeletal models across different human locomotion tasks. For this purpose, we extracted, with non-negative matrix factorization, five non-negative factors from a large sample of muscle electromyograms in two healthy subjects during four motor tasks. These included walking, running, sidestepping, and crossover cutting maneuvers. The extracted non-negative factors were then averaged and parameterized to obtain task-generic Gaussian-shaped impulsive excitation curves or primitives. These were used to drive a subject-specific musculoskeletal model of the human lower extremity. Results showed that the same set of five impulsive excitation primitives could be used to predict the dynamics of 34 musculotendon units and the resulting hip, knee and ankle joint moments (i.e., NRMSE = 0.18 ± 0.08, and R (2) = 0.73 ± 0.22 across all tasks and subjects) without substantial loss of accuracy with respect to using experimental electromyograms (i.e., NRMSE = 0.16 ± 0.07, and R (2) = 0.78 ± 0.18 across all tasks and subjects). Results support the hypothesis that biomechanically different motor tasks might share similar neuromuscular control strategies. This might have implications in neurorehabilitation technologies such as human-machine interfaces for the torque-driven, proportional control of powered prostheses and orthoses. In this, device control commands (i.e., predicted joint torque) could be derived without direct experimental data but relying on simple parameterized Gaussian-shaped curves, thus decreasing the input drive complexity and the number of needed sensors.
Block-localized wavefunction (BLW) method at the density functional theory (DFT) level.

PubMed

Mo, Yirong; Song, Lingchun; Lin, Yuchun

2007-08-30

The block-localized wavefunction (BLW) approach is an ab initio valence bond (VB) method incorporating the efficiency of molecular orbital (MO) theory. It can generate the wavefunction for a resonance structure or diabatic state self-consistently by partitioning the overall electrons and primitive orbitals into several subgroups and expanding each block-localized molecular orbital in only one subspace. Although block-localized molecular orbitals in the same subspace are constrained to be orthogonal (a feature of MO theory), orbitals between different subspaces are generally nonorthogonal (a feature of VB theory). The BLW method is particularly useful in the quantification of the electron delocalization (resonance) effect within a molecule and the charge-transfer effect between molecules. In this paper, we extend the BLW method to the density functional theory (DFT) level and implement the BLW-DFT method to the quantum mechanical software GAMESS. Test applications to the pi conjugation in the planar allyl radical and ions with the basis sets of 6-31G(d), 6-31+G(d), 6-311+G(d,p), and cc-pVTZ show that the basis set dependency is insignificant. In addition, the BLW-DFT method can also be used to elucidate the nature of intermolecular interactions. Examples of pi-cation interactions and solute-solvent interactions will be presented and discussed. By expressing each diabatic state with one BLW, the BLW method can be further used to study chemical reactions and electron-transfer processes whose potential energy surfaces are typically described by two or more diabatic states.
Esthetic and prosthetic dentistry as reflected in the Old Testament and other ancient scriptures.

PubMed

Stern, N

1997-01-01

The great technologic strides of the past have transformed medicine and dentistry from a primitive craft into a modern science. Although the past century has witnessed great advances in the evolution of esthetic dentistry, it is fitting to pay tribute to the ancient practitioners of this craft, who formed a basis for its present progress.
Visibility-Based Hypothesis Testing Using Higher-Order Optical Interference

NASA Astrophysics Data System (ADS)

Jachura, Michał; Jarzyna, Marcin; Lipka, Michał; Wasilewski, Wojciech; Banaszek, Konrad

2018-03-01

Many quantum information protocols rely on optical interference to compare data sets with efficiency or security unattainable by classical means. Standard implementations exploit first-order coherence between signals whose preparation requires a shared phase reference. Here, we analyze and experimentally demonstrate the binary discrimination of visibility hypotheses based on higher-order interference for optical signals with a random relative phase. This provides a robust protocol implementation primitive when a phase lock is unavailable or impractical. With the primitive cost quantified by the total detected optical energy, optimal operation is typically reached in the few-photon regime.
Anatomy of a Decision: Striato-Orbitofrontal Interactions in Reinforcement Learning, Decision Making, and Reversal

ERIC Educational Resources Information Center

Frank, Michael J.; Claus, Eric D.

2006-01-01

The authors explore the division of labor between the basal ganglia-dopamine (BG-DA) system and the orbitofrontal cortex (OFC) in decision making. They show that a primitive neural network model of the BG-DA system slowly learns to make decisions on the basis of the relative probability of rewards but is not as sensitive to (a) recency or (b) the…
Systematization of climate data in the virtual research environment on the basis of ontology approach

NASA Astrophysics Data System (ADS)

Alipova, K. A.; Bart, A. A.; Fazliev, A. Z.; Gordov, E. P.; Okladnikov, I. G.; Privezentsev, A. I.; Titov, A. G.

2017-11-01

The first version of a primitive OWL-ontology of collections climate and meteorological data of Institute of Monitoring of Climatic and Ecological Systems SB RAS is presented. The ontology is a component of expert and decision support systems intended for quick search for climate and meteorological data required for solution of a certain class of applied problems.
Implications of the (H2O)n + CO ↔ trans-HCOOH + (H2O)n-1 (n = 1, 2, and 3) reactions for primordial atmospheres of Venus and Earth

NASA Astrophysics Data System (ADS)

Vichietti, R. M.; Spada, R. F. K.; da Silva, A. B. F.; Machado, F. B. C.; Haiduke, R. L. A.

2018-04-01

The forward and backward (H2O)n + CO ↔ HCOOH + (H2O)n-1 (n = 1, 2, and 3) reactions were studied in order to furnish trustworthy thermochemical and kinetic data. Stationary point structures involved in these chemical processes were achieved at the B2PLYP/cc-pVTZ level so that the corresponding vibrational frequencies, zero-point energies, and thermal corrections were scaled to consider anharmonicity effects. A complete basis set extrapolation was also employed with the CCSD(T) method in order to improve electronic energy descriptions and providing therefore more accurate results for enthalpies, Gibbs energies, and rate constants. Forward and backward rate constants were encountered at the high-pressure limit between 200 and 4000 K. In turn, modified Arrhenius' equations were fitted from these rate constants (between 700 and 4000 K). Next, considering physical and chemical conditions that have supposedly prevailed on primitive atmospheres of Venus and Earth, our main results indicate that 85-88 per cent of all water forms on these atmospheres were monomers, whereas (H2O)2 and (H2O)3 complexes would represent 12-15 and ˜0 per cent, respectively. Besides, we estimate that Earth's and Venus' primitive atmospheres could have been composed by ˜0.001-0.003 per cent of HCOOH when their temperatures were around 1000-2000 K. Finally, the water loss process on Venus may have occurred by a mechanism that includes the formic acid as intermediate species.
Simulations of the 2.5D inviscid primitive equations in a limited domain

NASA Astrophysics Data System (ADS)

Chen, Qingshan; Temam, Roger; Tribbia, Joseph J.

2008-12-01

The primitive equations (PEs) of the atmosphere and the oceans without viscosity are considered. These equations are not well-posed for any set of local boundary conditions. In space dimension 2.5 a set of nonlocal boundary conditions has been proposed in Chen et al. [Q. Chen, J. Laminie, A. Rousseau, R. Temam, J. Tribbia, A 2.5D Model for the equations of the ocean and the atmosphere, Anal. Appl. 5(3) (2007) 199-229]. The present article is aimed at testing the validity of these boundary conditions with physically relevant data. The issues tested are the well-posedness in the nonlinear case and the computational efficiency of the boundary conditions for limited area models [T.T. Warner, R.A. Peterson, R.E. Treadon, A tutorial on lateral boundary conditions as a basic and potentially serious limitation to regional numerical weather prediction, Bull. Amer. Meteor. Soc. 78(11) (1997) 2599-2617].
Symbol Recognition Using a Concept Lattice of Graphical Patterns

NASA Astrophysics Data System (ADS)

Rusiñol, Marçal; Bertet, Karell; Ogier, Jean-Marc; Lladós, Josep

In this paper we propose a new approach to recognize symbols by the use of a concept lattice. We propose to build a concept lattice in terms of graphical patterns. Each model symbol is decomposed in a set of composing graphical patterns taken as primitives. Each one of these primitives is described by boundary moment invariants. The obtained concept lattice relates which symbolic patterns compose a given graphical symbol. A Hasse diagram is derived from the context and is used to recognize symbols affected by noise. We present some preliminary results over a variation of the dataset of symbols from the GREC 2005 symbol recognition contest.
Underscreening in ionic liquids: a first principles analysis.

PubMed

Rotenberg, Benjamin; Bernard, Olivier; Hansen, Jean-Pierre

2018-02-07

An attempt is made to understand the underscreening effect, observed in concentrated electrolyte solutions or melts, on the basis of simple, admittedly crude models involving charged (for the ions) and neutral (for the solvent molecules) hard spheres. The thermodynamic and structural properties of these 'primitive' and 'semi-primitive' models are calculated within mean spherical approximation, which provides the basic input required to determine the partial density response functions. The screening length [Formula: see text], which is unambiguously defined in terms of the wave-number-dependent response functions, exhibits a cross-over from a low density, Debye-like regime, to a regime where [Formula: see text] increases with density beyond a critical density at which the Debye length [Formula: see text] becomes comparable to the ion diameter. In this high density regime the ratio [Formula: see text] increases according to a power law, in qualitative agreement with experimental measurements, albeit at a much slower rate.
Icosahedral quasicrystals as twins of cubic crystals containing large icosahedral clusters of atoms: The 1012-atom primitive cubic structure of Al(6)CuLi(3), the C-phase Al(37)Cu(3)Li(21)Mg(3), and GaMg(2)Zn(3).

PubMed

Pauling, L

1988-06-01

Single-grain precession x-ray diffraction photographs of Al(6)CuLi(3) have been successfully indexed on the basis of icosahedral twinning of cubic crystals with a 1012-atom primitive cubic unit with edge 25.70 A, giving support to the proposal that the so-called icosahedral quasicrystals are twins of crystals containing eight large icosahedral clusters in the beta-W arrangement. In this compound two of the clusters consist of 104 atoms and six consist of 136 atoms, with 24 atoms shared. The same structure is assigned to the C-phase, Al(37)Cu(3)Li(21)Mg(3), and to GaMg(2)Zn(3). A theory of icosahedral quasicrystals and amorphous metals is described.
Icosahedral quasicrystals as twins of cubic crystals containing large icosahedral clusters of atoms: The 1012-atom primitive cubic structure of Al6CuLi3, the C-phase Al37Cu3Li21Mg3, and GaMg2Zn3

PubMed Central

Pauling, Linus

1988-01-01

Single-grain precession x-ray diffraction photographs of Al6CuLi3 have been successfully indexed on the basis of icosahedral twinning of cubic crystals with a 1012-atom primitive cubic unit with edge 25.70 Å, giving support to the proposal that the so-called icosahedral quasicrystals are twins of crystals containing eight large icosahedral clusters in the β-W arrangement. In this compound two of the clusters consist of 104 atoms and six consist of 136 atoms, with 24 atoms shared. The same structure is assigned to the C-phase, Al37Cu3Li21Mg3, and to GaMg2Zn3. A theory of icosahedral quasicrystals and amorphous metals is described. PMID:16593929
Molecular replication

NASA Technical Reports Server (NTRS)

Orgel, L. E.

1986-01-01

The object of our research program is to understand how polynucleotide replication originated on the primitive Earth. This is a central issue in studies of the origins of life, since a process similar to modern DNA and RNA synthesis is likely to have formed the basis for the most primitive system of genetic information transfer. The major conclusion of studies so far is that a preformed polynucleotide template under many different experimental conditions will facilitate the synthesis of a new oligonucleotide with a sequence complementary to that of the template. It has been shown, for example, that poly(C) facilitates the synthesis of long oligo(G)s and that the short template CCGCC facilities the synthesis of its complement GGCGG. Very recently we have shown that template-directed synthesis is not limited to the standard oligonucleotide substrates. Nucleic acid-like molecules with a pyrophosphate group replacing the phosphate of the standard nucleic acid backbone are readily synthesized from deoxynucleotide 3'-5'-diphosphates on appropriate templates.
The design and implementation of a parallel unstructured Euler solver using software primitives

NASA Technical Reports Server (NTRS)

Das, R.; Mavriplis, D. J.; Saltz, J.; Gupta, S.; Ponnusamy, R.

1992-01-01

This paper is concerned with the implementation of a three-dimensional unstructured grid Euler-solver on massively parallel distributed-memory computer architectures. The goal is to minimize solution time by achieving high computational rates with a numerically efficient algorithm. An unstructured multigrid algorithm with an edge-based data structure has been adopted, and a number of optimizations have been devised and implemented in order to accelerate the parallel communication rates. The implementation is carried out by creating a set of software tools, which provide an interface between the parallelization issues and the sequential code, while providing a basis for future automatic run-time compilation support. Large practical unstructured grid problems are solved on the Intel iPSC/860 hypercube and Intel Touchstone Delta machine. The quantitative effect of the various optimizations are demonstrated, and we show that the combined effect of these optimizations leads to roughly a factor of three performance improvement. The overall solution efficiency is compared with that obtained on the CRAY-YMP vector supercomputer.
Robust Indoor Human Activity Recognition Using Wireless Signals.

PubMed

Wang, Yi; Jiang, Xinli; Cao, Rongyu; Wang, Xiyang

2015-07-15

Wireless signals-based activity detection and recognition technology may be complementary to the existing vision-based methods, especially under the circumstance of occlusions, viewpoint change, complex background, lighting condition change, and so on. This paper explores the properties of the channel state information (CSI) of Wi-Fi signals, and presents a robust indoor daily human activity recognition framework with only one pair of transmission points (TP) and access points (AP). First of all, some indoor human actions are selected as primitive actions forming a training set. Then, an online filtering method is designed to make actions' CSI curves smooth and allow them to contain enough pattern information. Each primitive action pattern can be segmented from the outliers of its multi-input multi-output (MIMO) signals by a proposed segmentation method. Lastly, in online activities recognition, by selecting proper features and Support Vector Machine (SVM) based multi-classification, activities constituted by primitive actions can be recognized insensitive to the locations, orientations, and speeds.

QCAPUF: QCA-based physically unclonable function as a hardware security primitive

NASA Astrophysics Data System (ADS)

Abutaleb, M. M.

2018-04-01

Physically unclonable functions (PUFs) are increasingly used as innovative security primitives to provide the hardware authentication and identification as well as the secret key generation based on unique and random variations in identically fabricated devices. Security and low power have appeared to become two crucial necessities to modern designs. As an emerging nanoelectronic technology, a quantum-dot cellular automata (QCA) can achieve ultra-low power consumption as well as an extremely small area for implementing digital designs. However, there are various classes of permanent defects that can happen during the manufacture of QCA devices. The recent extensive research has been focused on how to eliminate errors in QCA structures resulting from fabrication variances. By a completely different vision, to turn this disadvantage into an advantage, this paper presents a novel QCA-based PUF (QCAPUF) architecture to exploit the unique physical characteristics of fabricated QCA cells in order to produce different hardware fingerprint instances. This architecture is composed of proposed logic and interconnect blocks that have critical vulnerabilities and perform unexpected logical operations. The behaviour of QCAPUF is thoroughly analysed through physical relations and simulations. Results confirm that the proposed QCAPUF has state of the art PUF characteristics in the QCA technology. This paper will serve as a basis for further research into QCA-based hardware security primitives and applications.
Sparse Modeling of Human Actions from Motion Imagery

DTIC Science & Technology

2011-09-02

is here developed. Spatio-temporal features that char- acterize local changes in the image are rst extracted. This is followed by the learning of a...video comes from the optimal sparse linear com- bination of the learned basis vectors (action primitives) representing the actions. A low...computational cost deep-layer model learning the inter- class correlations of the data is added for increasing discriminative power. In spite of its simplicity
A RESOURCE GUIDE FOR THIRD GRADE SUMMER SCHOOL ACCELERATION CLASSES. THE AMERICAN INDIAN--A STUDY OF LIFE IN A PRIMITIVE CULTURE.

ERIC Educational Resources Information Center

TRAINOR, LOIS M.; AND OTHERS

THE SUMMER PROGRAM IS PART OF A PROGRAM IN WHICH SECOND-GRADE GIFTED STUDENTS ARE GIVEN INSTRUCTION IN BASIC THIRD-GRADE SKILLS IN LANGUAGE AND ARITHMETIC DURING THE SPRING SEMESTER. THE SUMMER SESSION PROVIDES FOR IMPROVEMENT IN THESE SKILLS ON AN INDIVIDUAL BASIS AND FOR ENRICHMENT IN SOCIAL STUDIES. THE UNIT ON THE AMERICAN INDIAN DESCRIBED IS…
Ancient Hydrothermal Springs in Arabia Terra, Mars

NASA Technical Reports Server (NTRS)

Oehler, Dorothy Z.; Allen, Carlton C.

2008-01-01

Hydrothermal springs are important astrobiological sites for several reasons: 1) On Earth, molecular phylogeny suggests that many of the most primitive organisms are hyperthermophiles, implying that life on this planet may have arisen in hydrothermal settings; 2) on Mars, similar settings would have supplied energy- and nutrient-rich waters in which early martian life may have evolved; 3) such regions on Mars would have constituted oases of continued habitability providing warm, liquid water to primitive life forms as the planet became colder and drier; and 4) mineralization associated with hydrothermal settings could have preserved biosignatures from those martian life forms. Accordingly, if life ever developed on Mars, then hydrothermal spring deposits would be excellent localities in which to search for morphological or chemical remnants of that life. Previous attempts to identify martian spring deposits from orbit have been general or limited by resolution of available data. However, new satellite imagery from HiRISE has a resolution of 28 cm/pixel which allows detailed analysis of geologic structure and geomorphology. Based on these new data, we report several features in Vernal Crater, Arabia Terra that we interpret as ancient hydrothermal springs.
Primitive graphs with small exponent and small scrambling index

NASA Astrophysics Data System (ADS)

Surbakti, Ita Y.; Suwilo, Saib; Butar-butar, Ericha A.; Oktaviani, Helda

2018-01-01

A connected graph G is primitive provide there is a positive integer k such that for each pair of vertices u and v there is a uv-walk of length k. The smallest of such positive integer k is the exponent of G and is denoted by exp(G). The scrambling index of a primitive graph G, denoted by k(G), is the smallest positive integer k such that for each pair of vertices u and v there is a vertex w such that there is a uw-walk and a vw-walk of length k. By an n-chainring CR(n) we mean a graph obtained from an n-cycle by replacing each edge of the n-cycle by a triangle. By a (q,p)-dory, D(q,p), we mean a graph with vertex set V(D(q,p)) = V(P q × P p ) ∪ {w 1, w 2} and edge set E(D(q,p)) = E(P q × Pp ) ∪ {w 1 - (u i ,v 1) : i = 1, 2,…, q}∪{w 2 -(u i ,vp ) : i = 1, 2,…, q}, where Pn is a path on n vertices. We discus the exponent and scrambling index of an n- chainring and (q, p)-dory. We present formulae for exponent and scrambling index in terms of their diameter.
A Distributed Operating System for BMD Applications.

DTIC Science & Technology

1982-01-01

Defense) applications executing on distributed hardware with local and shared memories. The objective was to develop real - time operating system functions...make the Basic Real - Time Operating System , and the set of new EPL language primitives that provide BMD application processes with efficient mechanisms
Combination Chemotherapy in Treating Patients With Non-Metastatic Extracranial Ewing Sarcoma

ClinicalTrials.gov

2018-02-09

Adult Supratentorial Primitive Neuroectodermal Tumor (PNET); Childhood Supratentorial Primitive Neuroectodermal Tumor; Ewing Sarcoma of Bone; Extraosseous Ewing Sarcoma; Extraosseous Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor; Localized Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor; Peripheral Primitive Neuroectodermal Tumor of the Kidney; Untreated Childhood Supratentorial Primitive Neuroectodermal Tumor
Regional primitive equation modeling and analysis of the polymode data set

NASA Astrophysics Data System (ADS)

Spall, Michael A.

A regional, hybrid coordinate, primitive equation (PE) model is applied to a 60-day period of the POLYMODE data set. The initialization techniques and open boundary conditions introduced by Spall and Robinson are shown to produce stable, realistic, and reasonably accurate hindcasts for the 2-month data set. Comparisons with quasi-geostrophic (QG) modeling studies indicate that the PE model reproduced the jet formation that dominates the region more accurately than did the QG model. When the PE model used boundary conditions that were partially adjusted by the QG model, the resulting fields were very similar to the QG fields, indicating a rapid degradation of small-scale features near the boundaries in the QG calculation. A local term-by-term primitive equation energy and vorticity analysis package is also introduced. The full vorticity, horizontal divergence, kinetic energy, and available gravitational energy equations are solved diagnostically from the output of the regional PE model. Through the analysis of a time series of horizontal maps, the dominant processes in the flow are illustrated. The individual terms are also integrated over the region of jet formation to highlight the net balances as a function of time. The formation of the deep thermocline jet is shown to be due to horizontal advection through the boundary, baroclinic conversion in the deep thermocline and vertical pressure work, which exports the deep energy to the upper thermocline levels. It is concluded here that the PE model reproduces the observed jet formation better than the QG model because of the increased horizontal advection and stronger vertical pressure work. Although the PE model is shown to be superior to the QG model in this application, it is believed that both PE and QG models can play an important role in the regional study of mid-ocean mesoscale eddies.
A human factors analysis of EVA time requirements

NASA Technical Reports Server (NTRS)

Pate, D. W.

1996-01-01

Human Factors Engineering (HFE), also known as Ergonomics, is a discipline whose goal is to engineer a safer, more efficient interface between humans and machines. HFE makes use of a wide range of tools and techniques to fulfill this goal. One of these tools is known as motion and time study, a technique used to develop time standards for given tasks. A human factors motion and time study was initiated with the goal of developing a database of EVA task times and a method of utilizing the database to predict how long an ExtraVehicular Activity (EVA) should take. Initial development relied on the EVA activities performed during the STS-61 mission (Hubble repair). The first step of the analysis was to become familiar with EVAs and with the previous studies and documents produced on EVAs. After reviewing these documents, an initial set of task primitives and task time modifiers was developed. Videotaped footage of STS-61 EVAs were analyzed using these primitives and task time modifiers. Data for two entire EVA missions and portions of several others, each with two EVA astronauts, was collected for analysis. Feedback from the analysis of the data will be used to further refine the primitives and task time modifiers used. Analysis of variance techniques for categorical data will be used to determine which factors may, individually or by interactions, effect the primitive times and how much of an effect they have.
On Synchronization Primitive Systems.

DTIC Science & Technology

The report studies the question: what synchronization primitive should be used to handle inter-process communication. A formal model is presented...between these synchronization primitives. Although only four synchronization primitives are compared, the general methods can be used to compare other... synchronization primitives. Moreover, in the definitions of these synchronization primitives, conditional branches are explicitly allowed. In addition
Atmospheric model development in support of SEASAT. Volume 2: Analysis models

NASA Technical Reports Server (NTRS)

Langland, R. A.

1977-01-01

As part of the SEASAT program of NASA, two sets of analysis programs were developed for the Jet Propulsion Laboratory. One set of programs produce 63 x 63 horizontal mesh analyses on a polar stereographic grid. The other set produces 187 x 187 third mesh analyses. The parameters analyzed include sea surface temperature, sea level pressure and twelve levels of upper air temperature, height and wind analyses. The analysis output is used to initialize the primitive equation forecast models.
A network of epigenetic regulators guides developmental haematopoiesis in vivo.

PubMed

Huang, Hsuan-Ting; Kathrein, Katie L; Barton, Abby; Gitlin, Zachary; Huang, Yue-Hua; Ward, Thomas P; Hofmann, Oliver; Dibiase, Anthony; Song, Anhua; Tyekucheva, Svitlana; Hide, Winston; Zhou, Yi; Zon, Leonard I

2013-12-01

The initiation of cellular programs is orchestrated by key transcription factors and chromatin regulators that activate or inhibit target gene expression. To generate a compendium of chromatin factors that establish the epigenetic code during developmental haematopoiesis, a large-scale reverse genetic screen was conducted targeting orthologues of 425 human chromatin factors in zebrafish. A set of chromatin regulators was identified that target different stages of primitive and definitive blood formation, including factors not previously implicated in haematopoiesis. We identified 15 factors that regulate development of primitive erythroid progenitors and 29 factors that regulate development of definitive haematopoietic stem and progenitor cells. These chromatin factors are associated with SWI/SNF and ISWI chromatin remodelling, SET1 methyltransferase, CBP-p300-HBO1-NuA4 acetyltransferase, HDAC-NuRD deacetylase, and Polycomb repressive complexes. Our work provides a comprehensive view of how specific chromatin factors and their associated complexes play a major role in the establishment of haematopoietic cells in vivo.
ELIPS: Toward a Sensor Fusion Processor on a Chip

NASA Technical Reports Server (NTRS)

Daud, Taher; Stoica, Adrian; Tyson, Thomas; Li, Wei-te; Fabunmi, James

1998-01-01

The paper presents the concept and initial tests from the hardware implementation of a low-power, high-speed reconfigurable sensor fusion processor. The Extended Logic Intelligent Processing System (ELIPS) processor is developed to seamlessly combine rule-based systems, fuzzy logic, and neural networks to achieve parallel fusion of sensor in compact low power VLSI. The first demonstration of the ELIPS concept targets interceptor functionality; other applications, mainly in robotics and autonomous systems are considered for the future. The main assumption behind ELIPS is that fuzzy, rule-based and neural forms of computation can serve as the main primitives of an "intelligent" processor. Thus, in the same way classic processors are designed to optimize the hardware implementation of a set of fundamental operations, ELIPS is developed as an efficient implementation of computational intelligence primitives, and relies on a set of fuzzy set, fuzzy inference and neural modules, built in programmable analog hardware. The hardware programmability allows the processor to reconfigure into different machines, taking the most efficient hardware implementation during each phase of information processing. Following software demonstrations on several interceptor data, three important ELIPS building blocks (a fuzzy set preprocessor, a rule-based fuzzy system and a neural network) have been fabricated in analog VLSI hardware and demonstrated microsecond-processing times.
First finding of impact melt in the IIE Netschaëvo meteorite

NASA Astrophysics Data System (ADS)

Roosbroek, N.; Pittarello, L.; Greshake, A.; Debaille, V.; Claeys, P.

2016-02-01

About half of the IIE nonmagmatic iron meteorites contain silicate inclusions with a primitive to differentiated nature. The presence of preserved chondrules has been reported for two IIE meteorites so far, Netschaëvo and Mont Dieu, which represent the most primitive silicate material within this group. In this study, silicate inclusions from two samples of Netschaëvo were examined. Both silicate inclusions are characterized by a porphyritic texture dominated by clusters of coarse-grained olivine and pyroxene, set in a fine-grained groundmass that consists of new crystals of olivine and a glassy appearing matrix. This texture does not correspond to the description of the previously examined pieces of Netschaëvo, which consist of primitive chondrule-bearing angular clasts. Detailed petrographic observations and geochemical analyses suggest that the investigated samples of Netschaëvo consist of quenched impact melt. This implies that Netschaëvo is a breccia containing metamorphosed and impact-melt rock (IMR) clasts and that collisions played a major role in the formation of the IIE group.
A Scalable Distributed Approach to Mobile Robot Vision

NASA Technical Reports Server (NTRS)

Kuipers, Benjamin; Browning, Robert L.; Gribble, William S.

1997-01-01

This paper documents our progress during the first year of work on our original proposal entitled 'A Scalable Distributed Approach to Mobile Robot Vision'. We are pursuing a strategy for real-time visual identification and tracking of complex objects which does not rely on specialized image-processing hardware. In this system perceptual schemas represent objects as a graph of primitive features. Distributed software agents identify and track these features, using variable-geometry image subwindows of limited size. Active control of imaging parameters and selective processing makes simultaneous real-time tracking of many primitive features tractable. Perceptual schemas operate independently from the tracking of primitive features, so that real-time tracking of a set of image features is not hurt by latency in recognition of the object that those features make up. The architecture allows semantically significant features to be tracked with limited expenditure of computational resources, and allows the visual computation to be distributed across a network of processors. Early experiments are described which demonstrate the usefulness of this formulation, followed by a brief overview of our more recent progress (after the first year).
Quantization of Motor Activity into Primitives and Time-Frequency Atoms Using Independent Component Analysis and Matching Pursuit Algorithms

DTIC Science & Technology

2001-10-25

form: (1) A is a scaling factor, t is time and r a coordinate vector describing the limb configuration. We...combination of limb state and EMG. In our early examination of EMG we detected underlying groups of muscles and phases of activity by inspection and...representations of EEG or other biological signals has been thoroughly explored. Such components might be used as a basis for neuroprosthetic control
EAGLES NEST WILDERNESS, COLORADO.

USGS Publications Warehouse

Tweto, Ogden; Williams, Frank E.

1984-01-01

On the basis of a geologic and mineral survey, a primitive area that constitutes the nucleus of the Eagles Nest Wilderness, Colorado was appraised to offer little promise for the occurrence of mineral or energy resources. Among the additional areas later incorporated in the wilderness, only a strip near a major fault west and northwest of Frisco and Dillon is classed as having probable mineral-resource potential. If mineral deposits exist, they probably are of the silver-lead-zinc or fluorspar types.
Volatile and light lithophile elements in high-anorthite plagioclase-hosted melt inclusions from Iceland

NASA Astrophysics Data System (ADS)

Neave, David A.; Hartley, Margaret E.; Maclennan, John; Edmonds, Marie; Thordarson, Thorvaldur

2017-05-01

Melt inclusions formed during the early stages of magmatic evolution trap primitive melt compositions and enable the volatile contents of primary melts and the mantle to be estimated. However, the syn- and post-entrapment behaviour of volatiles in primitive high-anorthite plagioclase-hosted melt inclusions from oceanic basalts remains poorly constrained. To address this deficit, we present volatile and light lithophile element analyses from a well-characterised suite of nine matrix glasses and 102 melt inclusions from the 10 ka Grímsvötn tephra series (i.e., Saksunarvatn ash) of Iceland's Eastern Volcanic Zone (EVZ). High matrix glass H2O and S contents indicate that eruption-related exsolution was arrested by quenching in a phreatomagmatic setting; Li, B, F and Cl did not exsolve during eruption. The almost uniformly low CO2 content of plagioclase-hosted melt inclusions cannot be explained by either shallow entrapment or the sequestration of CO2 into shrinkage bubbles, suggesting that inclusion CO2 contents were controlled by decrepitation instead. High H2O/Ce values in primitive plagioclase-hosted inclusions (182-823) generally exceed values expected for EVZ primary melts (∼ 180), and can be accounted for by diffusive H2O gain following the entrainment of primitive macrocrysts into evolved and H2O-rich melts a few days before eruption. A strong positive correlation between H2O and Li in plagioclase-hosted inclusions suggests that diffusive Li gain may also have occurred. Extreme F enrichments in primitive plagioclase-hosted inclusions (F/Nd = 51-216 versus ∼15 in matrix glasses) possibly reflect the entrapment of inclusions from high-Al/(Al + Si) melt pools formed by dissolution-crystallisation processes (as indicated by HFSE depletions in some inclusions), and into which F was concentrated by uphill diffusion since F is highly soluble in Al-rich melts. The high S/Dy of primitive inclusions (∼300) indicates that primary melts were S-rich in comparison with most oceanic basalts. Cl and B are unfractionated from similarly compatible trace elements, and preserve records of primary melt heterogeneity. Although primitive plagioclase-hosted melt inclusions from the 10 ka Grímsvötn tephra series record few primary signals in their volatile contents, they nevertheless record information about crustal magma processing that is not captured in olivine-hosted melt inclusions suites.
Reasons for the occurrence of the twenty coded protein amino acids

NASA Technical Reports Server (NTRS)

Weber, A. L.; Miller, S. L.

1981-01-01

Factors involved in the selection of the 20 protein L-alpha-amino acids during chemical evolution and the early stages of Darwinian evolution are discussed. The selection is considered on the basis of the availability in the primitive ocean, function in proteins, the stability of the amino acid and its peptides, stability to racemization, and stability on the transfer RNA. It is concluded that aspartic acid, glutamic acid, arginine, lysine, serine and possibly threonine are the best choices for acidic, basic and hydroxy amino acids. The hydrophobic amino acids are reasonable choices, except for the puzzling absences of alpha-amino-n-butyric acid, norvaline and norleucine. The choices of the sulfur and aromatic amino acids seem reasonable, but are not compelling. Asparagine and glutamine are apparently not primitive. If life were to arise on another planet, it would be expected that the catalysts would be poly-alpha-amino acids and that about 75% of the amino acids would be the same as on the earth.
Microfluidic assay of the deformability of primitive erythroblasts.

PubMed

Zhou, Sitong; Huang, Yu-Shan; Kingsley, Paul D; Cyr, Kathryn H; Palis, James; Wan, Jiandi

2017-09-01

Primitive erythroblasts (precursors of red blood cells) enter vascular circulation during the embryonic period and mature while circulating. As a result, primitive erythroblasts constantly experience significant hemodynamic shear stress. Shear-induced deformation of primitive erythroblasts however, is poorly studied. In this work, we examined the deformability of primitive erythroblasts at physiologically relevant flow conditions in microfluidic channels and identified the regulatory roles of the maturation stage of primitive erythroblasts and cytoskeletal protein 4.1 R in shear-induced cell deformation. The results showed that the maturation stage affected the deformability of primitive erythroblasts significantly and that primitive erythroblasts at later maturational stages exhibited a better deformability due to a matured cytoskeletal structure in the cell membrane.

Existence and Regularity Results for the Inviscid Primitive Equations with Lateral Periodicity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hamouda, Makram, E-mail: mahamoud@indiana.edu; Jung, Chang-Yeol, E-mail: changyeoljung@gmail.com; Temam, Roger, E-mail: temam@indiana.edu

2016-06-15

The article is devoted to prove the existence and regularity of the solutions of the 3D inviscid Linearized Primitive Equations (LPEs) in a channel with lateral periodicity. This was assumed in a previous work (Hamouda et al. in Discret Contin Dyn Syst Ser S 6(2):401–422, 2013) which is concerned with the boundary layers generated by the corresponding viscous problem. Although the equations under investigation here are of hyperbolic type, the standard methods do not apply because of the specificity of the hyperbolic system. A set of non-local boundary conditions for the inviscid LPEs has to be imposed at the lateralmore » boundary of the channel making thus the system well-posed.« less
Public science of the savage mind: contesting cultural anthropology in the Cold War classroom.

PubMed

Milam, Erika Lorraine

2013-01-01

"What is human about human beings? How did they get that way? How can they be made more so?" These three questions formed the basis of a fifth-grade social studies curriculum project developed in the 1960s called Man: A Course of Study, or MACOS. In the years between the curriculum's development in the 1960s and its controversial implementation in the 1970s, two separate sets of concerns served to problematize the use of anthropological materials in public school classrooms. On the one hand, MACOS designers were wary of the possibly racist interpretations of exploring so-called "primitive" cultures in the classroom. On the other, conservative textbook reformers objected to claims that all cultural solutions to biological problems were morally equivalent. Once MACOS earned a place in national news, it came to embody both hopes for the redemption of American democratic society and fears about the violent nature of humans, depending on one's political perspective. These mixed messages eventually undermined the long-term success of the program as public science. © 2013 Wiley Periodicals, Inc.
Whole-Body Radiation Therapy, Systemic Chemotherapy, and High-Dose Chemotherapy Followed By Stem Cell Rescue in Treating Patients With Poor-Risk Ewing Sarcoma

ClinicalTrials.gov

2015-01-07

Adult Supratentorial Primitive Neuroectodermal Tumor (PNET); Ewing Sarcoma of Bone; Extraosseous Ewing Sarcoma; Metastatic Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor; Recurrent Childhood Supratentorial Primitive Neuroectodermal Tumor; Recurrent Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor; Untreated Childhood Supratentorial Primitive Neuroectodermal Tumor
Numbers and functions in quantum field theory

NASA Astrophysics Data System (ADS)

Schnetz, Oliver

2018-04-01

We review recent results in the theory of numbers and single-valued functions on the complex plane which arise in quantum field theory. These results are the basis for a new approach to high-loop-order calculations. As concrete examples, we provide scheme-independent counterterms of primitive log-divergent graphs in ϕ4 theory up to eight loops and the renormalization functions β , γ , γm of dimensionally regularized ϕ4 theory in the minimal subtraction scheme up to seven loops.
A Global Interpolation Function (GIF) boundary element code for viscous flows

NASA Technical Reports Server (NTRS)

Reddy, D. R.; Lafe, O.; Cheng, A. H-D.

1995-01-01

Using global interpolation functions (GIF's), boundary element solutions are obtained for two- and three-dimensional viscous flows. The solution is obtained in the form of a boundary integral plus a series of global basis functions. The unknown coefficients of the GIF's are determined to ensure the satisfaction of the governing equations at selected collocation points. The values of the coefficients involved in the boundary integral equations are determined by enforcing the boundary conditions. Both primitive variable and vorticity-velocity formulations are examined.
Secure Heterogeneous Multicore Platform Through Diversity and Redundancy

DTIC Science & Technology

2012-03-31

implementation detects synchronization in this way. If a programmer uses custom synchronization primitives , our approach assumes that such primitives ... synchronization primitives . Primitives such as barriers and spinlocks explicitly enforce a pre- determined ordering among threads. Therefore, the outcome of...these synchronization operations are deterministic. In the discussion, we will refer to these primitives as ordering synchronization operations. On the
Calculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices.

PubMed

Leclerc, Arnaud; Carrington, Tucker

2014-05-07

We propose an iterative method for computing vibrational spectra that significantly reduces the memory cost of calculations. It uses a direct product primitive basis, but does not require storing vectors with as many components as there are product basis functions. Wavefunctions are represented in a basis each of whose functions is a sum of products (SOP) and the factorizable structure of the Hamiltonian is exploited. If the factors of the SOP basis functions are properly chosen, wavefunctions are linear combinations of a small number of SOP basis functions. The SOP basis functions are generated using a shifted block power method. The factors are refined with a rank reduction algorithm to cap the number of terms in a SOP basis function. The ideas are tested on a 20-D model Hamiltonian and a realistic CH3CN (12 dimensional) potential. For the 20-D problem, to use a standard direct product iterative approach one would need to store vectors with about 10(20) components and would hence require about 8 × 10(11) GB. With the approach of this paper only 1 GB of memory is necessary. Results for CH3CN agree well with those of a previous calculation on the same potential.
A reconfigurable continuous-flow fluidic routing fabric using a modular, scalable primitive.

PubMed

Silva, Ryan; Bhatia, Swapnil; Densmore, Douglas

2016-07-05

Microfluidic devices, by definition, are required to move liquids from one physical location to another. Given a finite and frequently fixed set of physical channels to route fluids, a primitive design element that allows reconfigurable routing of that fluid from any of n input ports to any n output ports will dramatically change the paradigms by which these chips are designed and applied. Furthermore, if these elements are "regular" regarding their design, the programming and fabrication of these elements becomes scalable. This paper presents such a design element called a transposer. We illustrate the design, fabrication and operation of a single transposer. We then scale this design to create a programmable fabric towards a general-purpose, reconfigurable microfluidic platform analogous to the Field Programmable Gate Array (FPGA) found in digital electronics.
Propagation of eigenmodes and transfer functions in waveguide WDM structures

NASA Astrophysics Data System (ADS)

Mashkov, Vladimir A.; Francoeur, S.; Geuss, U.; Neiser, K.; Temkin, Henryk

1998-02-01

A method of propagation functions and transfer amplitudes suitable for the design of integrated optical circuits is presented. The method is based on vectorial formulation of electrodynamics: the distributions and propagation of electromagnetic fields in optical circuits is described by equivalent surface sources. This approach permits a division of complex optical waveguide structures into sets of primitive blocks and to separately calculate the transfer function and the transfer amplitude for each block. The transfer amplitude of the entire optical system is represented by a convolution of transfer amplitudes of its primitive blocks. The eigenvalues and eigenfunctions of arbitrary waveguide structure are obtained in the WKB approximation and compared with other methods. The general approach is illustrated with the transfer amplitude calculations for Dragone's star coupler and router.
β-Globin-Expressing Definitive Erythroid Progenitor Cells Generated from Embryonic and Induced Pluripotent Stem Cell-Derived Sacs.

PubMed

Fujita, Atsushi; Uchida, Naoya; Haro-Mora, Juan J; Winkler, Thomas; Tisdale, John

2016-06-01

Human embryonic stem (ES) cells and induced pluripotent stem (iPS) cells represent a potential alternative source for red blood cell transfusion. However, when using traditional methods with embryoid bodies, ES cell-derived erythroid cells predominantly express embryonic type ɛ-globin, with lesser fetal type γ-globin and very little adult type β-globin. Furthermore, no β-globin expression is detected in iPS cell-derived erythroid cells. ES cell-derived sacs (ES sacs) have been recently used to generate functional platelets. Due to its unique structure, we hypothesized that ES sacs serve as hemangioblast-like progenitors capable to generate definitive erythroid cells that express β-globin. With our ES sac-derived erythroid differentiation protocol, we obtained ∼120 erythroid cells per single ES cell. Both primitive (ɛ-globin expressing) and definitive (γ- and β-globin expressing) erythroid cells were generated from not only ES cells but also iPS cells. Primitive erythropoiesis is gradually switched to definitive erythropoiesis during prolonged ES sac maturation, concurrent with the emergence of hematopoietic progenitor cells. Primitive and definitive erythroid progenitor cells were selected on the basis of glycophorin A or CD34 expression from cells within the ES sacs before erythroid differentiation. This selection and differentiation strategy represents an important step toward the development of in vitro erythroid cell production systems from pluripotent stem cells. Further optimization to improve expansion should be required for clinical application. Stem Cells 2016;34:1541-1552. © 2016 AlphaMed Press.
Young Children and Turtle Graphics Programming: Understanding Turtle Commands.

ERIC Educational Resources Information Center

Cuneo, Diane O.

The LOGO programing language developed for children includes a set of primitive graphics commands that control the displacement and rotation of a display screen cursor called a turtle. The purpose of this study was to examine 4- to 7-year-olds' understanding of single turtle commands as transformations that connect turtle states and to…
A Classification Metric for Computer Procedures in a Structured Educational Environment.

ERIC Educational Resources Information Center

Linton, M. J.; And Others

Use of a computer programming language in problem-solving activities provides an opportunity to examine how young children use a restricted set of language primitives. The generation, and execution of computer instructions was used as a verification stage in the problem-solution process. The metric is intended to provide a descriptive…
The design of an intelligent human-computer interface for the test, control and monitor system

NASA Technical Reports Server (NTRS)

Shoaff, William D.

1988-01-01

The graphical intelligence and assistance capabilities of a human-computer interface for the Test, Control, and Monitor System at Kennedy Space Center are explored. The report focuses on how a particular commercial off-the-shelf graphical software package, Data Views, can be used to produce tools that build widgets such as menus, text panels, graphs, icons, windows, and ultimately complete interfaces for monitoring data from an application; controlling an application by providing input data to it; and testing an application by both monitoring and controlling it. A complete set of tools for building interfaces is described in a manual for the TCMS toolkit. Simple tools create primitive widgets such as lines, rectangles and text strings. Intermediate level tools create pictographs from primitive widgets, and connect processes to either text strings or pictographs. Other tools create input objects; Data Views supports output objects directly, thus output objects are not considered. Finally, a set of utilities for executing, monitoring use, editing, and displaying the content of interfaces is included in the toolkit.
PERIODIC AIR-BREATHING BEHAVIOUR IN A PRIMITIVE FISH REVEALED BY SPECTRAL ANALYSIS

PubMed

Hedrick; Katz; Jones

1994-12-01

The ventilatory patterns of air-breathing fish are commonly described as 'arrhythmic' or 'irregular' because the variable periods of breath-holding are punctuated by seemingly unpredictable air-breathing events (see Shelton et al. 1986). This apparent arrhythmicity contrasts with the perceived periodism or regularity in the gill ventilation patterns of some fish and with lung ventilation in birds and mammals. In this sense, periodism refers to behaviour that occurs with a definite, recurring interval (Bendat and Piersol, 1986). The characterisation of aerial ventilation patterns in fish as 'aperiodic' has been generally accepted on the basis of qualitative examination and it remains to be validated with rigorous testing. The bowfin, Amia calva (L.), is a primitive air-breathing fish that makes intermittent excursions to the airwater interface to gulp air, which is transferred to its well-vascularized gas bladder. Its phylogenetic position as the only extant member of the sister lineage of modern teleosts affords a unique opportunity to examine the evolution of aerial ventilation and provides a model for the examination of ventilatory patterns in primitive fishes. To establish whether Amia calva exhibit a particular pattern of air-breathing, we examined time series records of aerial ventilations from undisturbed fish over long periods (8 h). These records were the same as those used to calculate average ventilation intervals under a variety of experimental conditions (Hedrick and Jones, 1993). Their study also reported the occurrence of two distinct breath types. Type I breaths were characterised by an exhalation followed by an inhalation, whereas type II breaths were characterised by inhalation only. It was also hypothesized that the type I breaths were employed to meet oxygen demands, whereas the type II breaths were used to regulate gas bladder volume. However, they did not investigate the potential presence of a periodic ventilatory pattern. We now report the results of just such an analysis of ventilatory pattern that demonstrates a clear periodism to air-breathing in a primitive fish.
Surmounting the Cartesian Cut Through Philosophy, Physics, Logic, Cybernetics, and Geometry: Self-reference, Torsion, the Klein Bottle, the Time Operator, Multivalued Logics and Quantum Mechanics

NASA Astrophysics Data System (ADS)

Rapoport, Diego L.

2011-01-01

In this transdisciplinary article which stems from philosophical considerations (that depart from phenomenology—after Merleau-Ponty, Heidegger and Rosen—and Hegelian dialectics), we develop a conception based on topological (the Moebius surface and the Klein bottle) and geometrical considerations (based on torsion and non-orientability of manifolds), and multivalued logics which we develop into a unified world conception that surmounts the Cartesian cut and Aristotelian logic. The role of torsion appears in a self-referential construction of space and time, which will be further related to the commutator of the True and False operators of matrix logic, still with a quantum superposed state related to a Moebius surface, and as the physical field at the basis of Spencer-Brown's primitive distinction in the protologic of the calculus of distinction. In this setting, paradox, self-reference, depth, time and space, higher-order non-dual logic, perception, spin and a time operator, the Klein bottle, hypernumbers due to Musès which include non-trivial square roots of ±1 and in particular non-trivial nilpotents, quantum field operators, the transformation of cognition to spin for two-state quantum systems, are found to be keenly interwoven in a world conception compatible with the philosophical approach taken for basis of this article. The Klein bottle is found not only to be the topological in-formation for self-reference and paradox whose logical counterpart in the calculus of indications are the paradoxical imaginary time waves, but also a classical-quantum transformer (Hadamard's gate in quantum computation) which is indispensable to be able to obtain a complete multivalued logical system, and still to generate the matrix extension of classical connective Boolean logic. We further find that the multivalued logic that stems from considering the paradoxical equation in the calculus of distinctions, and in particular, the imaginary solutions to this equation, generates the matrix logic which supersedes the classical logic of connectives and which has for particular subtheories fuzzy and quantum logics. Thus, from a primitive distinction in the vacuum plane and the axioms of the calculus of distinction, we can derive by incorporating paradox, the world conception succinctly described above.
Hydrothermal Microflow Technology as a Research Tool for Origin-of-Life Studies in Extreme Earth Environments

PubMed Central

Kawamura, Kunio

2017-01-01

Although studies about the origin of life are a frontier in science and a number of effective approaches have been developed, drawbacks still exist. Examples include: (1) simulation of chemical evolution experiments (which were demonstrated for the first time by Stanley Miller); (2) approaches tracing back the most primitive life-like systems (on the basis of investigations of present organisms); and (3) constructive approaches for making life-like systems (on the basis of molecular biology), such as in vitro construction of the RNA world. Naturally, simulation experiments of chemical evolution under plausible ancient Earth environments have been recognized as a potentially fruitful approach. Nevertheless, simulation experiments seem not to be sufficient for identifying the scenario from molecules to life. This is because primitive Earth environments are still not clearly defined and a number of possibilities should be taken into account. In addition, such environments frequently comprise extreme conditions when compared to the environments of present organisms. Therefore, we need to realize the importance of accurate and convenient experimental approaches that use practical research tools, which are resistant to high temperature and pressure, to facilitate chemical evolution studies. This review summarizes improvements made in such experimental approaches over the last two decades, focusing primarily on our hydrothermal microflow reactor technology. Microflow reactor systems are a powerful tool for performing simulation experiments in diverse simulated hydrothermal Earth conditions in order to measure the kinetics of formation and degradation and the interactions of biopolymers. PMID:28974048
An error-tuned model for sensorimotor learning

PubMed Central

Sadeghi, Mohsen; Wolpert, Daniel M.

2017-01-01

Current models of sensorimotor control posit that motor commands are generated by combining multiple modules which may consist of internal models, motor primitives or motor synergies. The mechanisms which select modules based on task requirements and modify their output during learning are therefore critical to our understanding of sensorimotor control. Here we develop a novel modular architecture for multi-dimensional tasks in which a set of fixed primitives are each able to compensate for errors in a single direction in the task space. The contribution of the primitives to the motor output is determined by both top-down contextual information and bottom-up error information. We implement this model for a task in which subjects learn to manipulate a dynamic object whose orientation can vary. In the model, visual information regarding the context (the orientation of the object) allows the appropriate primitives to be engaged. This top-down module selection is implemented by a Gaussian function tuned for the visual orientation of the object. Second, each module's contribution adapts across trials in proportion to its ability to decrease the current kinematic error. Specifically, adaptation is implemented by cosine tuning of primitives to the current direction of the error, which we show to be theoretically optimal for reducing error. This error-tuned model makes two novel predictions. First, interference should occur between alternating dynamics only when the kinematic errors associated with each oppose one another. In contrast, dynamics which lead to orthogonal errors should not interfere. Second, kinematic errors alone should be sufficient to engage the appropriate modules, even in the absence of contextual information normally provided by vision. We confirm both these predictions experimentally and show that the model can also account for data from previous experiments. Our results suggest that two interacting processes account for module selection during sensorimotor control and learning. PMID:29253869
A Deformable Generic 3D Model of Haptoral Anchor of Monogenean

PubMed Central

Teo, Bee Guan; Dhillon, Sarinder Kaur; Lim, Lee Hong Susan

2013-01-01

In this paper, a digital 3D model which allows for visualisation in three dimensions and interactive manipulation is explored as a tool to help us understand the structural morphology and elucidate the functions of morphological structures of fragile microorganisms which defy live studies. We developed a deformable generic 3D model of haptoral anchor of dactylogyridean monogeneans that can subsequently be deformed into different desired anchor shapes by using direct manipulation deformation technique. We used point primitives to construct the rectangular building blocks to develop our deformable 3D model. Point primitives are manually marked on a 2D illustration of an anchor on a Cartesian graph paper and a set of Cartesian coordinates for each point primitive is manually extracted from the graph paper. A Python script is then written in Blender to construct 3D rectangular building blocks based on the Cartesian coordinates. The rectangular building blocks are stacked on top or by the side of each other following their respective Cartesian coordinates of point primitive. More point primitives are added at the sites in the 3D model where more structural variations are likely to occur, in order to generate complex anchor structures. We used Catmull-Clark subdivision surface modifier to smoothen the surface and edge of the generic 3D model to obtain a smoother and more natural 3D shape and antialiasing option to reduce the jagged edges of the 3D model. This deformable generic 3D model can be deformed into different desired 3D anchor shapes through direct manipulation deformation technique by aligning the vertices (pilot points) of the newly developed deformable generic 3D model onto the 2D illustrations of the desired shapes and moving the vertices until the desire 3D shapes are formed. In this generic 3D model all the vertices present are deployed for displacement during deformation. PMID:24204903
A deformable generic 3D model of haptoral anchor of Monogenean.

PubMed

Teo, Bee Guan; Dhillon, Sarinder Kaur; Lim, Lee Hong Susan

2013-01-01

In this paper, a digital 3D model which allows for visualisation in three dimensions and interactive manipulation is explored as a tool to help us understand the structural morphology and elucidate the functions of morphological structures of fragile microorganisms which defy live studies. We developed a deformable generic 3D model of haptoral anchor of dactylogyridean monogeneans that can subsequently be deformed into different desired anchor shapes by using direct manipulation deformation technique. We used point primitives to construct the rectangular building blocks to develop our deformable 3D model. Point primitives are manually marked on a 2D illustration of an anchor on a Cartesian graph paper and a set of Cartesian coordinates for each point primitive is manually extracted from the graph paper. A Python script is then written in Blender to construct 3D rectangular building blocks based on the Cartesian coordinates. The rectangular building blocks are stacked on top or by the side of each other following their respective Cartesian coordinates of point primitive. More point primitives are added at the sites in the 3D model where more structural variations are likely to occur, in order to generate complex anchor structures. We used Catmull-Clark subdivision surface modifier to smoothen the surface and edge of the generic 3D model to obtain a smoother and more natural 3D shape and antialiasing option to reduce the jagged edges of the 3D model. This deformable generic 3D model can be deformed into different desired 3D anchor shapes through direct manipulation deformation technique by aligning the vertices (pilot points) of the newly developed deformable generic 3D model onto the 2D illustrations of the desired shapes and moving the vertices until the desire 3D shapes are formed. In this generic 3D model all the vertices present are deployed for displacement during deformation.
Dynamic Primitives of Motor Behavior

PubMed Central

Hogan, Neville; Sternad, Dagmar

2013-01-01

We present in outline a theory of sensorimotor control based on dynamic primitives, which we define as attractors. To account for the broad class of human interactive behaviors—especially tool use—we propose three distinct primitives: submovements, oscillations and mechanical impedances, the latter necessary for interaction with objects. Due to fundamental features of the neuromuscular system, most notably its slow response, we argue that encoding in terms of parameterized primitives may be an essential simplification required for learning, performance, and retention of complex skills. Primitives may simultaneously and sequentially be combined to produce observable forces and motions. This may be achieved by defining a virtual trajectory composed of submovements and/or oscillations interacting with impedances. Identifying primitives requires care: in principle, overlapping submovements would be sufficient to compose all observed movements but biological evidence shows that oscillations are a distinct primitive. Conversely, we suggest that kinematic synergies, frequently discussed as primitives of complex actions, may be an emergent consequence of neuromuscular impedance. To illustrate how these dynamic primitives may account for complex actions, we briefly review three types of interactive behaviors: constrained motion, impact tasks, and manipulation of dynamic objects. PMID:23124919

Big data analytics workflow management for eScience

NASA Astrophysics Data System (ADS)

Fiore, Sandro; D'Anca, Alessandro; Palazzo, Cosimo; Elia, Donatello; Mariello, Andrea; Nassisi, Paola; Aloisio, Giovanni

2015-04-01

In many domains such as climate and astrophysics, scientific data is often n-dimensional and requires tools that support specialized data types and primitives if it is to be properly stored, accessed, analysed and visualized. Currently, scientific data analytics relies on domain-specific software and libraries providing a huge set of operators and functionalities. However, most of these software fail at large scale since they: (i) are desktop based, rely on local computing capabilities and need the data locally; (ii) cannot benefit from available multicore/parallel machines since they are based on sequential codes; (iii) do not provide declarative languages to express scientific data analysis tasks, and (iv) do not provide newer or more scalable storage models to better support the data multidimensionality. Additionally, most of them: (v) are domain-specific, which also means they support a limited set of data formats, and (vi) do not provide a workflow support, to enable the construction, execution and monitoring of more complex "experiments". The Ophidia project aims at facing most of the challenges highlighted above by providing a big data analytics framework for eScience. Ophidia provides several parallel operators to manipulate large datasets. Some relevant examples include: (i) data sub-setting (slicing and dicing), (ii) data aggregation, (iii) array-based primitives (the same operator applies to all the implemented UDF extensions), (iv) data cube duplication, (v) data cube pivoting, (vi) NetCDF-import and export. Metadata operators are available too. Additionally, the Ophidia framework provides array-based primitives to perform data sub-setting, data aggregation (i.e. max, min, avg), array concatenation, algebraic expressions and predicate evaluation on large arrays of scientific data. Bit-oriented plugins have also been implemented to manage binary data cubes. Defining processing chains and workflows with tens, hundreds of data analytics operators is the real challenge in many practical scientific use cases. This talk will specifically address the main needs, requirements and challenges regarding data analytics workflow management applied to large scientific datasets. Three real use cases concerning analytics workflows for sea situational awareness, fire danger prevention, climate change and biodiversity will be discussed in detail.
Formal Compiler Implementation in a Logical Framework

DTIC Science & Technology

2003-04-29

variable set [], we omit the brackets and use the simpler notation v. MetaPRL is a tactic-based prover that uses OCaml [20] as its meta-language. When a...rewrite is defined in MetaPRL, the framework creates an OCaml expression that can be used to apply the rewrite. Code to guide the application of...rewrites is written in OCaml , using a rich set of primitives provided by MetaPRL. MetaPRL automates the construction of most guidance code; we describe
Influence of H2O on Liquidus Temperatures of Primitive Basalts and Olivine-Liquid Thermometry.

NASA Astrophysics Data System (ADS)

Medard, E.; Grove, T. L.

2005-12-01

We have undertaken a systematic experimental study aimed at understanding the effect of water on olivine liquidus temperatures of primitive basalts. Experiments have been performed on a primitive tholeiitic basalt from Medicine Lake Volcano, California (sample 82-72f, Bartels et al. 1991). The dry liquidus has been characterized from 0.1 MPa to 1.2 GPa. The wet liquidus has been constrained to within 15 °C using water-saturated experiments performed in a MHC externally heated pressure vessel. Preliminary results show that the olivine-liquidus depression (i.e., the difference between dry and water-bearing liquidus) is essentially a linear function of the water content of the melt: ΔT = 560  X(HO0.5), where X(HO0.5) is the mole fraction of water, calculated on a single-cation oxide basis. For 82-72f, this roughly translates into a 30 °C / wt% H2O depression. Simple systems (e.g., diopside/H2O, albite/H2O) suggest that melt structure / composition may have an influence on H2O liquidus depression, and this potential influence is currently under investigation. Experimental phase equilibria and thermobarometry of primitive basalts provide the primary evidence for estimating melting conditions and thermal structures in the Earth's mantle. Assessing the influence of H2O is critical, because it is the dominant volatile component involved in igneous processes, and it has been shown to cause a significant reduction in liquidus temperatures. However, recent model parameterizations vary from very large effects at low H2O contents (about 75 °C at 1 wt% H2O, Falloon and Danyushevsky 2000) to linear effect of H2O vs liquidus temperature (about 25 °C at 1 wt% H2O, Sugawara 2000). Our experimental determination more closely approximates the latter model. A key consequence is that the presence of small amounts of water in MORB magmas (< 1wt%) will only have a very small effect (< 30 °C) on liquidus temperature determination for mid-ocean-ridges. For magmas that are more water-rich, as observed in subduction zones, ocean island and continental magmatism, this parameterization of H2O liquidus depression can be included in existing thermodynamic models to retrieve magmatic temperatures from petrology of primitive basalts.
Segmentation of Large Unstructured Point Clouds Using Octree-Based Region Growing and Conditional Random Fields

NASA Astrophysics Data System (ADS)

Bassier, M.; Bonduel, M.; Van Genechten, B.; Vergauwen, M.

2017-11-01

Point cloud segmentation is a crucial step in scene understanding and interpretation. The goal is to decompose the initial data into sets of workable clusters with similar properties. Additionally, it is a key aspect in the automated procedure from point cloud data to BIM. Current approaches typically only segment a single type of primitive such as planes or cylinders. Also, current algorithms suffer from oversegmenting the data and are often sensor or scene dependent. In this work, a method is presented to automatically segment large unstructured point clouds of buildings. More specifically, the segmentation is formulated as a graph optimisation problem. First, the data is oversegmented with a greedy octree-based region growing method. The growing is conditioned on the segmentation of planes as well as smooth surfaces. Next, the candidate clusters are represented by a Conditional Random Field after which the most likely configuration of candidate clusters is computed given a set of local and contextual features. The experiments prove that the used method is a fast and reliable framework for unstructured point cloud segmentation. Processing speeds up to 40,000 points per second are recorded for the region growing. Additionally, the recall and precision of the graph clustering is approximately 80%. Overall, nearly 22% of oversegmentation is reduced by clustering the data. These clusters will be classified and used as a basis for the reconstruction of BIM models.
Spatial Rack Drives Pitch Configurations: Essence and Content

NASA Astrophysics Data System (ADS)

Abadjieva, Emilia; Abadjiev, Valentin; Naganawa, Akihiro

2018-03-01

The practical realization of all types of mechanical motions converters is preceded by solving the task of their kinematic synthesis. In this way, the determination of the optimal values of the constant geometrical parameters of the chosen structure of the created mechanical system is achieved. The searched result is a guarantee of the preliminary defined kinematic characteristics of the synthesized transmission and in the first place, to guarantee the law of motions transformation. The kinematic synthesis of mechanical transmissions is based on adequate mathematical modelling of the process of motions transformation and on the object, realizing this transformation. Basic primitives of the mathematical models for synthesis upon a pitch contact point are geometric and kinematic pitch configurations. Their dimensions and mutual position in space are the input parameters for the processes of design and elaboration of the synthesized mechanical device. The study presented here is a brief review of the theory of pitch configurations. It is an independent scientific branch of the spatial gearing theory (theory of hyperboloid gears). On this basis, the essence and content of the corresponding primitives, applicable to the synthesis of spatial rack drives, are defined.
Using Prosopagnosia to Test and Modify Visual Recognition Theory.

PubMed

O'Brien, Alexander M

2018-02-01

Biederman's contemporary theory of basic visual object recognition (Recognition-by-Components) is based on structural descriptions of objects and presumes 36 visual primitives (geons) people can discriminate, but there has been no empirical test of the actual use of these 36 geons to visually distinguish objects. In this study, we tested for the actual use of these geons in basic visual discrimination by comparing object discrimination performance patterns (when distinguishing varied stimuli) of an acquired prosopagnosia patient (LB) and healthy control participants. LB's prosopagnosia left her heavily reliant on structural descriptions or categorical object differences in visual discrimination tasks versus the control participants' additional ability to use face recognition or coordinate systems (Coordinate Relations Hypothesis). Thus, when LB performed comparably to control participants with a given stimulus, her restricted reliance on basic or categorical discriminations meant that the stimuli must be distinguishable on the basis of a geon feature. By varying stimuli in eight separate experiments and presenting all 36 geons, we discerned that LB coded only 12 (vs. 36) distinct visual primitives (geons), apparently reflective of human visual systems generally.
On the efficiency of treating singularities in triatomic variational vibrational computations. The vibrational states of H(+)3 up to dissociation.

PubMed

Szidarovszky, Tamás; Császár, Attila G; Czakó, Gábor

2010-08-01

Several techniques of varying efficiency are investigated, which treat all singularities present in the triatomic vibrational kinetic energy operator given in orthogonal internal coordinates of the two distances-one angle type. The strategies are based on the use of a direct-product basis built from one-dimensional discrete variable representation (DVR) bases corresponding to the two distances and orthogonal Legendre polynomials, or the corresponding Legendre-DVR basis, corresponding to the angle. The use of Legendre functions ensures the efficient treatment of the angular singularity. Matrix elements of the singular radial operators are calculated employing DVRs using the quadrature approximation as well as special DVRs satisfying the boundary conditions and thus allowing for the use of exact DVR expressions. Potential optimized (PO) radial DVRs, based on one-dimensional Hamiltonians with potentials obtained by fixing or relaxing the two non-active coordinates, are also studied. The numerical calculations employed Hermite-DVR, spherical-oscillator-DVR, and Bessel-DVR bases as the primitive radial functions. A new analytical formula is given for the determination of the matrix elements of the singular radial operator using the Bessel-DVR basis. The usually claimed failure of the quadrature approximation in certain singular integrals is revisited in one and three dimensions. It is shown that as long as no potential optimization is carried out the quadrature approximation works almost as well as the exact DVR expressions. If wave functions with finite amplitude at the boundary are to be computed, the basis sets need to meet the required boundary conditions. The present numerical results also confirm that PO-DVRs should be constructed employing relaxed potentials and PO-DVRs can be useful for optimizing quadrature points for calculations applying large coordinate intervals and describing large-amplitude motions. The utility and efficiency of the different algorithms is demonstrated by the computation of converged near-dissociation vibrational energy levels for the H molecular ion.
The quantum dynamics of electronically nonadiabatic chemical reactions

NASA Technical Reports Server (NTRS)

Truhlar, Donald G.

1993-01-01

Considerable progress was achieved on the quantum mechanical treatment of electronically nonadiabatic collisions involving energy transfer and chemical reaction in the collision of an electronically excited atom with a molecule. In the first step, a new diabatic representation for the coupled potential energy surfaces was created. A two-state diabatic representation was developed which was designed to realistically reproduce the two lowest adiabatic states of the valence bond model and also to have the following three desirable features: (1) it is more economical to evaluate; (2) it is more portable; and (3) all spline fits are replaced by analytic functions. The new representation consists of a set of two coupled diabatic potential energy surfaces plus a coupling surface. It is suitable for dynamics calculations on both the electronic quenching and reaction processes in collisions of Na(3p2p) with H2. The new two-state representation was obtained by a three-step process from a modified eight-state diatomics-in-molecules (DIM) representation of Blais. The second step required the development of new dynamical methods. A formalism was developed for treating reactions with very general basis functions including electronically excited states. Our formalism is based on the generalized Newton, scattered wave, and outgoing wave variational principles that were used previously for reactive collisions on a single potential energy surface, and it incorporates three new features: (1) the basis functions include electronic degrees of freedom, as required to treat reactions involving electronic excitation and two or more coupled potential energy surfaces; (2) the primitive electronic basis is assumed to be diabatic, and it is not assumed that it diagonalizes the electronic Hamiltonian even asymptotically; and (3) contracted basis functions for vibrational-rotational-orbital degrees of freedom are included in a very general way, similar to previous prescriptions for locally adiabatic functions in various quantum scattering algorithms.
The Self-Regulating Brain: Cortical-Subcortical Feedback and the Development of Intelligent Action

ERIC Educational Resources Information Center

Lewis, Marc D.; Todd, Rebecca M.

2007-01-01

To speak of cognitive regulation versus emotion regulation may be misleading. However, some forms of regulation are carried out by executive processes, subject to voluntary control, while others are carried out by "automatic" processes that are far more primitive. Both sets of processes are in constant interaction, and that interaction gives rise…
NSW Executive Enhancements

DTIC Science & Technology

1981-06-01

independently on the same network. Given this reduction in scale, the projected impl widely distributed, fully replicated, synchronized dat design...Manager that "owns" other resources. This strategy requires minimum synchronization while providing advantages in reliability and robustness. 2 3...interactive tools on TENEX, transparent file motion and translation, and a primitive set of project management functions. This demonstration confirmed that
An Open Source Agenda for Research Linking Text and Image Content Features.

ERIC Educational Resources Information Center

Goodrum, Abby A.; Rorvig, Mark E.; Jeong, Ki-Tai; Suresh, Chitturi

2001-01-01

Proposes methods to utilize image primitives to support term assignment for image classification. Proposes to release code for image analysis in a common tool set for other researchers to use. Of particular focus is the expansion of work by researchers in image indexing to include image content-based feature extraction capabilities in their work.…
Production, Comprehension, and Theories of the Mental Lexicon. CUNYForum, Numbers 5-6.

ERIC Educational Resources Information Center

Cowart, Wayne

Problems related to the structure of the mental lexicon are considered. The single access assumption, the passive memory assumption, and the heterogeneous memory assumption are rejected in favor of the theory which assumes several active memories, each able to store expression based on only one homogenous set of abstract primitives. One lexicon…
The mevalonate pathway regulates primitive streak formation via protein farnesylation

PubMed Central

Okamoto-Uchida, Yoshimi; Yu, Ruoxing; Miyamura, Norio; Arima, Norie; Ishigami-Yuasa, Mari; Kagechika, Hiroyuki; Yoshida, Suguru; Hosoya, Takamitsu; Nawa, Makiko; Kasama, Takeshi; Asaoka, Yoichi; Alois, Reiner Wimmer; Elling, Ulrich; Penninger, Josef M.; Nishina, Sachiko; Azuma, Noriyuki; Nishina, Hiroshi

2016-01-01

The primitive streak in peri-implantation embryos forms the mesoderm and endoderm and controls cell differentiation. The metabolic cues regulating primitive streak formation remain largely unknown. Here we utilised a mouse embryonic stem (ES) cell differentiation system and a library of well-characterised drugs to identify these metabolic factors. We found that statins, which inhibit the mevalonate metabolic pathway, suppressed primitive streak formation in vitro and in vivo. Using metabolomics and pharmacologic approaches we identified the downstream signalling pathway of mevalonate and revealed that primitive streak formation requires protein farnesylation but not cholesterol synthesis. A tagging-via-substrate approach revealed that nuclear lamin B1 and small G proteins were farnesylated in embryoid bodies and important for primitive streak gene expression. In conclusion, protein farnesylation driven by the mevalonate pathway is a metabolic cue essential for primitive streak formation. PMID:27883036
Integration of Mesh Optimization with 3D All-Hex Mesh Generation, LDRD Subcase 3504340000, Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

KNUPP,PATRICK; MITCHELL,SCOTT A.

1999-11-01

In an attempt to automatically produce high-quality all-hex meshes, we investigated a mesh improvement strategy: given an initial poor-quality all-hex mesh, we iteratively changed the element connectivity, adding and deleting elements and nodes, and optimized the node positions. We found a set of hex reconnection primitives. We improved the optimization algorithms so they can untangle a negative-Jacobian mesh, even considering Jacobians on the boundary, and subsequently optimize the condition number of elements in an untangled mesh. However, even after applying both the primitives and optimization we were unable to produce high-quality meshes in certain regions. Our experiences suggest that manymore » boundary configurations of quadrilaterals admit no hexahedral mesh with positive Jacobians, although we have no proof of this.« less
Structural elements and organization of the ancestral translational machinery

NASA Technical Reports Server (NTRS)

Rein, R.; Srinivasan, S.; Mcdonald, J.; Raghunathan, G.; Shibata, M.

1987-01-01

The molecular mechanisms of the primitive translational apparatus are discussed in the framework of present-day protein biosynthesis. The structural necessities of an early adaptor and the multipoint recognition properties of such an adaptor are investigated on the basis of structure/function relationships found in a contemporary system and a molecular model of the contemporary transpeptidation complex. A model of the tRNA(Tyr)-tyrosyl tRNA synthetase complex including the positioning of the disordered region is proposed; the model is used to illustrate the required recognition properties of the ancestor aminoacyl synthetase.
A review of EO image information mining

NASA Astrophysics Data System (ADS)

Quartulli, Marco; Olaizola, Igor G.

2013-01-01

We analyze the state of the art of content-based retrieval in Earth observation image archives focusing on complete systems showing promise for operational implementation. The different paradigms at the basis of the main system families are introduced. The approaches taken are considered, focusing in particular on the phases after primitive feature extraction. The solutions envisaged for the issues related to feature simplification and synthesis, indexing, semantic labeling are reviewed. The methodologies for query specification and execution are evaluated. Conclusions are drawn on the state of published research in Earth observation (EO) mining.
18F-FLT Positron Emission Tomography and Diffusion-Weighted Magnetic Resonance Imaging in Planning Surgery and Radiation Therapy and Measuring Response in Patients With Newly Diagnosed Ewing Sarcoma

ClinicalTrials.gov

2017-11-16

Adult Supratentorial Primitive Neuroectodermal Tumor (PNET); Ewing Sarcoma of Bone; Extraosseous Ewing Sarcoma; Localized Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor; Metastatic Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor; Untreated Childhood Supratentorial Primitive Neuroectodermal Tumor
Diagnostic Study of Tumor Characteristics in Patients With Ewing's Sarcoma

ClinicalTrials.gov

2013-06-20

Localized Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor; Metastatic Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor; Recurrent Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor
Effects of primitive photosynthesis on Earth's early climate system

NASA Astrophysics Data System (ADS)

Ozaki, Kazumi; Tajika, Eiichi; Hong, Peng K.; Nakagawa, Yusuke; Reinhard, Christopher T.

2018-01-01

The evolution of different forms of photosynthetic life has profoundly altered the activity level of the biosphere, radically reshaping the composition of Earth's oceans and atmosphere over time. However, the mechanistic impacts of a primitive photosynthetic biosphere on Earth's early atmospheric chemistry and climate are poorly understood. Here, we use a global redox balance model to explore the biogeochemical and climatological effects of different forms of primitive photosynthesis. We find that a hybrid ecosystem of H2-based and Fe2+-based anoxygenic photoautotrophs—organisms that perform photosynthesis without producing oxygen—gives rise to a strong nonlinear amplification of Earth's methane (CH4) cycle, and would thus have represented a critical component of Earth's early climate system before the advent of oxygenic photosynthesis. Using a Monte Carlo approach, we find that a hybrid photosynthetic biosphere widens the range of geochemical conditions that allow for warm climate states well beyond either of these metabolic processes acting in isolation. Our results imply that the Earth's early climate was governed by a novel and poorly explored set of regulatory feedbacks linking the anoxic biosphere and the coupled H, C and Fe cycles. We suggest that similar processes should be considered when assessing the potential for sustained habitability on Earth-like planets with reducing atmospheres.
Single molecules can operate as primitive biological sensors, switches and oscillators.

PubMed

Hernansaiz-Ballesteros, Rosa D; Cardelli, Luca; Csikász-Nagy, Attila

2018-06-18

Switch-like and oscillatory dynamical systems are widely observed in biology. We investigate the simplest biological switch that is composed of a single molecule that can be autocatalytically converted between two opposing activity forms. We test how this simple network can keep its switching behaviour under perturbations in the system. We show that this molecule can work as a robust bistable system, even for alterations in the reactions that drive the switching between various conformations. We propose that this single molecule system could work as a primitive biological sensor and show by steady state analysis of a mathematical model of the system that it could switch between possible states for changes in environmental signals. Particularly, we show that a single molecule phosphorylation-dephosphorylation switch could work as a nucleotide or energy sensor. We also notice that a given set of reductions in the reaction network can lead to the emergence of oscillatory behaviour. We propose that evolution could have converted this switch into a single molecule oscillator, which could have been used as a primitive timekeeper. We discuss how the structure of the simplest known circadian clock regulatory system, found in cyanobacteria, resembles the proposed single molecule oscillator. Besides, we speculate if such minimal systems could have existed in an RNA world.

Sandboxes for Model-Based Inquiry

NASA Astrophysics Data System (ADS)

Brady, Corey; Holbert, Nathan; Soylu, Firat; Novak, Michael; Wilensky, Uri

2015-04-01

In this article, we introduce a class of constructionist learning environments that we call Emergent Systems Sandboxes ( ESSs), which have served as a centerpiece of our recent work in developing curriculum to support scalable model-based learning in classroom settings. ESSs are a carefully specified form of virtual construction environment that support students in creating, exploring, and sharing computational models of dynamic systems that exhibit emergent phenomena. They provide learners with "entity"-level construction primitives that reflect an underlying scientific model. These primitives can be directly "painted" into a sandbox space, where they can then be combined, arranged, and manipulated to construct complex systems and explore the emergent properties of those systems. We argue that ESSs offer a means of addressing some of the key barriers to adopting rich, constructionist model-based inquiry approaches in science classrooms at scale. Situating the ESS in a large-scale science modeling curriculum we are implementing across the USA, we describe how the unique "entity-level" primitive design of an ESS facilitates knowledge system refinement at both an individual and social level, we describe how it supports flexible modeling practices by providing both continuous and discrete modes of executability, and we illustrate how it offers students a variety of opportunities for validating their qualitative understandings of emergent systems as they develop.
Collecting and Storing Biological Samples From Patients With Ewing Sarcoma

ClinicalTrials.gov

2017-12-11

Askin Tumor; Localized Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor; Metastatic Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor; Recurrent Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor
Exploiting Virtual Synchrony in Distributed Systems

DTIC Science & Technology

1987-02-01

for distributed systems yield the best performance relative to the level of synchronization guaranteed by the primitive . A pro- grammer could then... synchronization facility. Semaphores Replicated binary and general semaphores . Monitors Monitor lock, condition variables and signals. Deadlock detection...We describe applications of a new software abstraction called the virtually synchronous process group. Such a group consists of a set of processes
Introductory Talk: Whole Frog Project

Science.gov Websites

geometric primitives (points, lines, polygons, etc.) that accurately represent the shape of the surface constant value (color). This operation effectively defines the boundary between areas of different color about 10 seconds on a 56K baud modem. The controls can be set to send compressed images of 3 different
Rotational kinematics of a rigid body about a fixed axis: development and analysis of an inventory

NASA Astrophysics Data System (ADS)

Mashood, K. K.; Singh, Vijay A.

2015-07-01

We present the development, administration, and analysis of a focused inventory on the rotational kinematics of a rigid body around a fixed axis. The inventory, which is made up of 13 multiple-choice questions, was developed on the basis of interactions with students and teachers. The systematic and iterative aspects of the construction of the inventory are illustrated. The questions, which were validated, were administered to a set of teachers (N = 25) and two groups of preuniversity students (N = 74 and 905) in India. Students, as well as teachers, exhibited difficulties in applying the operational definition of angular velocity to a rigid body. Many erroneously assumed that an angular acceleration cannot exist without a net torque. Patterns of reasoning resulting in errors were identified and categorized under four broad themes. These include inappropriate extensions of familiar procedural practices, reasoning cued by primitive elements in thought, lack of differentiation between related but distinct concepts, and indiscriminate use of equations. The inventory was also administered to introductory-level students (N = 384) at the University of Washington. Popular distractors to most items were similar to the Indian students.
Computer-generated holograms (CGH) realization: the integration of dedicated software tool with digital slides printer

NASA Astrophysics Data System (ADS)

Guarnieri, Vittorio; Francini, Franco

1997-12-01

Last generation of digital printer is usually characterized by a spatial resolution enough high to allow the designer to realize a binary CGH directly on a transparent film avoiding photographic reduction techniques. These devices are able to produce slides or offset prints. Furthermore, services supplied by commercial printing company provide an inexpensive method to rapidly verify the validity of the design by means of a test-and-trial process. Notably, this low-cost approach appears to be suitable for a didactical environment. On the basis of these considerations, a set of software tools able to design CGH's has been developed. The guidelines inspiring the work have been the following ones: (1) ray-tracing approach, considering the object to be reproduced as source of spherical waves; (2) Optimization and speed-up of the algorithms used, in order to produce a portable code, runnable on several hardware platforms. In this paper calculation methods to obtain some fundamental geometric functions (points, lines, curves) are described. Furthermore, by the juxtaposition of these primitives functions it is possible to produce the holograms of more complex objects. Many examples of generated CGHs are presented.
Experimental Phase Relations of Hydrous, Primitive Melts: Implications for variably depleted mantle melting in arcs and the generation of primitive high-SiO2 melts

NASA Astrophysics Data System (ADS)

Weaver, S.; Wallace, P. J.; Johnston, A.

2010-12-01

There has been considerable experimental and theoretical work on how the introduction of H2O-rich fluids into the mantle wedge affects partial melting in arcs and chemical evolution of mantle melts as they migrate through the mantle. Studies aimed at describing these processes have become largely quantitative, with an emphasis on creating models that suitably predict the production and evolution of melts and describe the thermal state of arcs worldwide. A complete experimental data set that explores the P-T conditions of melt generation and subsequent melt extraction is crucial to the development, calibration, and testing of these models. This work adds to that data set by constraining the P-T-H2O conditions of primary melt extraction from two end-member subduction zones, a continental arc (Mexico) and an intraoceanic arc (Aleutians). We present our data in context with primitive melts found worldwide and with other experimental studies of melts produced from fertile and variably depleted mantle sources. Additionally, we compare our experimental results to melt compositions predicted by empirical and thermodynamic models. We used a piston-cylinder apparatus and employed an inverse approach in our experiments, constraining the permissible mantle residues with which our melts could be in equilibrium. We confirmed our inverse approach with forced saturation experiments at the P-T-H2O conditions of melt-mantle equilibration. Our experimental results show that a primitive, basaltic andesite melt (JR-28) from monogenetic cinder cone Volcan Jorullo (Central Mexico) last equilibrated with a harzburgite mantle residue at 1.2-1.4 GPa and 1150-1175°C with H2O contents in the range of 5.5-7 wt% H2O prior to ascent and eruption. Phase relations of a tholeiitic high-MgO basaltic melt (ID-16) from the Central Aleutians (Okmok) show the conditions of last equilibration with a fertile lherzolite mantle residue at shallower (1.2 GPa) but hotter (1275°C) conditions with approximately 2 wt% H2O. Given the estimated crustal thicknesses of these two regions, our data suggest that both samples equilibrate with mantle minerals just below the Moho. Recent viscosity dependent thermal models that account for slab geometry suggest that JR-28 melts last equilibrate with harzburgite in a cooler region of the mantle wedge. In contrast, ID-16 equilibrated with a fertile source near the hotter core of the mantle wedge. Our results support the hypothesis that lherzolite melting (wet or dry) produces essentially basaltic melts, whereas more Si-rich primitive melts require shallow hydrous melting of harzburgite or reequilibration of basaltic melts with harzburgite in the uppermost part of the wedge.
Equilibrium coexistence of three amphiboles

USGS Publications Warehouse

Robinson, P.; Jaffe, H.W.; Klein, C.; Ross, M.

1969-01-01

Electron probe and wet chemical analyses of amphibole pairs from the sillimanite zone of central Massachusetts and adjacent New Hampshire indicated that for a particular metamorphic grade there should be a restricted composition range in which three amphiboles can coexist stably. An unequivocal example of such an equilibrium three amphibole rock has been found in the sillimanite-orthoclase zone. It contains a colorless primitive clinoamphibole, space group P21/m, optically and chemically like cummingtonite with blue-green hornblende exsolution lamellae on (100) and (-101) of the host; blue-green hornblende, space group C2/m, with primitive cummingtonite exsolution lamellae on (100) and (-101) of the host; and pale pinkish tan anthophyllite, space group Pnma, that is free of visible exsolution lamellae but is a submicroscopic intergrowth of two orthorhombic amphiboles. Mutual contacts and coarse, oriented intergrowths of two and three host amphiboles indicate the three grew as an equilibrium assemblage prior to exsolution. Electron probe analyses at mutual three-amphibole contacts showed little variation in the composition of each amphibole. Analyses believed to represent most closely the primary amphibole compositions gave atomic proportions on the basis of 23 oxygens per formula unit as follows: for primitive cummingtonite (Na0.02Ca0.21- Mn0.06Fe2+2.28Mg4.12Al0.28) (Al0.17Si7.83), for hornblende (Na0.35Ca1.56Mn0.02Fe1.71Mg2.85Al0.92) (Al1.37Si6.63), and for anthophyllite (Na0.10Ca0.06Mn0.06Fe2.25Mg4.11Al0.47) (Al0.47Si7.53). The reflections violating C-symmetry, on X-ray single crystal photographs of the primitive cummingtonite, are weak and diffuse, and suggest a partial inversion from a C-centered to a primitive clinoamphibole. Single crystal photographs of the anthophyllite show split reflections indicating it is an intergrowth of about 80% anthophyllite and about 20% gedrite which differ in their b crystallographic dimensions. Split reflections are characteristic of all analyzed orthorhombic amphiboles so far examined from Massachusetts and New Hampshire except the most aluminous gedrites, and the relative intensity of the gedrite reflections is roughly proportional to the degree of Na and Al substitution. Thin sections of a few of these anthophyllite specimens show lamellae parallel to (010) that are just resolved with a high power objective. ?? 1969 Springer-Verlag.
Use of Optical Storage Devices as Shared Resources in Local Area Networks

DTIC Science & Technology

1989-09-01

13 3. SERVICE CALLS FOR MS-DOS CD-ROM EXTENSIONS . 14 4. MS-DOS PRIMITIVE GROUPS ....................... 15 5. RAM USAGE FOR VARIOUS LAN...17 2. Service Call Translation to DOS Primitives ............. 19 3. MS-DOS Device Drivers ............................. 21 4. MS-DOS/ROM...directed to I/O devices will be referred to as primitive instruction groups). These primitive instruction groups include keyboard, video, disk, serial
Method for concurrent execution of primitive operations by dynamically assigning operations based upon computational marked graph and availability of data

NASA Technical Reports Server (NTRS)

Mielke, Roland V. (Inventor); Stoughton, John W. (Inventor)

1990-01-01

Computationally complex primitive operations of an algorithm are executed concurrently in a plurality of functional units under the control of an assignment manager. The algorithm is preferably defined as a computationally marked graph contianing data status edges (paths) corresponding to each of the data flow edges. The assignment manager assigns primitive operations to the functional units and monitors completion of the primitive operations to determine data availability using the computational marked graph of the algorithm. All data accessing of the primitive operations is performed by the functional units independently of the assignment manager.
How to Spot a Primitive Black Hole

NASA Image and Video Library

2010-03-17

These two data plots from NASA Spitzer Space Telescope show a primitive supermassive black hole top compared to a typical one; usually, dust tori are missing and only gas disks are observed in primitive black holes.
Advanced Software Quality Assurance

DTIC Science & Technology

1977-03-01

Lamsweerde, "On an Extension of Dijkstra’s Semaphore Primitives ," Information Processing Letters, 1, North Holland Publishing Co., New York, October...definitions of the allowed operations, and synchronize cooperating tasks through Delay and Continue operations. ) 152 We will now give an example...that the monitor has been successful in solving the problem of exclusive access to the search return data set and at the same time has synchronized
Marine Vessel Traffic System

DTIC Science & Technology

2001-06-19

Queue Get Put The MutexQ module provides primitive queue operations which synchronize access to the queues and ensure queue structure integrity...interface provides for synchronous data rates ranging from 64 Kbps to 1.536 Mbps, while an RS-232 interface accommodates asynchronous data up to...interface VME Communications processor 57 and 8-channel serial I/O board. This board set provides a 68040 processor and 8-channels of synchronous
Geology and regional setting of the Al Masane ancient mine area, southeastern Arabian Shield, Kingdom of Saudi Arabia

USGS Publications Warehouse

Conway, Clay M.

1985-01-01

Chemical characteristics of volcanic rocks at Al Masane and elsewhere, along with features such as zinc-copper-iron sulfide mineralization, rhyolite-basalt bimodality, and the quartz phenocryst-rich nature of the felsic rocks, are compatible with an unusually primitive tholeiitic island-arc origin for the strata and mineral deposits of the Habawnah mineral belt.
Primitive erythrocytes are generated from hemogenic endothelial cells.

PubMed

Stefanska, Monika; Batta, Kiran; Patel, Rahima; Florkowska, Magdalena; Kouskoff, Valerie; Lacaud, Georges

2017-07-25

Primitive erythroblasts are the first blood cells generated during embryonic hematopoiesis. Tracking their emergence both in vivo and in vitro has remained challenging due to the lack of specific cell surface markers. To selectively investigate primitive erythropoiesis, we have engineered a new transgenic embryonic stem (ES) cell line, where eGFP expression is driven by the regulatory sequences of the embryonic βH1 hemoglobin gene expressed specifically in primitive erythroid cells. Using this ES cell line, we observed that the first primitive erythroblasts are detected in vitro around day 1.5 of blast colony differentiation, within the cell population positive for the early hematopoietic progenitor marker CD41. Moreover, we establish that these eGFP + cells emerge from a hemogenic endothelial cell population similarly to their definitive hematopoietic counterparts. We further generated a corresponding βH1-eGFP transgenic mouse model and demonstrated the presence of a primitive erythroid primed hemogenic endothelial cell population in the developing embryo. Taken together, our findings demonstrate that both in vivo and in vitro primitive erythrocytes are generated from hemogenic endothelial cells.
Basis sets for the calculation of core-electron binding energies

NASA Astrophysics Data System (ADS)

Hanson-Heine, Magnus W. D.; George, Michael W.; Besley, Nicholas A.

2018-05-01

Core-electron binding energies (CEBEs) computed within a Δ self-consistent field approach require large basis sets to achieve convergence with respect to the basis set limit. It is shown that supplementing a basis set with basis functions from the corresponding basis set for the element with the next highest nuclear charge (Z + 1) provides basis sets that give CEBEs close to the basis set limit. This simple procedure provides relatively small basis sets that are well suited for calculations where the description of a core-ionised state is important, such as time-dependent density functional theory calculations of X-ray emission spectroscopy.
Ifcwall Reconstruction from Unstructured Point Clouds

NASA Astrophysics Data System (ADS)

Bassier, M.; Klein, R.; Van Genechten, B.; Vergauwen, M.

2018-05-01

The automated reconstruction of Building Information Modeling (BIM) objects from point cloud data is still ongoing research. A key aspect is the creation of accurate wall geometry as it forms the basis for further reconstruction of objects in a BIM. After segmenting and classifying the initial point cloud, the labelled segments are processed and the wall topology is reconstructed. However, the preocedure is challenging due to noise, occlusions and the complexity of the input data.In this work, a method is presented to automatically reconstruct consistent wall geometry from point clouds. More specifically, the use of room information is proposed to aid the wall topology creation. First, a set of partial walls is constructed based on classified planar primitives. Next, the rooms are identified using the retrieved wall information along with the floors and ceilings. The wall topology is computed by the intersection of the partial walls conditioned on the room information. The final wall geometry is defined by creating IfcWallStandardCase objects conform the IFC4 standard. The result is a set of walls according to the as-built conditions of a building. The experiments prove that the used method is a reliable framework for wall reconstruction from unstructured point cloud data. Also, the implementation of room information reduces the rate of false positives for the wall topology. Given the walls, ceilings and floors, 94% of the rooms is correctly identified. A key advantage of the proposed method is that it deals with complex rooms and is not bound to single storeys.
Nascent body ego: metapsychological and neurophysiological aspects.

PubMed

Lehtonen, Johannes; Partanen, Juhani; Purhonen, Maija; Valkonen-Korhonen, Minna; Kononen, Mervi; Saarikoski, Seppo; Launiala, Kari

2006-10-01

For Freud, body ego was the organizing basis of the structural theory. He defined it as a psychic projection of the body surface. Isakower's and Lewin's classical findings suggest that the body surface experiences of nursing provide the infant with sensory-affective stimulation that initiates a projection of sensory processes towards the psychic realm. During nursing, somato-sensory, gustatory and olfactory modalities merge with a primitive somatic affect of satiation, whereas auditory modality is involved more indirectly and visual contact more gradually. Repeated regularly, such nascent experiences are likely to play a part in the organization of the primitive protosymbolic mental experience. In support of this hypothesis, the authors review findings from a neurophysiological study of infants before, during and after nursing. Nursing is associated with a significant amplitude change in the newborn electroencephalogram (EEG), which wanes before the age of 3 months, and is transformed at the age of 6 months into rhythmic 3-5 Hz hedonic theta-activity. Sucking requires active physiological work, which is shown in a regular rise in heart rate. The hypothesis of a sensory-affective organization of the nascent body ego, enhanced by nursing and active sucking, seems concordant with neurophysiological phenomena related to nursing.
Morphogenesis of univentricular hearts.

PubMed Central

Anderson, R H; Becker, A E; Wilkinson, J L; Gerlis, L M

1976-01-01

Two main theories exist for the explanation of univentricular hearts. One states that the bulboventricular septum becomes realigned to form the interventricular septum, and that univentricular hearts are a consequence of failure of this realignment. The other states that bulboventricular and interventricular septa are different structures, and that the univentricular heart results from failure of formation of the posterior interventricular septum. Four hearts are described in which both the posterior septum and an anterior bulboventricular septum are present. In each heart, therefore, the right ventricular sinus is separated both from the left ventricular sinus and from a discrete outlet chamber which supports the pulmonary artery. It is argued that these findings militate strongly against theories proposing reorientation of the bulboventricular septum to form the definitive interventricular septum. They support strongly the concept that the definitive right ventricle is formed in part from the bulbus and in part from the primitive ventricle. On the basis of these findings, it is suggested that the distinctive feature of the univentricular heart is absence of the posterior septum. Such hearts can properly be termed 'primitive ventricle'. It is also suggested that hearts with atretic or straddling valves should be included within this category. Images PMID:1275986
Designers workbench: toward real-time immersive modeling

NASA Astrophysics Data System (ADS)

Kuester, Falko; Duchaineau, Mark A.; Hamann, Bernd; Joy, Kenneth I.; Ma, Kwan-Liu

2000-05-01

This paper introduces the Designers Workbench, a semi- immersive virtual environment for two-handed modeling, sculpting and analysis tasks. The paper outlines the fundamental tools, design metaphors and hardware components required for an intuitive real-time modeling system. As companies focus on streamlining productivity to cope with global competition, the migration to computer-aided design (CAD), computer-aided manufacturing, and computer-aided engineering systems has established a new backbone of modern industrial product development. However, traditionally a product design frequently originates form a clay model that, after digitization, forms the basis for the numerical description of CAD primitives. The Designers Workbench aims at closing this technology or 'digital gap' experienced by design and CAD engineers by transforming the classical design paradigm into its fully integrate digital and virtual analog allowing collaborative development in a semi- immersive virtual environment. This project emphasizes two key components form the classical product design cycle: freeform modeling and analysis. In the freedom modeling stage, content creation in the form of two-handed sculpting of arbitrary objects using polygonal, volumetric or mathematically defined primitives is emphasized, whereas the analysis component provides the tools required for pre- and post-processing steps for finite element analysis tasks applied to the created models.

A key heterogeneous structure of fractal networks based on inverse renormalization scheme

NASA Astrophysics Data System (ADS)

Bai, Yanan; Huang, Ning; Sun, Lina

2018-06-01

Self-similarity property of complex networks was found by the application of renormalization group theory. Based on this theory, network topologies can be classified into universality classes in the space of configurations. In return, through inverse renormalization scheme, a given primitive structure can grow into a pure fractal network, then adding different types of shortcuts, it exhibits different characteristics of complex networks. However, the effect of primitive structure on networks structural property has received less attention. In this paper, we introduce a degree variance index to measure the dispersion of nodes degree in the primitive structure, and investigate the effect of the primitive structure on network structural property quantified by network efficiency. Numerical simulations and theoretical analysis show a primitive structure is a key heterogeneous structure of generated networks based on inverse renormalization scheme, whether or not adding shortcuts, and the network efficiency is positively correlated with degree variance of the primitive structure.
Discovery of survival factor for primitive chronic myeloid leukemia cells using induced pluripotent stem cells

PubMed Central

Suknuntha, Kran; Ishii, Yuki; Tao, Lihong; Hu, Kejin; McIntosh, Brian E.; Yang, David; Swanson, Scott; Stewart, Ron; Wang, Jean Y.J.; Thomson, James; Slukvin, Igor

2016-01-01

A definitive cure for chronic myeloid leukemia (CML) requires identifying novel therapeutic targets to eradicate leukemia stem cells (LSCs). However, the rarity of LSCs within the primitive hematopoietic cell compartment remains a major limiting factor for their study in humans. Here we show that primitive hematopoietic cells with typical LSC features, including adhesion defect, increased long-term survival and proliferation, and innate resistance to tyrosine kinase inhibitor (TKI) imatinib, can be generated de novo from reprogrammed primary CML cells. Using CML iPSC-derived primitive leukemia cells, we discovered olfactomedin 4 (OLFM4) as a novel factor that contributes to survival and growth of somatic lin−CD34+ cells from bone marrow of patients with CML in chronic phase, but not primitive hematopoietic cells from normal bone marrow. Overall, this study shows the feasibility and advantages of using reprogramming technology to develop strategies for targeting primitive leukemia cells. PMID:26561938
DOE Office of Scientific and Technical Information (OSTI.GOV)

Papajak, Ewa; Truhlar, Donald G.

We present sets of convergent, partially augmented basis set levels corresponding to subsets of the augmented “aug-cc-pV(n+d)Z” basis sets of Dunning and co-workers. We show that for many molecular properties a basis set fully augmented with diffuse functions is computationally expensive and almost always unnecessary. On the other hand, unaugmented cc-pV(n+d)Z basis sets are insufficient for many properties that require diffuse functions. Therefore, we propose using intermediate basis sets. We developed an efficient strategy for partial augmentation, and in this article, we test it and validate it. Sequentially deleting diffuse basis functions from the “aug” basis sets yields the “jul”,more » “jun”, “may”, “apr”, etc. basis sets. Tests of these basis sets for Møller-Plesset second-order perturbation theory (MP2) show the advantages of using these partially augmented basis sets and allow us to recommend which basis sets offer the best accuracy for a given number of basis functions for calculations on large systems. Similar truncations in the diffuse space can be performed for the aug-cc-pVxZ, aug-cc-pCVxZ, etc. basis sets.« less
The evolutionary origin and diversification of feathers.

PubMed

Prum, Richard O; Brush, Alan H

2002-09-01

Progress on the evolutionary origin and diversification of feathers has been hampered by conceptual problems and by the lack of plesiomorphic feather fossils. Recently, both of these limitations have been overcome by the proposal of the developmental theory of the origin of feathers, and the discovery of primitive feather fossils on nonavian theropod dinosaurs. The conceptual problems of previous theories of the origin of feathers are reviewed, and the alternative developmental theory is presented and discussed. The developmental theory proposes that feathers evolved through a series of evolutionary novelties in developmental mechanisms of the follicle and feather germ. The discovery of primitive and derived fossil feathers on a diversity of coelurosaurian theropod dinosaurs documents that feathers evolved and diversified in nonavian theropods before the origin of birds and before the origin of flight. The morphologies of these primitive feathers are congruent with the predictions of the developmental theory. Alternatives to the theropod origin of feathers are critique and rejected. Hypotheses for the initial function of feathers are reviewed. The aerodynamic theory of feather origins is falsified, but many other functions remain developmentally and phylogenetically plausible. Whatever their function, feathers evolved by selection for a follicle that would grow an emergent tubular appendage. Feathers are inherently tubular structures. The homology of feathers and scales is weakly supported. Feathers are composed of a suite of evolutionary novelties that evolved by the duplication, hierarchical organization, interaction, dissociation, and differentiation of morphological modules. The unique capacity for modular subdivision of the tubular feather follicle and germ has fostered the evolution of numerous innovations that characterize feathers. The evolution of feather keratin and the molecular basis of feather development are also discussed.
Genome, transcriptome and methylome sequencing of a primitively eusocial wasp reveal a greatly reduced DNA methylation system in a social insect.

PubMed

Standage, Daniel S; Berens, Ali J; Glastad, Karl M; Severin, Andrew J; Brendel, Volker P; Toth, Amy L

2016-04-01

Comparative genomics of social insects has been intensely pursued in recent years with the goal of providing insights into the evolution of social behaviour and its underlying genomic and epigenomic basis. However, the comparative approach has been hampered by a paucity of data on some of the most informative social forms (e.g. incipiently and primitively social) and taxa (especially members of the wasp family Vespidae) for studying social evolution. Here, we provide a draft genome of the primitively eusocial model insect Polistes dominula, accompanied by analysis of caste-related transcriptome and methylome sequence data for adult queens and workers. Polistes dominula possesses a fairly typical hymenopteran genome, but shows very low genomewide GC content and some evidence of reduced genome size. We found numerous caste-related differences in gene expression, with evidence that both conserved and novel genes are related to caste differences. Most strikingly, these -omics data reveal a major reduction in one of the major epigenetic mechanisms that has been previously suggested to be important for caste differences in social insects: DNA methylation. Along with a conspicuous loss of a key gene associated with environmentally responsive DNA methylation (the de novo DNA methyltransferase Dnmt3), these wasps have greatly reduced genomewide methylation to almost zero. In addition to providing a valuable resource for comparative analysis of social insect evolution, our integrative -omics data for this important behavioural and evolutionary model system call into question the general importance of DNA methylation in caste differences and evolution in social insects. © 2016 The Authors. Molecular Ecology Published by John Wiley & Sons Ltd.
The role of immunohistochemistry in medullomyoblastoma--a case series highlighting divergent differentiation.

PubMed

Sachdeva, Man Updesh S; Vankalakunti, Mahesha; Rangan, Aruna; Radotra, Bishan D; Chhabra, Rajesh; Vasishta, Rakesh K

2008-04-25

To analyse the histo-morphology of cases of medullomyoblastoma and identifying its divergent differentiation. A retrospective review of all cases reported as medulloblastoma between the period of Jan 2000 to Dec 2006 was carried out on Hematoxylin and eosin (H & E) stained slides. The cases were screened on light microscopy for primitive neuroectodermal component of a medulloblastoma accompanied by areas of "myoid" differentiation, identified on the basis of presence of strap cells (indicating a clear skeletal muscle differentiation) and/or large anaplastic cells with vescicular nuclei and moderate to abundant amount of eosinophilic cytoplasm. All these cases were subjected to a panel of immunohistochemical stains, including Desmin, GFAP, NFP, HMB45, SMA, S100, CK and EMA. Ultrastructural analysis was done on tissue obtained from paraffin blocks in 2 cases. Male predominance (M:F = 5:1) was noted with an incidence of five percent of all cases of medulloblastoma (6 out of 120 cases) over a period of 6 years. Primitive neuroectodermal areas were accompanied with areas of "myoid" differentiation, 5 cases showing strap cells. Two cases with epithelial and cartilaginous differentiation were seen. Three cases showed focal melanocytic differentiation, identified only on HMB45 immunostaining. Four cases showed glial differentiation. Neuronal differentiation again was very focally seen in two cases, of which one was identified only by NFP immunostain. Seventh case is included in the study, however it is not considered to calculate incidence as it occurred beyond the period of 6 years of records search. Medullomyoblastoma is a rare childhood tumor of cerebellum. Majority of cases reveal divergent differentiation, which are identified with the help of panel of immunostains indicating multi-potential nature of primitive neuroectodermal cells.
A mutli-technique search for the most primitive CO chondrites

NASA Astrophysics Data System (ADS)

Alexander, C. M. O'D.; Greenwood, R. C.; Bowden, R.; Gibson, J. M.; Howard, K. T.; Franchi, I. A.

2018-01-01

As part of a study to identify the most primitive COs and to look for weakly altered CMs amongst the COs, we have conducted a multi-technique study of 16 Antarctic meteorites that had been classified as primitive COs. For this study, we have determined: (1) the bulk H, C and N abundances and isotopes, (2) bulk O isotopic compositions, (3) bulk modal mineralogies, and (4) for some selected samples the abundances and compositions of their insoluble organic matter (IOM). Two of the 16 meteorites do appear to be CMs - BUC 10943 seems to be a fairly typical CM, while MIL 090073 has probably been heated. Of the COs, DOM 08006 appears to be the most primitive CO identified to date and is quite distinct from the other members of its pairing group. The other COs fall into two groups that are less primitive than DOM 08006 and ALH 77307, the previously most primitive CO. The first group is composed of members of the DOM 08004 pairing group, except DOM 08006. The second group is composed of meteorites belonging to the MIL 03377 and MIL 07099 pairing groups. These two pairing groups should probably be combined. There is a dichotomy in the bulk O isotopes between the primitive (all Antarctic finds) and the more metamorphosed COs (mostly falls). This dichotomy can only partly be explained by the terrestrial weathering experienced by the primitive Antarctic samples. It seems that the more equilibrated samples interacted to a greater extent with 16O-poor material, probably water, than the more primitive meteorites.
Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Spackman, Peter R.; Karton, Amir, E-mail: amir.karton@uwa.edu.au

Coupled cluster calculations with all single and double excitations (CCSD) converge exceedingly slowly with the size of the one-particle basis set. We assess the performance of a number of approaches for obtaining CCSD correlation energies close to the complete basis-set limit in conjunction with relatively small DZ and TZ basis sets. These include global and system-dependent extrapolations based on the A + B/L{sup α} two-point extrapolation formula, and the well-known additivity approach that uses an MP2-based basis-set-correction term. We show that the basis set convergence rate can change dramatically between different systems(e.g.it is slower for molecules with polar bonds and/ormore » second-row elements). The system-dependent basis-set extrapolation scheme, in which unique basis-set extrapolation exponents for each system are obtained from lower-cost MP2 calculations, significantly accelerates the basis-set convergence relative to the global extrapolations. Nevertheless, we find that the simple MP2-based basis-set additivity scheme outperforms the extrapolation approaches. For example, the following root-mean-squared deviations are obtained for the 140 basis-set limit CCSD atomization energies in the W4-11 database: 9.1 (global extrapolation), 3.7 (system-dependent extrapolation), and 2.4 (additivity scheme) kJ mol{sup –1}. The CCSD energy in these approximations is obtained from basis sets of up to TZ quality and the latter two approaches require additional MP2 calculations with basis sets of up to QZ quality. We also assess the performance of the basis-set extrapolations and additivity schemes for a set of 20 basis-set limit CCSD atomization energies of larger molecules including amino acids, DNA/RNA bases, aromatic compounds, and platonic hydrocarbon cages. We obtain the following RMSDs for the above methods: 10.2 (global extrapolation), 5.7 (system-dependent extrapolation), and 2.9 (additivity scheme) kJ mol{sup –1}.« less
Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes

NASA Astrophysics Data System (ADS)

Spackman, Peter R.; Karton, Amir

2015-05-01

Coupled cluster calculations with all single and double excitations (CCSD) converge exceedingly slowly with the size of the one-particle basis set. We assess the performance of a number of approaches for obtaining CCSD correlation energies close to the complete basis-set limit in conjunction with relatively small DZ and TZ basis sets. These include global and system-dependent extrapolations based on the A + B/Lα two-point extrapolation formula, and the well-known additivity approach that uses an MP2-based basis-set-correction term. We show that the basis set convergence rate can change dramatically between different systems(e.g.it is slower for molecules with polar bonds and/or second-row elements). The system-dependent basis-set extrapolation scheme, in which unique basis-set extrapolation exponents for each system are obtained from lower-cost MP2 calculations, significantly accelerates the basis-set convergence relative to the global extrapolations. Nevertheless, we find that the simple MP2-based basis-set additivity scheme outperforms the extrapolation approaches. For example, the following root-mean-squared deviations are obtained for the 140 basis-set limit CCSD atomization energies in the W4-11 database: 9.1 (global extrapolation), 3.7 (system-dependent extrapolation), and 2.4 (additivity scheme) kJ mol-1. The CCSD energy in these approximations is obtained from basis sets of up to TZ quality and the latter two approaches require additional MP2 calculations with basis sets of up to QZ quality. We also assess the performance of the basis-set extrapolations and additivity schemes for a set of 20 basis-set limit CCSD atomization energies of larger molecules including amino acids, DNA/RNA bases, aromatic compounds, and platonic hydrocarbon cages. We obtain the following RMSDs for the above methods: 10.2 (global extrapolation), 5.7 (system-dependent extrapolation), and 2.9 (additivity scheme) kJ mol-1.
Dynamic primitives in the control of locomotion.

PubMed

Hogan, Neville; Sternad, Dagmar

2013-01-01

Humans achieve locomotor dexterity that far exceeds the capability of modern robots, yet this is achieved despite slower actuators, imprecise sensors, and vastly slower communication. We propose that this spectacular performance arises from encoding motor commands in terms of dynamic primitives. We propose three primitives as a foundation for a comprehensive theoretical framework that can embrace a wide range of upper- and lower-limb behaviors. Building on previous work that suggested discrete and rhythmic movements as elementary dynamic behaviors, we define submovements and oscillations: as discrete movements cannot be combined with sufficient flexibility, we argue that suitably-defined submovements are primitives. As the term "rhythmic" may be ambiguous, we define oscillations as the corresponding class of primitives. We further propose mechanical impedances as a third class of dynamic primitives, necessary for interaction with the physical environment. Combination of these three classes of primitive requires care. One approach is through a generalized equivalent network: a virtual trajectory composed of simultaneous and/or sequential submovements and/or oscillations that interacts with mechanical impedances to produce observable forces and motions. Reliable experimental identification of these dynamic primitives presents challenges: identification of mechanical impedances is exquisitely sensitive to assumptions about their dynamic structure; identification of submovements and oscillations is sensitive to their assumed form and to details of the algorithm used to extract them. Some methods to address these challenges are presented. Some implications of this theoretical framework for locomotor rehabilitation are considered.
Symmetry of semi-reduced lattices.

PubMed

Stróż, Kazimierz

2015-05-01

The main result of this work is extension of the famous characterization of Bravais lattices according to their metrical, algebraic and geometric properties onto a wide class of primitive lattices (including Buerger-reduced, nearly Buerger-reduced and a substantial part of Delaunay-reduced) related to low-restricted semi-reduced descriptions (s.r.d.'s). While the `geometric' operations in Bravais lattices map the basis vectors into themselves, the `arithmetic' operators in s.r.d. transform the basis vectors into cell vectors (basis vectors, face or space diagonals) and are represented by matrices from the set {\\bb V} of all 960 matrices with the determinant ±1 and elements {0, ±1} of the matrix powers. A lattice is in s.r.d. if the moduli of off-diagonal elements in both the metric tensors M and M(-1) are smaller than corresponding diagonal elements sharing the same column or row. Such lattices are split into 379 s.r.d. types relative to the arithmetic holohedries. Metrical criteria for each type do not need to be explicitly given but may be modelled as linear derivatives {\\bb M}(p,q,r), where {\\bb M} denotes the set of 39 highest-symmetry metric tensors, and p,q,r describe changes of appropriate interplanar distances. A sole filtering of {\\bb V} according to an experimental s.r.d. metric and subsequent geometric interpretation of the filtered matrices lead to mathematically stable and rich information on the Bravais-lattice symmetry and deviations from the exact symmetry. The emphasis on the crystallographic features of lattices was obtained by shifting the focus (i) from analysis of a lattice metric to analysis of symmetry matrices [Himes & Mighell (1987). Acta Cryst. A43, 375-384], (ii) from the isometric approach and invariant subspaces to the orthogonality concept {some ideas in Le Page [J. Appl. Cryst. (1982), 15, 255-259]} and splitting indices [Stróż (2011). Acta Cryst. A67, 421-429] and (iii) from fixed cell transformations to transformations derivable via geometric information (Himes & Mighell, 1987; Le Page, 1982). It is illustrated that corresponding arithmetic and geometric holohedries share space distribution of symmetry elements. Moreover, completeness of the s.r.d. types reveals their combinatorial structure and simplifies the crystallographic description of structural phase transitions, especially those observed with the use of powder diffraction. The research proves that there are excellent theoretical and practical reasons for looking at crystal lattice symmetry from an entirely new and surprising point of view - the combinatorial set {\\bb V} of matrices, their semi-reduced lattice context and their geometric properties.
Fundamental physical theories: Mathematical structures grounded on a primitive ontology

NASA Astrophysics Data System (ADS)

Allori, Valia

In my dissertation I analyze the structure of fundamental physical theories. I start with an analysis of what an adequate primitive ontology is, discussing the measurement problem in quantum mechanics and theirs solutions. It is commonly said that these theories have little in common. I argue instead that the moral of the measurement problem is that the wave function cannot represent physical objects and a common structure between these solutions can be recognized: each of them is about a clear three-dimensional primitive ontology that evolves according to a law determined by the wave function. The primitive ontology is what matter is made of while the wave function tells the matter how to move. One might think that what is important in the notion of primitive ontology is their three-dimensionality. If so, in a theory like classical electrodynamics electromagnetic fields would be part of the primitive ontology. I argue that, reflecting on what the purpose of a fundamental physical theory is, namely to explain the behavior of objects in three-dimensional space, one can recognize that a fundamental physical theory has a particular architecture. If so, electromagnetic fields play a different role in the theory than the particles and therefore should be considered, like the wave function, as part of the law. Therefore, we can characterize the general structure of a fundamental physical theory as a mathematical structure grounded on a primitive ontology. I explore this idea to better understand theories like classical mechanics and relativity, emphasizing that primitive ontology is crucial in the process of building new theories, being fundamental in identifying the symmetries. Finally, I analyze what it means to explain the word around us in terms of the notion of primitive ontology in the case of regularities of statistical character. Here is where the notion of typicality comes into play: we have explained a phenomenon if the typical histories of the primitive ontology give rise to the statistical regularities we observe.
Cometary dust: the diversity of primitive refractory grains

PubMed Central

Ishii, H. A.

2017-01-01

Comet dust is primitive and shows significant diversity. Our knowledge of the properties of primitive cometary particles has expanded significantly through microscale investigations of cosmic dust samples (anhydrous interplanetary dust particles (IDPs), chondritic porous (CP) IDPs and UltraCarbonaceous Antarctic micrometeorites, Stardust and Rosetta), as well as through remote sensing (Spitzer IR spectroscopy). Comet dust are aggregate particles of materials unequilibrated at submicrometre scales. We discuss the properties and processes experienced by primitive matter in comets. Primitive particles exhibit a diverse range of: structure and typology; distribution of constituents; concentration and form of carbonaceous and refractory organic matter; Mg- and Fe-contents of the silicate minerals; sulfides; existence/abundance of type II chondrule fragments; high-temperature calcium–aluminium inclusions and ameboid-olivine aggregates; and rarely occurring Mg-carbonates and magnetite, whose explanation requires aqueous alteration on parent bodies. The properties of refractory materials imply there were disc processes that resulted in different comets having particular selections of primitive materials. The diversity of primitive particles has implications for the diversity of materials in the protoplanetary disc present at the time and in the region where the comets formed. This article is part of the themed issue ‘Cometary science after Rosetta’. PMID:28554979
The Primitive Thylakoid-Less Cyanobacterium Gloeobacter Is a Common Rock-Dwelling Organism.

PubMed

Mareš, Jan; Hrouzek, Pavel; Kaňa, Radek; Ventura, Stefano; Strunecký, Otakar; Komárek, Jiří

2013-01-01

Cyanobacteria are an ancient group of photosynthetic prokaryotes, which are significant in biogeochemical cycles. The most primitive among living cyanobacteria, Gloeobacter violaceus, shows a unique ancestral cell organization with a complete absence of inner membranes (thylakoids) and an uncommon structure of the photosynthetic apparatus. Numerous phylogenetic papers proved its basal position among all of the organisms and organelles capable of plant-like photosynthesis (i.e., cyanobacteria, chloroplasts of algae and plants). Hence, G. violaceus has become one of the key species in evolutionary study of photosynthetic life. It also numbers among the most widely used organisms in experimental photosynthesis research. Except for a few related culture isolates, there has been little data on the actual biology of Gloeobacter, being relegated to an "evolutionary curiosity" with an enigmatic identity. Here we show that members of the genus Gloeobacter probably are common rock-dwelling cyanobacteria. On the basis of morphological, ultrastructural, pigment, and phylogenetic comparisons of available Gloeobacter strains, as well as on the basis of three new independent isolates and historical type specimen, we have produced strong evidence as to the close relationship of Gloeobacter to a long known rock-dwelling cyanobacterial morphospecies Aphanothece caldariorum. Our results bring new clues to solving the 40 year old puzzle of the true biological identity of Gloeobacter violaceus, a model organism with a high value in several biological disciplines. A probable broader distribution of Gloeobacter in common wet-rock habitats worldwide is suggested by our data, and its ecological meaning is discussed taking into consideration the background of cyanobacterial evolution. We provide observations of previously unknown genetic variability and phenotypic plasticity, which we expect to be utilized by experimental and evolutionary researchers worldwide.
Geometric Analysis, Visualization, and Conceptualization of 3D Image Data

Science.gov Websites

collection of geometric primitives (points, lines, polygons, etc.) that accurately represent the shape of the different color. The masks mentioned above are human supplied hints as to where to draw these contour lines ) Acquire information about the inside of an object, and generate a 3D image data set (2) Define the regions
Groupoid Actions on Fractafolds

NASA Astrophysics Data System (ADS)

Ionescu, Marius; Kumjian, Alex

2014-06-01

We define a bundle over a totally disconnected set such that each fiber is homeomorphic to a fractal blowup. We prove that there is a natural action of a Renault-Deaconu groupoid on our fractafold bundle and that the resulting action groupoid is a Renault-Deaconu groupoid itself. We also show that when the bundle is locally compact the associated C^*-algebra is primitive and has a densely defined lower-semicontinuous trace.
Testing a Hypothesis for the Evolution of Sex

NASA Astrophysics Data System (ADS)

Örçal, Bora; Tüzel, Erkan; Sevim, Volkan; Jan, Naeem; Erzan, Ayşe.

An asexual set of primitive bacteria is simulated with a bit-string Penna model with a Fermi function for survival. A recent hypothesis by Jan, Stauffer, and Moseley on the evolution of sex from asexual cells as a strategy for trying to escape the effects of deleterious mutations is checked. This strategy is found to provide a successful scenario for the evolution of a stable macroscopic sexual population.
Multi-processor including data flow accelerator module

DOEpatents

Davidson, George S.; Pierce, Paul E.

1990-01-01

An accelerator module for a data flow computer includes an intelligent memory. The module is added to a multiprocessor arrangement and uses a shared tagged memory architecture in the data flow computer. The intelligent memory module assigns locations for holding data values in correspondence with arcs leading to a node in a data dependency graph. Each primitive computation is associated with a corresponding memory cell, including a number of slots for operands needed to execute a primitive computation, a primitive identifying pointer, and linking slots for distributing the result of the cell computation to other cells requiring that result as an operand. Circuitry is provided for utilizing tag bits to determine automatically when all operands required by a processor are available and for scheduling the primitive for execution in a queue. Each memory cell of the module may be associated with any of the primitives, and the particular primitive to be executed by the processor associated with the cell is identified by providing an index, such as the cell number for the primitive, to the primitive lookup table of starting addresses. The module thus serves to perform functions previously performed by a number of sections of data flow architectures and coexists with conventional shared memory therein. A multiprocessing system including the module operates in a hybrid mode, wherein the same processing modules are used to perform some processing in a sequential mode, under immediate control of an operating system, while performing other processing in a data flow mode.
Dynamic primitives in the control of locomotion

PubMed Central

Hogan, Neville; Sternad, Dagmar

2013-01-01

Humans achieve locomotor dexterity that far exceeds the capability of modern robots, yet this is achieved despite slower actuators, imprecise sensors, and vastly slower communication. We propose that this spectacular performance arises from encoding motor commands in terms of dynamic primitives. We propose three primitives as a foundation for a comprehensive theoretical framework that can embrace a wide range of upper- and lower-limb behaviors. Building on previous work that suggested discrete and rhythmic movements as elementary dynamic behaviors, we define submovements and oscillations: as discrete movements cannot be combined with sufficient flexibility, we argue that suitably-defined submovements are primitives. As the term “rhythmic” may be ambiguous, we define oscillations as the corresponding class of primitives. We further propose mechanical impedances as a third class of dynamic primitives, necessary for interaction with the physical environment. Combination of these three classes of primitive requires care. One approach is through a generalized equivalent network: a virtual trajectory composed of simultaneous and/or sequential submovements and/or oscillations that interacts with mechanical impedances to produce observable forces and motions. Reliable experimental identification of these dynamic primitives presents challenges: identification of mechanical impedances is exquisitely sensitive to assumptions about their dynamic structure; identification of submovements and oscillations is sensitive to their assumed form and to details of the algorithm used to extract them. Some methods to address these challenges are presented. Some implications of this theoretical framework for locomotor rehabilitation are considered. PMID:23801959
Vibrational Properties of Hydrogen-Bonded Systems Using the Multireference Generalization to the "On-the-Fly" Electronic Structure within Quantum Wavepacket ab Initio Molecular Dynamics (QWAIMD).

PubMed

Li, Junjie; Li, Xiaohu; Iyengar, Srinivasan S

2014-06-10

We discuss a multiconfigurational treatment of the "on-the-fly" electronic structure within the quantum wavepacket ab initio molecular dynamics (QWAIMD) method for coupled treatment of quantum nuclear effects with electronic structural effects. Here, multiple single-particle electronic density matrices are simultaneously propagated with a quantum nuclear wavepacket and other classical nuclear degrees of freedom. The multiple density matrices are coupled through a nonorthogonal configuration interaction (NOCI) procedure to construct the instantaneous potential surface. An adaptive-mesh-guided set of basis functions composed of Gaussian primitives are used to simplify the electronic structure calculations. Specifically, with the replacement of the atom-centered basis functions positioned on the centers of the quantum-mechanically treated nuclei by a mesh-guided band of basis functions, the two-electron integrals used to compute the electronic structure potential surface become independent of the quantum nuclear variable and hence reusable along the entire Cartesian grid representing the quantum nuclear coordinates. This reduces the computational complexity involved in obtaining a potential surface and facilitates the interpretation of the individual density matrices as representative diabatic states. The parametric nuclear position dependence of the diabatic states is evaluated at the initial time-step using a Shannon-entropy-based sampling function that depends on an approximation to the quantum nuclear wavepacket and the potential surface. This development is meant as a precursor to an on-the-fly fully multireference electronic structure procedure embedded, on-the-fly, within a quantum nuclear dynamics formalism. We benchmark the current development by computing structural, dynamic, and spectroscopic features for a series of bihalide hydrogen-bonded systems: FHF(-), ClHCl(-), BrHBr(-), and BrHCl(-). We find that the donor-acceptor structural features are in good agreement with experiments. Spectroscopic features are computed using a unified velocity/flux autocorrelation function and include vibrational fundamentals and combination bands. These agree well with experiments and other theories.

36 CFR 261.21 - National Forest primitive areas.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 36 Parks, Forests, and Public Property 2 2010-07-01 2010-07-01 false National Forest primitive areas. 261.21 Section 261.21 Parks, Forests, and Public Property FOREST SERVICE, DEPARTMENT OF AGRICULTURE PROHIBITIONS General Prohibitions § 261.21 National Forest primitive areas. The following are...
The Distributed Memory Computing Conference (5th) Held in Charleston, South Carolina on April 8-12, 1990. Volume 1. Applications

DTIC Science & Technology

1991-03-31

nodes, directional arrows show the parent and child rela- and the graphics driver runs on the CP, i.e., the tionship of processes. Although there is a...about ODB plus some number of transitory primitives, whether or not its child primitives are resident. Transitory primitives are discarded as needed...true if this Hnode’s child primitives approached. are not resident. This method of ODB decomposition has the ability to distribute a very large number of
Efficient design of CMOS TSC checkers

NASA Technical Reports Server (NTRS)

Biddappa, Anita; Shamanna, Manjunath K.; Maki, Gary; Whitaker, Sterling

1990-01-01

This paper considers the design of an efficient, robustly testable, CMOS Totally Self-Checking (TSC) Checker for k-out-of-2k codes. Most existing implementations use primitive gates and assume the single stuck-at fault model. The self-testing property has been found to fail for CMOS TSC checkers under the stuck-open fault model due to timing skews and arbitrary delays in the circuit. A new four level design using CMOS primitive gates (NAND, NOR, INVERTERS) is presented. This design retains its properties under the stuck-open fault model. Additionally, this method offers an impressive reduction (greater than 70 percent) in gate count, gate inputs, and test set size when compared to the existing method. This implementation is easily realizable and is based on Anderson's technique. A thorough comparative study has been made on the proposed implementation and Kundu's implementation and the results indicate that the proposed one is better than Kundu's in all respects for k-out-of-2k codes.
Efficient Agent-Based Models for Non-Genomic Evolution

NASA Technical Reports Server (NTRS)

Gupta, Nachi; Agogino, Adrian; Tumer, Kagan

2006-01-01

Modeling dynamical systems composed of aggregations of primitive proteins is critical to the field of astrobiological science involving early evolutionary structures and the origins of life. Unfortunately traditional non-multi-agent methods either require oversimplified models or are slow to converge to adequate solutions. This paper shows how to address these deficiencies by modeling the protein aggregations through a utility based multi-agent system. In this method each agent controls the properties of a set of proteins assigned to that agent. Some of these properties determine the dynamics of the system, such as the ability for some proteins to join or split other proteins, while additional properties determine the aggregation s fitness as a viable primitive cell. We show that over a wide range of starting conditions, there are mechanisins that allow protein aggregations to achieve high values of overall fitness. In addition through the use of agent-specific utilities that remain aligned with the overall global utility, we are able to reach these conclusions with 50 times fewer learning steps.
Enhanced flyby science with onboard computer vision: Tracking and surface feature detection at small bodies

NASA Astrophysics Data System (ADS)

Fuchs, Thomas J.; Thompson, David R.; Bue, Brian D.; Castillo-Rogez, Julie; Chien, Steve A.; Gharibian, Dero; Wagstaff, Kiri L.

2015-10-01

Spacecraft autonomy is crucial to increase the science return of optical remote sensing observations at distant primitive bodies. To date, most small bodies exploration has involved short timescale flybys that execute prescripted data collection sequences. Light time delay means that the spacecraft must operate completely autonomously without direct control from the ground, but in most cases the physical properties and morphologies of prospective targets are unknown before the flyby. Surface features of interest are highly localized, and successful observations must account for geometry and illumination constraints. Under these circumstances onboard computer vision can improve science yield by responding immediately to collected imagery. It can reacquire bad data or identify features of opportunity for additional targeted measurements. We present a comprehensive framework for onboard computer vision for flyby missions at small bodies. We introduce novel algorithms for target tracking, target segmentation, surface feature detection, and anomaly detection. The performance and generalization power are evaluated in detail using expert annotations on data sets from previous encounters with primitive bodies.
Fitting primitive shapes in point clouds: a practical approach to improve autonomous underwater grasp specification of unknown objects

NASA Astrophysics Data System (ADS)

Fornas, D.; Sales, J.; Peñalver, A.; Pérez, J.; Fernández, J. J.; Marín, R.; Sanz, P. J.

2016-03-01

This article presents research on the subject of autonomous underwater robot manipulation. Ongoing research in underwater robotics intends to increase the autonomy of intervention operations that require physical interaction in order to achieve social benefits in fields such as archaeology or biology that cannot afford the expenses of costly underwater operations using remote operated vehicles. Autonomous grasping is still a very challenging skill, especially in underwater environments, with highly unstructured scenarios, limited availability of sensors and adverse conditions that affect the robot perception and control systems. To tackle these issues, we propose the use of vision and segmentation techniques that aim to improve the specification of grasping operations on underwater primitive shaped objects. Several sources of stereo information are used to gather 3D information in order to obtain a model of the object. Using a RANSAC segmentation algorithm, the model parameters are estimated and a set of feasible grasps are computed. This approach is validated in both simulated and real underwater scenarios.
Ontology-Based High-Level Context Inference for Human Behavior Identification

PubMed Central

Villalonga, Claudia; Razzaq, Muhammad Asif; Khan, Wajahat Ali; Pomares, Hector; Rojas, Ignacio; Lee, Sungyoung; Banos, Oresti

2016-01-01

Recent years have witnessed a huge progress in the automatic identification of individual primitives of human behavior, such as activities or locations. However, the complex nature of human behavior demands more abstract contextual information for its analysis. This work presents an ontology-based method that combines low-level primitives of behavior, namely activity, locations and emotions, unprecedented to date, to intelligently derive more meaningful high-level context information. The paper contributes with a new open ontology describing both low-level and high-level context information, as well as their relationships. Furthermore, a framework building on the developed ontology and reasoning models is presented and evaluated. The proposed method proves to be robust while identifying high-level contexts even in the event of erroneously-detected low-level contexts. Despite reasonable inference times being obtained for a relevant set of users and instances, additional work is required to scale to long-term scenarios with a large number of users. PMID:27690050
A Quantitative Proteomic Analysis of Hemogenic Endothelium Reveals Differential Regulation of Hematopoiesis by SOX17

PubMed Central

Clarke, Raedun L.; Robitaille, Aaron M.; Moon, Randall T.; Keller, Gordon

2015-01-01

Summary The in vitro derivation of hematopoietic stem cells (HSCs) from pluripotent stem cells (PSCs) is complicated by the existence of multiple overlapping embryonic blood cell programs called primitive, erythromyeloid progenitor (EMP), and definitive. As HSCs are only generated during the definitive stage of hematopoiesis, deciphering the regulatory pathways that control the emergence of this program and identifying markers that distinguish it from the other programs are essential. To identify definitive specific pathways and marker sets, we used label-free proteomics to determine the proteome of embryo-derived and mouse embryonic stem cell-derived VE-CADHERIN+CD45− definitive hematopoietic progenitors. With this approach, we identified Stat1 as a marker that distinguishes the definitive erythroid lineage from the primitive- and EMP-derived lineages. Additionally, we provide evidence that the generation of the Stat1+ definitive lineage is dependent on Sox17. These findings establish an approach for monitoring the emergence of definitive hematopoiesis in the PSC differentiation cultures. PMID:26267830
Horse-like walking, trotting, and galloping derived from kinematic Motion Primitives (kMPs) and their application to walk/trot transitions in a compliant quadruped robot.

PubMed

Moro, Federico L; Spröwitz, Alexander; Tuleu, Alexandre; Vespignani, Massimo; Tsagarakis, Nikos G; Ijspeert, Auke J; Caldwell, Darwin G

2013-06-01

This manuscript proposes a method to directly transfer the features of horse walking, trotting, and galloping to a quadruped robot, with the aim of creating a much more natural (horse-like) locomotion profile. A principal component analysis on horse joint trajectories shows that walk, trot, and gallop can be described by a set of four kinematic Motion Primitives (kMPs). These kMPs are used to generate valid, stable gaits that are tested on a compliant quadruped robot. Tests on the effects of gait frequency scaling as follows: results indicate a speed optimal walking frequency around 3.4 Hz, and an optimal trotting frequency around 4 Hz. Following, a criterion to synthesize gait transitions is proposed, and the walk/trot transitions are successfully tested on the robot. The performance of the robot when the transitions are scaled in frequency is evaluated by means of roll and pitch angle phase plots.
Correlation consistent basis sets for the atoms In–Xe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mahler, Andrew; Wilson, Angela K., E-mail: akwilson@unt.edu

In this work, the correlation consistent family of Gaussian basis sets has been expanded to include all-electron basis sets for In–Xe. The methodology for developing these basis sets is described, and several examples of the performance and utility of the new sets have been provided. Dissociation energies and bond lengths for both homonuclear and heteronuclear diatomics demonstrate the systematic convergence behavior with respect to increasing basis set quality expected by the family of correlation consistent basis sets in describing molecular properties. Comparison with recently developed correlation consistent sets designed for use with the Douglas-Kroll Hamiltonian is provided.
Primitive Magnesian Andesites at Mt. Shasta, California: A Real Mix-up

NASA Astrophysics Data System (ADS)

Barr, J. A.; Grove, T. L.; Carlson, R. W.; Krawczynski, M. J.

2009-12-01

Until recently, the only described occurrence of primitive magnesian andesite (PMA) at Mt. Shasta was a cinder-pit in the saddle between Whaleback and Deer Mtns. (Location S-17 of Anderson, 1974), north of the main edifice of the volcano. We have reinvestigated PMA occurrence and collected samples from other nearby vents and associated lava flows to provide better constraints on the magmatic processes that led to the formation of this important magma type. The petrology of the PMA samples from S-17 and the newly recognized PMA occurrences nearby, point to a mixing scenario, in which a PMA is the dominant component in the mixed magma. This stands in contrast to other suggestions in which the PMA is created by mixing melts that differ strongly in composition from the PMA. This idea is not new, and previous researchers (e.g. Grove et al., 2005) have shown that crustal-level fractionation products of PMA lavas are one of the major mixing components in the Mt. Shasta plumbing system. The addition of new samples of PMA indicate that the erupted magma was a multi-component mix of two primitive magmas, the PMA and a primitive basaltic andesite (BA) as well as a minor component of evolved andesite or dacite lava. Mineral compositional data, major and trace element systematics, and Sr, Nd and Re/Os isotopic data on the expanded PMA data set provides additional constraints on the mantle melting, crustal level fractional crystallization and magma mixing processing at work underneath Mt. Shasta. The compositional evidence from surrounding lava flows better constrains the composition of the PMA end member involved in the magma mixing at ~ 57.5 wt. % SiO2 at 10.5 wt. % MgO. Petrologic and isotopic data also firmly rule out the possibility suggested by Streck et al. (2007) that the Shasta PMA was formed by mixing an evolved Shasta dacite and Trinity peridotite.
An eye on the head: the development and evolution of craniofacial muscles.

PubMed

Sambasivan, Ramkumar; Kuratani, Shigeru; Tajbakhsh, Shahragim

2011-06-01

Skeletal muscles exert diverse functions, enabling both crushing with great force and movement with exquisite precision. A remarkably distinct repertoire of genes and ontological features characterise this tissue, and recent evidence has shown that skeletal muscles of the head, the craniofacial muscles, are evolutionarily, morphologically and molecularly distinct from those of the trunk. Here, we review the molecular basis of craniofacial muscle development and discuss how this process is different to trunk and limb muscle development. Through evolutionary comparisons of primitive chordates (such as amphioxus) and jawless vertebrates (such as lampreys) with jawed vertebrates, we also provide some clues as to how this dichotomy arose.
An Extended Kalman Filter to Assimilate Altimetric Data into a Non-Linear Model of the Tropical Pacific

NASA Technical Reports Server (NTRS)

Gourdeau, L.; Verron, J.; Murtugudde, R.; Busalacchi, A. J.

1997-01-01

A new implementation of the extended Kaman filter is developed for the purpose of assimilating altimetric observations into a primitive equation model of the tropical Pacific. Its specificity consists in defining the errors into a reduced basis that evolves in time with the model dynamic. Validation by twin experiments is conducted and the method is shown to be efficient in quasi real conditions. Data from the first 2 years of the Topex/Poseidon mission are assimilated into the Gent & Cane [1989] model. Assimilation results are evaluated against independent in situ data, namely TAO mooring observations.
Quadratic Forms and Semiclassical Eigenfunction Hypothesis for Flat Tori

NASA Astrophysics Data System (ADS)

T. Sardari, Naser

2018-03-01

Let Q( X) be any integral primitive positive definite quadratic form in k variables, where {k≥4}, and discriminant D. For any integer n, we give an upper bound on the number of integral solutions of Q( X) = n in terms of n, k, and D. As a corollary, we prove a conjecture of Lester and Rudnick on the small scale equidistribution of almost all functions belonging to any orthonormal basis of a given eigenspace of the Laplacian on the flat torus {T^d} for {d≥ 5}. This conjecture is motivated by the work of Berry [2,3] on the semiclassical eigenfunction hypothesis.
Designed to Win: An Agile Approach to Air Force Command and Control of Cyberspace

DTIC Science & Technology

2010-06-01

capabilities and limitations of technology with a level of control that synchronizes operations, yet allows independent action to take advantage of...was during the Roman Empire. With the exception of the semaphore telegraph and an improved road network, the same methods of communication used by...48 To provide information quickly to the ground commanders, the Aviation Section of the US Signal Corps installed primitive wireless radio sets in
Parallel language constructs for tensor product computations on loosely coupled architectures

NASA Technical Reports Server (NTRS)

Mehrotra, Piyush; Van Rosendale, John

1989-01-01

A set of language primitives designed to allow the specification of parallel numerical algorithms at a higher level is described. The authors focus on tensor product array computations, a simple but important class of numerical algorithms. They consider first the problem of programming one-dimensional kernel routines, such as parallel tridiagonal solvers, and then look at how such parallel kernels can be combined to form parallel tensor product algorithms.
Modelling the development and arrangement of the primary vascular structure in plants.

PubMed

Cartenì, Fabrizio; Giannino, Francesco; Schweingruber, Fritz Hans; Mazzoleni, Stefano

2014-09-01

The process of vascular development in plants results in the formation of a specific array of bundles that run throughout the plant in a characteristic spatial arrangement. Although much is known about the genes involved in the specification of procambium, phloem and xylem, the dynamic processes and interactions that define the development of the radial arrangement of such tissues remain elusive. This study presents a spatially explicit reaction-diffusion model defining a set of logical and functional rules to simulate the differentiation of procambium, phloem and xylem and their spatial patterns, starting from a homogeneous group of undifferentiated cells. Simulation results showed that the model is capable of reproducing most vascular patterns observed in plants, from primitive and simple structures made up of a single strand of vascular bundles (protostele), to more complex and evolved structures, with separated vascular bundles arranged in an ordered pattern within the plant section (e.g. eustele). The results presented demonstrate, as a proof of concept, that a common genetic-molecular machinery can be the basis of different spatial patterns of plant vascular development. Moreover, the model has the potential to become a useful tool to test different hypotheses of genetic and molecular interactions involved in the specification of vascular tissues.
Probabilistic Feasibility of the Reconstruction Process of Russian-Orthodox Churches

NASA Astrophysics Data System (ADS)

Chizhova, M.; Brunn, A.; Stilla, U.

2016-06-01

The cultural human heritage is important for the identity of following generations and has to be preserved in a suitable manner. In the course of time a lot of information about former cultural constructions has been lost because some objects were strongly damaged by natural erosion or on account of human work or were even destroyed. It is important to capture still available building parts of former buildings, mostly ruins. This data could be the basis for a virtual reconstruction. Laserscanning offers in principle the possibility to take up extensively surfaces of buildings in its actual status. In this paper we assume a priori given 3d-laserscanner data, 3d point cloud for the partly destroyed church. There are many well known algorithms, that describe different methods of extraction and detection of geometric primitives, which are recognized separately in 3d points clouds. In our work we put them in a common probabilistic framework, which guides the complete reconstruction process of complex buildings, in our case russian-orthodox churches. Churches are modeled with their functional volumetric components, enriched with a priori known probabilities, which are deduced from a database of russian-orthodox churches. Each set of components represents a complete church. The power of the new method is shown for a simulated dataset of 100 russian-orthodox churches.
Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory

NASA Astrophysics Data System (ADS)

Witte, Jonathon; Neaton, Jeffrey B.; Head-Gordon, Martin

2016-05-01

With the aim of systematically characterizing the convergence of common families of basis sets such that general recommendations for basis sets can be made, we have tested a wide variety of basis sets against complete-basis binding energies across the S22 set of intermolecular interactions—noncovalent interactions of small and medium-sized molecules consisting of first- and second-row atoms—with three distinct density functional approximations: SPW92, a form of local-density approximation; B3LYP, a global hybrid generalized gradient approximation; and B97M-V, a meta-generalized gradient approximation with nonlocal correlation. We have found that it is remarkably difficult to reach the basis set limit; for the methods and systems examined, the most complete basis is Jensen's pc-4. The Dunning correlation-consistent sequence of basis sets converges slowly relative to the Jensen sequence. The Karlsruhe basis sets are quite cost effective, particularly when a correction for basis set superposition error is applied: counterpoise-corrected def2-SVPD binding energies are better than corresponding energies computed in comparably sized Dunning and Jensen bases, and on par with uncorrected results in basis sets 3-4 times larger. These trends are exhibited regardless of the level of density functional approximation employed. A sense of the magnitude of the intrinsic incompleteness error of each basis set not only provides a foundation for guiding basis set choice in future studies but also facilitates quantitative comparison of existing studies on similar types of systems.
The Dixmier Map for Nilpotent Super Lie Algebras

NASA Astrophysics Data System (ADS)

Herscovich, Estanislao

2012-07-01

In this article we prove that there exists a Dixmier map for nilpotent super Lie algebras. In other words, if we denote by {Prim({U}({g}))} the set of (graded) primitive ideals of the enveloping algebra {{U}({g})} of a nilpotent Lie superalgebra {{g}} and {{A}d0} the adjoint group of {{g}0}, we prove that the usual Dixmier map for nilpotent Lie algebras can be naturally extended to the context of nilpotent super Lie algebras, i.e. there exists a bijective map I : {g}0^{*}/{A}d0 rightarrow Prim({U}({g})) defined by sending the equivalence class [ λ] of a functional λ to a primitive ideal I( λ) of {{U}({g})}, and which coincides with the Dixmier map in the case of nilpotent Lie algebras. Moreover, the construction of the previous map is explicit, and more or less parallel to the one for Lie algebras, a major difference with a previous approach ( cf. [18]). One key fact in the construction is the existence of polarizations for super Lie algebras, generalizing the concept defined for Lie algebras. As a corollary of the previous description, we obtain the isomorphism {{U}({g})/I(λ) ˜eq Cliffq(k) ⊗ Ap(k)}, where {(p,q) = (dim({g}0/{g}0^{λ})/2,dim({g}1/{g}1^{λ}))}, we get a direct construction of the maximal ideals of the underlying algebra of {{U}({g})} and also some properties of the stabilizers of the primitive ideals of {{U}({g})}.

Primitive neuroectodermal tumors of the central nervous system.

PubMed

Becker, L E; Hinton, D

1983-06-01

Primitive neuroectodermal tumors are morphologically similar malignant tumors arising in intracranial and peripheral sites of the nervous system, showing varying degrees of cellular differentiation with a tendency to disseminate along cerebrospinal fluid pathways. They occur primarily in children and young adults. Under the designation primitive neuroectodermal tumors are included medulloblastomas and tumors that may differentiate in other directions, such as medulloepithelioma, neuroblastoma, polar spongioblastoma, pineoblastoma, ependymoblastoma, retinoblastoma, and olfactory neuroblastoma. From a practical, histologic point of view, these tumors are often indistinguishable from one another and are best thought of as primitive neuroectodermal tumors with or without differentiating features.
Preliminary Study on Appearance-Based Detection of Anatomical Point Landmarks in Body Trunk CT Images

NASA Astrophysics Data System (ADS)

Nemoto, Mitsutaka; Nomura, Yukihiro; Hanaoka, Shohei; Masutani, Yoshitaka; Yoshikawa, Takeharu; Hayashi, Naoto; Yoshioka, Naoki; Ohtomo, Kuni

Anatomical point landmarks as most primitive anatomical knowledge are useful for medical image understanding. In this study, we propose a detection method for anatomical point landmark based on appearance models, which include gray-level statistical variations at point landmarks and their surrounding area. The models are built based on results of Principal Component Analysis (PCA) of sample data sets. In addition, we employed generative learning method by transforming ROI of sample data. In this study, we evaluated our method with 24 data sets of body trunk CT images and obtained 95.8 ± 7.3 % of the average sensitivity in 28 landmarks.
PECHCV, PECHFV, PEFHCV and PEFHFV: A set of atmospheric, primitive equation forecast models for the Northern Hemisphere, volume 3

NASA Technical Reports Server (NTRS)

Wellck, R. E.; Pearce, M. L.

1976-01-01

As part of the SEASAT program of NASA, a set of four hemispheric, atmospheric prediction models were developed. The models, which use a polar stereographic grid in the horizontal and a sigma coordinate in the vertical, are: (1) PECHCV - five sigma layers and a 63 x 63 horizontal grid, (2) PECHFV - ten sigma layers and a 63 x 63 horizontal grid, (3) PEFHCV - five sigma layers and a 187 x 187 horizontal grid, and (4) PEFHFV - ten sigma layers and a 187 x 187 horizontal grid. The models and associated computer programs are described.
A comparative study of prebiotic and present day translational models

NASA Technical Reports Server (NTRS)

Rein, R.; Raghunathan, G.; Mcdonald, J.; Shibata, M.; Srinivasan, S.

1986-01-01

It is generally recognized that the understanding of the molecular basis of primitive translation is a fundamental step in developing a theory of the origin of life. However, even in modern molecular biology, the mechanism for the decoding of messenger RNA triplet codons into an amino acid sequence of a protein on the ribosome is understood incompletely. Most of the proposed models for prebiotic translation lack, not only experimental support, but also a careful theoretical scrutiny of their compatibility with well understood stereochemical and energetic principles of nucleic acid structure, molecular recognition principles, and the chemistry of peptide bond formation. Present studies are concerned with comparative structural modelling and mechanistic simulation of the decoding apparatus ranging from those proposed for prebiotic conditions to the ones involved in modern biology. Any primitive decoding machinery based on nucleic acids and proteins, and most likely the modern day system, has to satisfy certain geometrical constraints. The charged amino acyl and the peptidyl termini of successive adaptors have to be adjacent in space in order to satisfy the stereochemical requirements for amide bond formation. Simultaneously, the same adaptors have to recognize successive codons on the messenger. This translational complex has to be realized by components that obey nucleic acid conformational principles, stabilities, and specificities. This generalized condition greatly restricts the number of acceptable adaptor structures.
Tentaculate fossils from the Cambrian of Canada (British Columbia) and China (Yunnan) interpreted as primitive deuterostomes.

PubMed

Caron, Jean-Bernard; Conway Morris, Simon; Shu, Degan

2010-03-08

Molecular and morphological evidence unite the hemichordates and echinoderms as the Ambulacraria, but their earliest history remains almost entirely conjectural. This is on account of the morphological disparity of the ambulacrarians and a paucity of obvious stem-groups. We describe here a new taxon Herpetogaster collinsi gen. et sp. nov. from the Burgess Shale (Middle Cambrian) Lagerstätte. This soft-bodied vermiform animal has a pair of elongate dendritic oral tentacles, a flexible stolon with an attachment disc, and a re-curved trunk with at least 13 segments that is directed dextrally. A differentiated but un-looped gut is enclosed in a sac suspended by mesenteries. It consists of a short pharynx, a conspicuous lenticular stomach, followed by a narrow intestine sub-equal in length. This new taxon, together with the Lower Cambrian Phlogites and more intriguingly the hitherto enigmatic discoidal eldoniids (Cambrian-Devonian), form a distinctive clade (herein the cambroernids). Although one hypothesis of their relationships would look to the lophotrochozoans (specifically the entoprocts), we suggest that the evidence is more consistent with their being primitive deuterostomes, with specific comparisons being made to the pterobranch hemichordates and pre-radial echinoderms. On this basis some of the earliest ambulacrarians are interpreted as soft-bodied animals with a muscular stalk, and possessing prominent tentacles.
Designers Workbench: Towards Real-Time Immersive Modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuester, F; Duchaineau, M A; Hamann, B

2001-10-03

This paper introduces the DesignersWorkbench, a semi-immersive virtual environment for two-handed modeling, sculpting and analysis tasks. The paper outlines the fundamental tools, design metaphors and hardware components required for an intuitive real-time modeling system. As companies focus on streamlining productivity to cope with global competition, the migration to computer-aided design (CAD), computer-aided manufacturing (CAM), and computer-aided engineering (CAE) systems has established a new backbone of modern industrial product development. However, traditionally a product design frequently originates from a clay model that, after digitization, forms the basis for the numerical description of CAD primitives. The DesignersWorkbench aims at closing this technologymore » or ''digital gap'' experienced by design and CAD engineers by transforming the classical design paradigm into its filly integrated digital and virtual analog allowing collaborative development in a semi-immersive virtual environment. This project emphasizes two key components from the classical product design cycle: freeform modeling and analysis. In the freeform modeling stage, content creation in the form of two-handed sculpting of arbitrary objects using polygonal, volumetric or mathematically defined primitives is emphasized, whereas the analysis component provides the tools required for pre- and post-processing steps for finite element analysis tasks applied to the created models.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)

Witte, Jonathon; Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720; Neaton, Jeffrey B.

With the aim of systematically characterizing the convergence of common families of basis sets such that general recommendations for basis sets can be made, we have tested a wide variety of basis sets against complete-basis binding energies across the S22 set of intermolecular interactions—noncovalent interactions of small and medium-sized molecules consisting of first- and second-row atoms—with three distinct density functional approximations: SPW92, a form of local-density approximation; B3LYP, a global hybrid generalized gradient approximation; and B97M-V, a meta-generalized gradient approximation with nonlocal correlation. We have found that it is remarkably difficult to reach the basis set limit; for the methodsmore » and systems examined, the most complete basis is Jensen’s pc-4. The Dunning correlation-consistent sequence of basis sets converges slowly relative to the Jensen sequence. The Karlsruhe basis sets are quite cost effective, particularly when a correction for basis set superposition error is applied: counterpoise-corrected def2-SVPD binding energies are better than corresponding energies computed in comparably sized Dunning and Jensen bases, and on par with uncorrected results in basis sets 3-4 times larger. These trends are exhibited regardless of the level of density functional approximation employed. A sense of the magnitude of the intrinsic incompleteness error of each basis set not only provides a foundation for guiding basis set choice in future studies but also facilitates quantitative comparison of existing studies on similar types of systems.« less
Density of Primitive Pythagorean Triples

ERIC Educational Resources Information Center

Killen, Duncan A.

2004-01-01

Based on the properties of a Primitive Pythagorean Triple (PPT), a computer program was written to generate, print, and count all PPTs greater than or equal to I[subscript x], where I[subscript x] is an arbitrarily chosen integer. The Density of Primitive Pythagorean Triples may be defined as the ratio of the number of PPTs whose hypotenuse is…
A Discussion on the Substitution Method for Trigonometric Rational Functions

ERIC Educational Resources Information Center

Ponce-Campuzano, Juan Carlos; Rivera-Figueroa, Antonio

2011-01-01

It is common to see, in the books on calculus, primitives of functions (some authors use the word "antiderivative" instead of primitive). However, the majority of authors pay scant attention to the domains over which the primitives are valid, which could lead to errors in the evaluation of definite integrals. In the teaching of calculus, in…
A manual for PARTI runtime primitives

NASA Technical Reports Server (NTRS)

Berryman, Harry; Saltz, Joel

1990-01-01

Primitives are presented that are designed to help users efficiently program irregular problems (e.g., unstructured mesh sweeps, sparse matrix codes, adaptive mesh partial differential equations solvers) on distributed memory machines. These primitives are also designed for use in compilers for distributed memory multiprocessors. Communications patterns are captured at runtime, and the appropriate send and receive messages are automatically generated.
Toward the improvement of trail classification in national parks using the recreation opportunity spectrum approach.

PubMed

Oishi, Yoshitaka

2013-06-01

Trail settings in national parks are essential management tools for improving both ecological conservation efforts and the quality of visitor experiences. This study proposes a plan for the appropriate maintenance of trails in Chubusangaku National Park, Japan, based on the recreation opportunity spectrum (ROS) approach. First, we distributed 452 questionnaires to determine park visitors' preferences for setting a trail (response rate = 68 %). Respondents' preferences were then evaluated according to the following seven parameters: access, remoteness, naturalness, facilities and site management, social encounters, visitor impact, and visitor management. Using nonmetric multidimensional scaling and cluster analysis, the visitors were classified into seven groups. Last, we classified the actual trails according to the visitor questionnaire criteria to examine the discrepancy between visitors' preferences and actual trail settings. The actual trail classification indicated that while most developed trails were located in accessible places, primitive trails were located in remote areas. However, interestingly, two visitor groups seemed to prefer a well-conserved natural environment and, simultaneously, easily accessible trails. This finding does not correspond to a premise of the ROS approach, which supposes that primitive trails should be located in remote areas without ready access. Based on this study's results, we propose that creating trails, which afford visitors the opportunity to experience a well-conserved natural environment in accessible areas is a useful means to provide visitors with diverse recreation opportunities. The process of data collection and analysis in this study can be one approach to produce ROS maps for providing visitors with recreational opportunities of greater diversity and higher quality.
Accuracy of Lagrange-sinc functions as a basis set for electronic structure calculations of atoms and molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choi, Sunghwan; Hong, Kwangwoo; Kim, Jaewook

2015-03-07

We developed a self-consistent field program based on Kohn-Sham density functional theory using Lagrange-sinc functions as a basis set and examined its numerical accuracy for atoms and molecules through comparison with the results of Gaussian basis sets. The result of the Kohn-Sham inversion formula from the Lagrange-sinc basis set manifests that the pseudopotential method is essential for cost-effective calculations. The Lagrange-sinc basis set shows faster convergence of the kinetic and correlation energies of benzene as its size increases than the finite difference method does, though both share the same uniform grid. Using a scaling factor smaller than or equal tomore » 0.226 bohr and pseudopotentials with nonlinear core correction, its accuracy for the atomization energies of the G2-1 set is comparable to all-electron complete basis set limits (mean absolute deviation ≤1 kcal/mol). The same basis set also shows small mean absolute deviations in the ionization energies, electron affinities, and static polarizabilities of atoms in the G2-1 set. In particular, the Lagrange-sinc basis set shows high accuracy with rapid convergence in describing density or orbital changes by an external electric field. Moreover, the Lagrange-sinc basis set can readily improve its accuracy toward a complete basis set limit by simply decreasing the scaling factor regardless of systems.« less
Emergence of Functional Hierarchy in a Multiple Timescale Neural Network Model: A Humanoid Robot Experiment

PubMed Central

Yamashita, Yuichi; Tani, Jun

2008-01-01

It is generally thought that skilled behavior in human beings results from a functional hierarchy of the motor control system, within which reusable motor primitives are flexibly integrated into various sensori-motor sequence patterns. The underlying neural mechanisms governing the way in which continuous sensori-motor flows are segmented into primitives and the way in which series of primitives are integrated into various behavior sequences have, however, not yet been clarified. In earlier studies, this functional hierarchy has been realized through the use of explicit hierarchical structure, with local modules representing motor primitives in the lower level and a higher module representing sequences of primitives switched via additional mechanisms such as gate-selecting. When sequences contain similarities and overlap, however, a conflict arises in such earlier models between generalization and segmentation, induced by this separated modular structure. To address this issue, we propose a different type of neural network model. The current model neither makes use of separate local modules to represent primitives nor introduces explicit hierarchical structure. Rather than forcing architectural hierarchy onto the system, functional hierarchy emerges through a form of self-organization that is based on two distinct types of neurons, each with different time properties (“multiple timescales”). Through the introduction of multiple timescales, continuous sequences of behavior are segmented into reusable primitives, and the primitives, in turn, are flexibly integrated into novel sequences. In experiments, the proposed network model, coordinating the physical body of a humanoid robot through high-dimensional sensori-motor control, also successfully situated itself within a physical environment. Our results suggest that it is not only the spatial connections between neurons but also the timescales of neural activity that act as important mechanisms leading to functional hierarchy in neural systems. PMID:18989398
Comet Dust: The Diversity of "Primitive" Particles and Implications

NASA Technical Reports Server (NTRS)

Wooden, Diane H.; Ishii, Hope A.; Bradley, John P.; Zolensky, Michael E.

2016-01-01

Comet dust is primitive and shows significant diversity. Our knowledge of the properties of primitive particles has expanded significantly through microscale investigations of cosmic dust samples ( IDP's(Interplanetary Dust Particles) and AMM's (Antarctic Micrometeorites)) and of comet dust samples (Stardust and Rosetta's COSIMA), as well as through remote sensing (spectroscopy and imaging) via Spitzer and via spacecraft encounters with 103P/Hartley 2 and 67P/Churyumov-Gerasimenko. Microscale investigations show that comet dust and cosmic dust are particles of unequilibrated materials, including aggregates of materials unequilibrated at submicron scales. We call unequilibrated materials "primitive" and we deduce they were incorporated into ice-rich (H2O-, CO2-, and CO-ice) parent bodies that remained cold, i.e., into comets, because of the lack of aqueous or thermal alteration since particle aggregation; yet some Stardust olivines suggest mild thermal metamorphism. Primitive particles exhibit a diverse range of: structure and typology; size and size distribution of constituents; concentration and form of carbonaceous and organic matter; D-, N-, and O- isotopic enhancements over solar; Mg-, Fe-contents of the silicate minerals; the compositions and concentrations of sulfides, and of less abundant mineral species such as chondrules, CAIs and carbonates. The uniformity within a group of samples points to: aerodynamic sorting of particles and/or particle constituents; the inclusion of a limited range of oxygen fugacities; the inclusion or exclusion of chondrules; a selection of organics. The properties of primitive particles imply there were disk processes that resulted in different comets having particular selections of primitive materials. The diversity of primitive particles has implications for the diversity of materials in the protoplanetary disk present at the time and in the region where the comets formed.
Comet Dust: The Diversity of Primitive Particles and Implications

NASA Technical Reports Server (NTRS)

John Bradley; Zolensky, Michael E.

2016-01-01

Comet dust is primitive and shows significant diversity. Our knowledge of the properties of primitive particles has expanded significantly through microscale investigations of cosmic dust samples (IDPs and AMMs) and of comet dust samples (Stardust and Rosetta's COSIMA), as well as through remote sensing (spectroscopy and imaging) via Spitzer and via spacecraft encounters with 103P/Hartley 2 and 67P/Churyumov-Gerasimenko. Microscale investigations show that comet dust and cosmic dust are particles of unequilibrated materials, including aggregates of materials unequilibrated at submicron scales. We call unequilibrated materials "primitive" and we deduce they were incorporated into ice--rich (H2O-, CO2-, and CO-ice) parent bodies that remained cold, i.e., into comets, because of the lack of aqueous or thermal alteration since particle aggregation; yet some Stardust olivines suggest mild thermal metamorphism. Primitive particles exhibit a diverse range of: structure and typology; size and size distribution of constituents; concentration and form of carbonaceous and organic matter; D-, N-, and O- isotopic enhancements over solar; Mg-, Fe-contentsof thesilicate minerals; the compositions and concentrations of sulfides, and of less abundant mineral species such as chondrules, CAIs and carbonates. The unifomity within a group of samples points to: aerodynamic sorting of particles and/or particle constituents; the inclusion of a limited range of oxygen fugacities; the inclusion or exclusion of chondrules; a selection of organics. The properites of primitive particles imply there were disk processes that resulted in different comets having particular selections of primitive materials. The diversity of primitive particles has implications for the diversity of materials in the protoplanetary disk present at the time and in the region where the comets formed.
Retention of primitive reflexes and delayed motor development in very low birth weight infants.

PubMed

Marquis, P J; Ruiz, N A; Lundy, M S; Dillard, R G

1984-06-01

Primitive reflexes and motor development were evaluated in 127 very low birth weight (VLBW) infants (birth weight less than 1501 grams) at four months corrected age. The asymmetrical tonic neck reflex, tonic labyrinth reflex, and Moro reflex were assessed for each child. The ability of each child to reach (obtain a red ring) and roll were observed. The child's performance on the gross motor scale of the Denver Development Screening Test was recorded. Thirty-seven term infants were administered identical evaluations at four months of age. The VLBW infants retained stronger primitive reflexes and exhibited a significantly higher incidence of motor delays than term infants. Significant correlations existed between the strength of the primitive reflexes and early motor development for VLBW infants. This study confirms a high incidence of motor delays among VLBW infants and demonstrates a clear association between retained primitive reflexes and delayed motor development in VLBW infants.
RIPE integrity primitives, part 2 (RACE Integrity Primitives Evaluation)

NASA Astrophysics Data System (ADS)

Denboer, B.; Boly, J. P.; Bosselaers, A.; Brandt, J.; Chaum, D.; Damgaard, I.; Dichtl, M.; Fumy, W.; Vanderham, M.; Jansen, C. J. A.

1993-04-01

A manual intended for those seeking to secure information systems by applying modern cryptography is presented. It represents the successful attainment of goals by RIPE (RACE (Research and development of Advanced Communications technology in Europe) Integrity Primitives Evaluation). The recommended portfolio of integrity primitives, which is the main product of the project, forms the heart of the manual. By integrity, is meant the kinds of security that can be achieved through cryptography, apart from keeping messages secret. Thus included are ways to ensure that stored or communicated data is not illicitly modified, that parties exchanging messages are actually present, and that 'signed' electronic messages can be recognized as authentic by anyone. Of particular concern to the project were the high speed requirements of broadband communication. The project also aimed for completeness in its recommendations. As a result, the portfolio contains primitives, that is building blocks, that can meet most of today's perceived needs for integrity.
RIPE integrity primitives, part 1 (RACE Integrity Primitives Evaluation)

NASA Astrophysics Data System (ADS)

Denboer, B.; Boly, J. P.; Bosselaers, A.; Brandt, J.; Chaum, D.; Damgaard, I.; Dichtl, M.; Fumy, W.; Vanderham, M.; Jansen, C. J. A.

1993-04-01

A manual intended for those seeking to secure information systems by applying modern cryptography is presented. It represents the successful attainment of goals by RIPE (RACE (Research and development of Advanced Communication technology in Europe) Integrity Primitives Evaluation). The recommended portfolio of integrity primitives, which is the main product of the project, forms the heart of the manual. By integrity, is meant the kinds of security that can be achieved through cryptography, apart from keeping messages secret. Thus included are ways to ensure that stored or communicated data is not illicitly modified, that parties exchanging messages are actually present, and that 'signed' electronic messages can be recognized as authentic by anyone. Of particular concern to the project were the high speed requirements of broadband communication. The project also aimed for completeness in its recommendations. As a result, the portfolio contains primitives, that is building blocks, that can meet most of today's perceived needs for integrity.
Optimization of selected molecular orbitals in group basis sets.

PubMed

Ferenczy, György G; Adams, William H

2009-04-07

We derive a local basis equation which may be used to determine the orbitals of a group of electrons in a system when the orbitals of that group are represented by a group basis set, i.e., not the basis set one would normally use but a subset suited to a specific electronic group. The group orbitals determined by the local basis equation minimize the energy of a system when a group basis set is used and the orbitals of other groups are frozen. In contrast, under the constraint of a group basis set, the group orbitals satisfying the Huzinaga equation do not minimize the energy. In a test of the local basis equation on HCl, the group basis set included only 12 of the 21 functions in a basis set one might ordinarily use, but the calculated active orbital energies were within 0.001 hartree of the values obtained by solving the Hartree-Fock-Roothaan (HFR) equation using all 21 basis functions. The total energy found was just 0.003 hartree higher than the HFR value. The errors with the group basis set approximation to the Huzinaga equation were larger by over two orders of magnitude. Similar results were obtained for PCl(3) with the group basis approximation. Retaining more basis functions allows an even higher accuracy as shown by the perfect reproduction of the HFR energy of HCl with 16 out of 21 basis functions in the valence basis set. When the core basis set was also truncated then no additional error was introduced in the calculations performed for HCl with various basis sets. The same calculations with fixed core orbitals taken from isolated heavy atoms added a small error of about 10(-4) hartree. This offers a practical way to calculate wave functions with predetermined fixed core and reduced base valence orbitals at reduced computational costs. The local basis equation can also be used to combine the above approximations with the assignment of local basis sets to groups of localized valence molecular orbitals and to derive a priori localized orbitals. An appropriately chosen localization and basis set assignment allowed a reproduction of the energy of n-hexane with an error of 10(-5) hartree, while the energy difference between its two conformers was reproduced with a similar accuracy for several combinations of localizations and basis set assignments. These calculations include localized orbitals extending to 4-5 heavy atoms and thus they require to solve reduced dimension secular equations. The dimensions are not expected to increase with increasing system size and thus the local basis equation may find use in linear scaling electronic structure calculations.
Accurate Methods for Large Molecular Systems (Preprint)

DTIC Science & Technology

2009-01-06

tensor, EFP calculations are basis set dependent. The smallest recommended basis set is 6- 31++G( d , p )52 The dependence of the computational cost of...and second order perturbation theory (MP2) levels with the 6-31G( d , p ) basis set. Additional SFM tests are presented for a small set of alpha...helices using the 6-31++G( d , p ) basis set. The larger 6-311++G(3df,2p) basis set is employed for creating all EFPs used for non- bonded interactions, since

A manual for PARTI runtime primitives, revision 1

NASA Technical Reports Server (NTRS)

Das, Raja; Saltz, Joel; Berryman, Harry

1991-01-01

Primitives are presented that are designed to help users efficiently program irregular problems (e.g., unstructured mesh sweeps, sparse matrix codes, adaptive mesh partial differential equations solvers) on distributed memory machines. These primitives are also designed for use in compilers for distributed memory multiprocessors. Communications patterns are captured at runtime, and the appropriate send and receive messages are automatically generated.
Fast concurrent array-based stacks, queues and deques using fetch-and-increment-bounded, fetch-and-decrement-bounded and store-on-twin synchronization primitives

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Dong; Gara, Alana; Heidelberger, Philip

Implementation primitives for concurrent array-based stacks, queues, double-ended queues (deques) and wrapped deques are provided. In one aspect, each element of the stack, queue, deque or wrapped deque data structure has its own ticket lock, allowing multiple threads to concurrently use multiple elements of the data structure and thus achieving high performance. In another aspect, new synchronization primitives FetchAndIncrementBounded (Counter, Bound) and FetchAndDecrementBounded (Counter, Bound) are implemented. These primitives can be implemented in hardware and thus promise a very fast throughput for queues, stacks and double-ended queues.
Probabilistic structural analysis of a truss typical for space station

NASA Technical Reports Server (NTRS)

Pai, Shantaram S.

1990-01-01

A three-bay, space, cantilever truss is probabilistically evaluated using the computer code NESSUS (Numerical Evaluation of Stochastic Structures Under Stress) to identify and quantify the uncertainties and respective sensitivities associated with corresponding uncertainties in the primitive variables (structural, material, and loads parameters) that defines the truss. The distribution of each of these primitive variables is described in terms of one of several available distributions such as the Weibull, exponential, normal, log-normal, etc. The cumulative distribution function (CDF's) for the response functions considered and sensitivities associated with the primitive variables for given response are investigated. These sensitivities help in determining the dominating primitive variables for that response.
Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: the case of LiH.

PubMed

Usvyat, Denis; Civalleri, Bartolomeo; Maschio, Lorenzo; Dovesi, Roberto; Pisani, Cesare; Schütz, Martin

2011-06-07

The atomic orbital basis set limit is approached in periodic correlated calculations for solid LiH. The valence correlation energy is evaluated at the level of the local periodic second order Møller-Plesset perturbation theory (MP2), using basis sets of progressively increasing size, and also employing "bond"-centered basis functions in addition to the standard atom-centered ones. Extended basis sets, which contain linear dependencies, are processed only at the MP2 stage via a dual basis set scheme. The local approximation (domain) error has been consistently eliminated by expanding the orbital excitation domains. As a final result, it is demonstrated that the complete basis set limit can be reached for both HF and local MP2 periodic calculations, and a general scheme is outlined for the definition of high-quality atomic-orbital basis sets for solids. © 2011 American Institute of Physics
An expanded calibration study of the explicitly correlated CCSD(T)-F12b method using large basis set standard CCSD(T) atomization energies.

PubMed

Feller, David; Peterson, Kirk A

2013-08-28

The effectiveness of the recently developed, explicitly correlated coupled cluster method CCSD(T)-F12b is examined in terms of its ability to reproduce atomization energies derived from complete basis set extrapolations of standard CCSD(T). Most of the standard method findings were obtained with aug-cc-pV7Z or aug-cc-pV8Z basis sets. For a few homonuclear diatomic molecules it was possible to push the basis set to the aug-cc-pV9Z level. F12b calculations were performed with the cc-pVnZ-F12 (n = D, T, Q) basis set sequence and were also extrapolated to the basis set limit using a Schwenke-style, parameterized formula. A systematic bias was observed in the F12b method with the (VTZ-F12/VQZ-F12) basis set combination. This bias resulted in the underestimation of reference values associated with small molecules (valence correlation energies <0.5 E(h)) and an even larger overestimation of atomization energies for bigger systems. Consequently, caution should be exercised in the use of F12b for high accuracy studies. Root mean square and mean absolute deviation error metrics for this basis set combination were comparable to complete basis set values obtained with standard CCSD(T) and the aug-cc-pVDZ through aug-cc-pVQZ basis set sequence. However, the mean signed deviation was an order of magnitude larger. Problems partially due to basis set superposition error were identified with second row compounds which resulted in a weak performance for the smaller VDZ-F12/VTZ-F12 combination of basis sets.
Optimized auxiliary basis sets for density fitted post-Hartree-Fock calculations of lanthanide containing molecules

NASA Astrophysics Data System (ADS)

Chmela, Jiří; Harding, Michael E.

2018-06-01

Optimised auxiliary basis sets for lanthanide atoms (Ce to Lu) for four basis sets of the Karlsruhe error-balanced segmented contracted def2 - series (SVP, TZVP, TZVPP and QZVPP) are reported. These auxiliary basis sets enable the use of the resolution-of-the-identity (RI) approximation in post Hartree-Fock methods - as for example, second-order perturbation theory (MP2) and coupled cluster (CC) theory. The auxiliary basis sets are tested on an enlarged set of about a hundred molecules where the test criterion is the size of the RI error in MP2 calculations. Our tests also show that the same auxiliary basis sets can be used together with different effective core potentials. With these auxiliary basis set calculations of MP2 and CC quality can now be performed efficiently on medium-sized molecules containing lanthanides.
Ab Initio Density Fitting: Accuracy Assessment of Auxiliary Basis Sets from Cholesky Decompositions.

PubMed

Boström, Jonas; Aquilante, Francesco; Pedersen, Thomas Bondo; Lindh, Roland

2009-06-09

The accuracy of auxiliary basis sets derived by Cholesky decompositions of the electron repulsion integrals is assessed in a series of benchmarks on total ground state energies and dipole moments of a large test set of molecules. The test set includes molecules composed of atoms from the first three rows of the periodic table as well as transition metals. The accuracy of the auxiliary basis sets are tested for the 6-31G**, correlation consistent, and atomic natural orbital basis sets at the Hartree-Fock, density functional theory, and second-order Møller-Plesset levels of theory. By decreasing the decomposition threshold, a hierarchy of auxiliary basis sets is obtained with accuracies ranging from that of standard auxiliary basis sets to that of conventional integral treatments.
An apatite-rich, ferroan, mafic lithology from lunar meteorite ALHA81005

NASA Technical Reports Server (NTRS)

Goodrich, C. A.; Taylor, G. J.; Keil, K.

1985-01-01

Antarctic meteorite Allan Hills A81005 is a polymict, anorthositic regolith breccia of lunar origin. Most lithic clasts in the meteorite 81005 are similar to those from other lunar rocks. However, some, such as 'hyperferroan' anorthosites, have not been reported before the discovery of 81005. On the basis of the composition of some granulitic polymict breccia clasts, it appears possible that other new lithologies are present. In the present paper, a description is provided of an unusual, apatite-rich, ferroan, mafic lithology, and its origin is discussed. Three clasts which appeared to contain two minerals were separated as samples ,32 ,28 and ,27. It is found in a study that the clast in ,32 and ,28 is an apatite-rich ferroan anorthositic troctolite which is probably pristine. This rock is unique among lunar samples. On the basis of an evaluation of the significance of the results of the study, it is concluded that complex processes were apparently involved in the evolution of the primitive lunar crust.
Fundamental procedures of geographic information analysis

NASA Technical Reports Server (NTRS)

Berry, J. K.; Tomlin, C. D.

1981-01-01

Analytical procedures common to most computer-oriented geographic information systems are composed of fundamental map processing operations. A conceptual framework for such procedures is developed and basic operations common to a broad range of applications are described. Among the major classes of primitive operations identified are those associated with: reclassifying map categories as a function of the initial classification, the shape, the position, or the size of the spatial configuration associated with each category; overlaying maps on a point-by-point, a category-wide, or a map-wide basis; measuring distance; establishing visual or optimal path connectivity; and characterizing cartographic neighborhoods based on the thematic or spatial attributes of the data values within each neighborhood. By organizing such operations in a coherent manner, the basis for a generalized cartographic modeling structure can be developed which accommodates a variety of needs in a common, flexible and intuitive manner. The use of each is limited only by the general thematic and spatial nature of the data to which it is applied.
Comparative Anatomy of Maintenance Tasks (CAMT): A Feasibility Study

DTIC Science & Technology

1992-03-01

systems. Methods for task primitive definition were developed, then taken into the field for testing . Task primitives were defined to cover three remove...engine maintenance) and to test whether task primitives developed for one weapon system could have applicability to other weapon systems (Phase 2...requirements, levying MPT constraints and predicting MPT requirements are only ritualistic exercises until the operational test and evaluation of a
Voyager and the origin of the solar system

NASA Technical Reports Server (NTRS)

Prentice, A. J. R.

1981-01-01

A unified model for the formation of regular satellite systems and the planetary system is outlined. The basis for this modern Laplacian theory is that there existed a large supersonic turbulent stress arising from overshooting convective motions within the three primitive gaseous clouds which formed Jupiter, Saturn, and the Sun. Calculations show that if each cloud possessed the same fraction of supersonic turbulent energy, equal to about 5% of the cloud's gravitational potential energy, then the broad mass distribution and chemistry of all regular satellite and planetary systems can be simultaneously accounted for. Titan is probably a captured moon of Saturn. Several predictions about observations made by Voyager 2 at Saturn are presented.
Origin of fatty acid synthesis - Thermodynamics and kinetics of reaction pathways

NASA Technical Reports Server (NTRS)

Weber, Arthur L.

1991-01-01

The primitiveness of contemporary fatty acid biosynthesis was evaluated by using the thermodynamics and kinetics of its component reactions to estimate the extent of its dependence on powerful and selective catalysis by enzymes. Since this analysis indicated that the modern pathway is not primitive because it requires sophisticated enzymatic catalysis, an alternative pathway of primitive fatty acid synthesis is proposed that uses glycolaldehyde as a substrate. In contrast to the modern pathway, this primitive pathway is not dependent on an exogenous source of phosphoanhydride energy. Furthermore, the chemical spontaneity of its reactions suggests that it could have been readily catalyzed by the rudimentary biocatalysts available at an early stage in the origin of life.
Physics of the primitive solar nebula and of giant gaseous protoplanets

NASA Technical Reports Server (NTRS)

Cameron, A. G. W.

1978-01-01

It has been proposed that the supernova responsible for injecting Al-26 into the early solar system was in fact responsible for triggering the collapse of an interstellar cloud in order to produce a system of stars, one of which would be the solar system. Details concerning the mechanism involved in such a process are discussed. Attention is given to the evolution of the primitive solar nebula, the instabilities in the primitive solar nebula, and the giant gaseous protoplanets. The principal conclusion to be drawn from the material presented is that the primitive solar nebula was a rather chaotic place, highly turbulent, with the multiple formation of giant gaseous protoplanets.
Possible complex organic compounds on Mars.

PubMed

Kobayashi, K; Sato, T; Kajishima, S; Kaneko, T; Ishikawa, Y; Saito, T

1997-01-01

It is suggested that primitive Mars had somehow similar environments as primitive Earth. If life was born on the primitive earth using organic compounds which were produced from the early Earth environment, the same types of organic compounds were also formed on primitive Mars. Such organic compounds might have been preserved on Mars still now. We are studying possible organic formation on primitive and present Mars. A gaseous mixture of CO2, CO, N2 and H2O with various mixing ratios were irradiated with high energy protons (major components of cosmic rays). Hydrogen cyanide and formaldehyde were detected among volatile products, and yellow-brown-colored water-soluble non-volatile substances were produced, which gave amino acids after acid-hydrolysis. Major part of "amino acid precursors" were not simple molecules like aminonitriles, but complex compounds which eluted earlier than free amino acids in cation-exchange HPLC. These organic compounds should be major targets in the future Mars mission. Strategy for the detection of the complex organics on Mars will be discussed.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Rossi, Tuomas P., E-mail: tuomas.rossi@alumni.aalto.fi; Sakko, Arto; Puska, Martti J.

We present an approach for generating local numerical basis sets of improving accuracy for first-principles nanoplasmonics simulations within time-dependent density functional theory. The method is demonstrated for copper, silver, and gold nanoparticles that are of experimental interest but computationally demanding due to the semi-core d-electrons that affect their plasmonic response. The basis sets are constructed by augmenting numerical atomic orbital basis sets by truncated Gaussian-type orbitals generated by the completeness-optimization scheme, which is applied to the photoabsorption spectra of homoatomic metal atom dimers. We obtain basis sets of improving accuracy up to the complete basis set limit and demonstrate thatmore » the performance of the basis sets transfers to simulations of larger nanoparticles and nanoalloys as well as to calculations with various exchange-correlation functionals. This work promotes the use of the local basis set approach of controllable accuracy in first-principles nanoplasmonics simulations and beyond.« less
Using Parallel Processing for Problem Solving.

DTIC Science & Technology

1979-12-01

are the basic parallel proces- sing primitive . Different goals of the system can be pursued in parallel by placing them in separate activities...Language primitives are provided for manipulating running activities. Viewpoints are a generalization of context FOM -(over "*’ DD I FON 1473 ’EDITION OF I...arc the basic parallel processing primitive . Different goals of the system can be pursued in parallel by placing them in separate activities. Language
Security Primitives for Reconfigurable Hardware-Based Systems

DTIC Science & Technology

2010-05-01

work, we propose security primitives using ideas centered around the notion of “moats and drawbridges .” The primitives encompass four design properties...Santa Bar- bara, CA 93106; email: sherwood@cs.ucsb.edu; R. Kastner, Department of Computer Science and Engineering , University of California, San...fingerprint reader), the other to control the ethernet IP core—and an AES encryption engine used by both of the processor cores. These cores are all implemented
Spectrum Analysis of Inertial and Subinertial Motions Based on Analyzed Winds and Wind-Driven Currents from a Primitive Equation General Ocean Circulation Model.

DTIC Science & Technology

1982-12-01

1Muter.Te Motions Based on Ana lyzed Winds and wind-driven December 1982 Currents from. a Primitive Squat ion General a.OW -love"*..* Oean Circulation...mew se"$ (comeS.... do oISN..u am ae~ 00do OWaor NUN Fourier and Rotary Spc , Analysis Modeled Inertial and Subinrtial Motion 4 Primitive Equation
A Generalized-Compliant-Motion Primitive

NASA Technical Reports Server (NTRS)

Backes, Paul G.

1993-01-01

Computer program bridges gap between planning and execution of compliant robotic motions developed and installed in control system of telerobot. Called "generalized-compliant-motion primitive," one of several task-execution-primitive computer programs, which receives commands from higher-level task-planning programs and executes commands by generating required trajectories and applying appropriate control laws. Program comprises four parts corresponding to nominal motion, compliant motion, ending motion, and monitoring. Written in C language.
A Human Factors Analysis of EVA Time Requirements

NASA Technical Reports Server (NTRS)

Pate, Dennis W.

1997-01-01

Human Factors Engineering (HFE) is a discipline whose goal is to engineer a safer, more efficient interface between humans and machines. HFE makes use of a wide range of tools and techniques to fulfill this goal. One of these tools is known as motion and time study, a technique used to develop time standards for given tasks. During the summer of 1995, a human factors motion and time study was initiated with the goals of developing a database of EVA task times and developing a method of utilizing the database to predict how long an EVA should take. Initial development relied on the EVA activities performed during the STS-61 (Hubble) mission. The first step of the study was to become familiar with EVA's, the previous task-time studies, and documents produced on EVA's. After reviewing these documents, an initial set of task primitives and task-time modifiers was developed. Data was collected from videotaped footage of two entire STS-61 EVA missions and portions of several others, each with two EVA astronauts. Feedback from the analysis of the data was used to further refine the primitives and modifiers used. The project was continued during the summer of 1996, during which data on human errors was also collected and analyzed. Additional data from the STS-71 mission was also collected. Analysis of variance techniques for categorical data was used to determine which factors may affect the primitive times and how much of an effect they have. Probability distributions for the various task were also generated. Further analysis of the modifiers and interactions is planned.

Intrapartum synthetic oxytocin reduce the expression of primitive reflexes associated with breastfeeding.

PubMed

Marín Gabriel, Miguel A; Olza Fernández, Ibone; Malalana Martínez, Ana M; González Armengod, Carmen; Costarelli, Valeria; Millán Santos, Isabel; Fernández-Cañadas Morillo, Aurora; Pérez Riveiro, Pilar; López Sánchez, Francisco; García Murillo, Lourdes

2015-05-01

Several synthetic peptide manipulations during the time surrounding birth can alter the specific neurohormonal status in the newborn brain. This study is aimed at assessing whether intrapartum oxytocin administration has any effect on primitive neonatal reflexes and determining whether such an effect is dose-dependent. A cohort prospective study was conducted at a tertiary hospital. Mother-infant dyads who received intrapartum oxytocin (n=53) were compared with mother-infant dyads who did not receive intrapartum oxytocin (n=45). Primitive neonatal reflexes (endogenous, antigravity, motor, and rhythmic reflexes) were quantified by analyzing videotaped breastfeeding sessions in a biological nurturing position. Two observers blind to the group assignment and the oxytocin dose analyzed the videotapes and assesed the newborn's state of consciousness according to the Brazelton scale. The release of all rhythmic reflexes (p=0.01), the antigravity reflex (p=0.04), and total primitive neonatal reflexes (p=0.02) in the group exposed to oxytocin was lower than in the group not exposed to oxytocin. No correlations were observed between the dose of oxytocin administered and the percentage of primitive neonatal reflexes released (r=0.03; p=0.82). Intrapartum oxytocin administration might inhibit the expression of several primitive neonatal reflexes associated with breastfeeding. This correlation does not seem to be dose-dependent.
A real-time robot arm collision detection system

NASA Technical Reports Server (NTRS)

Shaffer, Clifford A.; Herb, Gregory M.

1990-01-01

A data structure and update algorithm are presented for a prototype real time collision detection safety system for a multi-robot environment. The data structure is a variant of the octree, which serves as a spatial index. An octree recursively decomposes 3-D space into eight equal cubic octants until each octant meets some decomposition criteria. The octree stores cylspheres (cylinders with spheres on each end) and rectangular solids as primitives (other primitives can easily be added as required). These primitives make up the two seven degrees-of-freedom robot arms and environment modeled by the system. Octree nodes containing more than a predetermined number N of primitives are decomposed. This rule keeps the octree small, as the entire environment for the application can be modeled using a few dozen primitives. As robot arms move, the octree is updated to reflect their changed positions. During most update cycles, any given primitive does not change which octree nodes it is in. Thus, modification to the octree is rarely required. Incidents in which one robot arm comes too close to another arm or an object are reported. Cycle time for interpreting current joint angles, updating the octree, and detecting/reporting imminent collisions averages 30 milliseconds on an Intel 80386 processor running at 20 MHz.
Digital optical interconnects for photonic computing

NASA Astrophysics Data System (ADS)

Guilfoyle, Peter S.; Stone, Richard V.; Zeise, Frederick F.

1994-05-01

A 32-bit digital optical computer (DOC II) has been implemented in hardware utilizing 8,192 free-space optical interconnects. The architecture exploits parallel interconnect technology by implementing microcode at the primitive level. A burst mode of 0.8192 X 1012 binary operations per sec has been reliably demonstrated. The prototype has been successful in demonstrating general purpose computation. In addition to emulating the RISC instruction set within the UNIX operating environment, relational database text search operations have been implemented on DOC II.
Relativistic quantum cryptography

NASA Astrophysics Data System (ADS)

Kaniewski, Jedrzej

Special relativity states that information cannot travel faster than the speed of light, which means that communication between agents occupying distinct locations incurs some minimal delay. Alternatively, we can see it as temporary communication constraints between distinct agents and such constraints turn out to be useful for cryptographic purposes. In relativistic cryptography we consider protocols in which interactions occur at distinct locations at well-defined times and we investigate why such a setting allows to implement primitives which would not be possible otherwise. (Abstract shortened by UMI.).
An Overview of the Production Quality Compiler-Compiler Project

DTIC Science & Technology

1979-02-01

process. A parse tree is assumed, and there is a set of primitives for extracting information from it and for "walking" it: using its structure to...not adequate for, and even preclude, techniques that involve multiple phases, or non-trivial auxiliary data structures. In recent years there have...VALUE field of node 23: would indicate that the type of the value field was mtcger. As with "union mode" or "variant record" features in many
Fully automatic segmentation of the femur from 3D-CT images using primitive shape recognition and statistical shape models.

PubMed

Ben Younes, Lassad; Nakajima, Yoshikazu; Saito, Toki

2014-03-01

Femur segmentation is well established and widely used in computer-assisted orthopedic surgery. However, most of the robust segmentation methods such as statistical shape models (SSM) require human intervention to provide an initial position for the SSM. In this paper, we propose to overcome this problem and provide a fully automatic femur segmentation method for CT images based on primitive shape recognition and SSM. Femur segmentation in CT scans was performed using primitive shape recognition based on a robust algorithm such as the Hough transform and RANdom SAmple Consensus. The proposed method is divided into 3 steps: (1) detection of the femoral head as sphere and the femoral shaft as cylinder in the SSM and the CT images, (2) rigid registration between primitives of SSM and CT image to initialize the SSM into the CT image, and (3) fitting of the SSM to the CT image edge using an affine transformation followed by a nonlinear fitting. The automated method provided good results even with a high number of outliers. The difference of segmentation error between the proposed automatic initialization method and a manual initialization method is less than 1 mm. The proposed method detects primitive shape position to initialize the SSM into the target image. Based on primitive shapes, this method overcomes the problem of inter-patient variability. Moreover, the results demonstrate that our method of primitive shape recognition can be used for 3D SSM initialization to achieve fully automatic segmentation of the femur.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Kasuga, Toshihiro; Usui, Fumihiko; Hasegawa, Sunao

Primitive, outer-belt asteroids are generally of low albedo, reflecting carbonaceous compositions like those of CI and CM meteorites. However, a few outer-belt asteroids having high albedos are known, suggesting the presence of unusually reflective surface minerals or, conceivably, even exposed water ice. Here, we present near-infrared (1.1-2.5 {mu}m) spectra of four outer-belt C-complex asteroids with albedos {>=}0.1. We find no absorption features characteristic of water ice (near 1.5 and 2.0 {mu}m) in the objects. Intimate mixture models set limits to the water ice by weight {<=}2%. Asteroids (723) Hammonia and (936) Kunigunde are featureless and have (60%-95%) amorphous Mg pyroxenesmore » that might explain the high albedos. Asteroid (1276) Ucclia also shows a featureless reflection spectrum with (50%-60%) amorphous Mg pyroxenes. Asteroid (1576) Fabiola shows a possible weak, broad absorption band (1.5-2.1 {mu}m). The feature can be reproduced by (80%) amorphous Mg pyroxenes or orthopyroxene (crystalline silicate), either of which is likely to cause its high albedo. We discuss the origin of high-albedo components in primitive asteroids.« less
Generalized large-scale semigeostrophic approximations for the f-plane primitive equations

NASA Astrophysics Data System (ADS)

Oliver, Marcel; Vasylkevych, Sergiy

2016-05-01

We derive a family of balance models for rotating stratified flow in the primitive equation (PE) setting. By construction, the models possess conservation laws for energy and potential vorticity and are formally of the same order of accuracy as Hoskins’ semigeostrophic equations. Our construction is based on choosing a new coordinate frame for the PE variational principle in such a way that the consistently truncated Lagrangian degenerates. We show that the balance relations so obtained are elliptic when the fluid is stably stratified and certain smallness assumptions are satisfied. Moreover, the potential temperature can be recovered from the potential vorticity via inversion of a non-standard Monge-Ampère problem which is subject to the same ellipticity condition. While the present work is entirely formal, we conjecture, based on a careful rewriting of the equations of motion and a straightforward derivative count, that the Cauchy problem for the balance models is well posed subject to conditions on the initial data. Our family of models includes, in particular, the stratified analog of the L 1 balance model of Salmon.
Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C

NASA Astrophysics Data System (ADS)

Witte, Jonathon; Neaton, Jeffrey B.; Head-Gordon, Martin

2017-06-01

With the aim of mitigating the basis set error in density functional theory (DFT) calculations employing local basis sets, we herein develop two empirical corrections for basis set superposition error (BSSE) in the def2-SVPD basis, a basis which—when stripped of BSSE—is capable of providing near-complete-basis DFT results for non-covalent interactions. Specifically, we adapt the existing pairwise geometrical counterpoise (gCP) approach to the def2-SVPD basis, and we develop a beyond-pairwise approach, DFT-C, which we parameterize across a small set of intermolecular interactions. Both gCP and DFT-C are evaluated against the traditional Boys-Bernardi counterpoise correction across a set of 3402 non-covalent binding energies and isomerization energies. We find that the DFT-C method represents a significant improvement over gCP, particularly for non-covalently-interacting molecular clusters. Moreover, DFT-C is transferable among density functionals and can be combined with existing functionals—such as B97M-V—to recover large-basis results at a fraction of the cost.
SSM - SOLID SURFACE MODELER, VERSION 6.0

NASA Technical Reports Server (NTRS)

Goza, S. P.

1994-01-01

The Solid Surface Modeler (SSM) is an interactive graphics software application for solid-shaded and wireframe three- dimensional geometric modeling. It enables the user to construct models of real-world objects as simple as boxes or as complex as Space Station Freedom. The program has a versatile user interface that, in many cases, allows mouse input for intuitive operation or keyboard input when accuracy is critical. SSM can be used as a stand-alone model generation and display program and offers high-fidelity still image rendering. Models created in SSM can also be loaded into other software for animation or engineering simulation. (See the information below for the availability of SSM with the Object Orientation Manipulator program, OOM, a graphics software application for three-dimensional rendering and animation.) Models are constructed within SSM using functions of the Create Menu to create, combine, and manipulate basic geometric building blocks called primitives. Among the simpler primitives are boxes, spheres, ellipsoids, cylinders, and plates; among the more complex primitives are tubes, skinned-surface models and surfaces of revolution. SSM also provides several methods for duplicating models. Constructive Solid Geometry (CSG) is one of the most powerful model manipulation tools provided by SSM. The CSG operations implemented in SSM are union, subtraction and intersection. SSM allows the user to transform primitives with respect to each axis, transform the camera (the user's viewpoint) about its origin, apply texture maps and bump maps to model surfaces, and define color properties; to select and combine surface-fill attributes, including wireframe, constant, and smooth; and to specify models' points of origin (the positions about which they rotate). SSM uses Euler angle transformations for calculating the results of translation and rotation operations. The user has complete control over the modeling environment from within the system. A variety of file formats are supported to facilitate modification of models and to provide for translation to other formats. This combination of features makes SSM valuable for research and development beyond its intended role in the creation of simulation and animation models. SSM makes an important distinction between models, objects, and surfaces. Models consist of one or more objects and are the highest level geometric entity upon which SSM operates. File operations are performed solely at the model level. (All primitives are models consisting of a single object.) The majority of SSM's manipulation functions operate at the object level. Objects consist of one or more surfaces and surfaces may consist of one or more polygons, which are the structural basis for the modeling method used by SSM. Surfaces are the lowest-level geometric entity upon which SSM operates. Surface-fill attributes, for example, may be assigned at the surface level. Surfaces cannot exist except as part of an object and objects cannot exist except as part of a model. SSM can simultaneously accommodate as many models as the host computer's memory permits. In its default display mode, SSM renders model surfaces using two shading methods: constant shading and smooth shading. Constant shading reveals each polygon of an object's surfaces, giving the object an angular appearance. Smooth shading causes an object's polygons to blend into one another, giving its surfaces a smooth, continuous appearance. When used in proper combination, each of these methods contribute to object realism. SSM applies each method automatically during the creation of primitives, but the user can manually override the default settings. Both fill attributes and shading characteristics can be defined for individual surfaces, objects, and models. SSM provides two optional display modes for reducing rendering time for complex models. In wireframe mode, SSM represents all model geometry data in unshaded line drawings, and no hidden-surface removal is performed. In simple mode, only the outermost boundaries (or bounding volume) that define each model are depicted. In either case the user is allowed to trade off visual authenticity for update speed. SSM is written in C-language for implementation on SGI IRIS 4D series workstations running the IRIX operating system. A minimum of 8Mb of RAM is recommended for this program. The standard distribution medium for SSM is a .25 inch streaming magnetic IRIX tape cartridge in UNIX tar format. SSM is also offered as a bundle with a related program, OOM (Object Orientation Manipulator). Please see the abstract for SSM/OOM (COS-10047) for information about the bundled package. Version 6.0 of SSM was released in 1993.
Next Generation, 4-D Distributed Modeling and Visualization of Battlefield

DTIC Science & Technology

2006-07-14

accurate. However, the effectiveness of such a view is determined by its usability. If the picture contained all the information that had been...major key to success in such missions is the ability to model real-world urban areas accurately and effectively , so as to support US military mission...primitives (including the standard CG primitives such as plane, cube, wedge, polyhedron, cylinder and sphere, and high-order surface primitives such as
A Guide to FASTGEN Target Geometric Modeling

DTIC Science & Technology

1993-10-01

component part is described in plate mode. These rules apply to all primitives with the exception of rod mode primitives which are always accompanied by a...format. A detailed discussion of the rules for preparing the target description file, where components are described using primitives defined as triangles...NN position is 99, the diameter of a rod mode component is limited to a maximum of 1.98-inches. Theie are several rules and cautions associated with
Cave men: stone tools, Victorian science, and the 'primitive mind' of deep time.

PubMed

Pettitt, Paul B; White, Mark J

2011-03-20

Palaeoanthropology, the study of the evolution of humanity, arose in the nineteenth century. Excavations in Europe uncovered a series of archaeological sediments which provided proof that the antiquity of human life on Earth was far longer than the biblical six thousand years, and by the 1880s authors had constructed a basic paradigm of what 'primitive' human life was like. Here we examine the development of Victorian palaeoanthropology for what it reveals of the development of notions of cognitive evolution. It seems that Victorian specialists rarely addressed cognitive evolution explicitly, although several assumptions were generally made that arose from preconceptions derived from contemporary 'primitive' peoples. We identify three main phases of development of notions of the primitive mind in the period.
Primitive neuroectodermal tumor of the cervix: a case report

PubMed Central

2011-01-01

Introduction Peripheral primitive neuroectodermal tumor of the cervix uteri is extremely rare. Between 1987 and 2010, there were only nine cases reported in the English literature, with considerably different management policies. Case presentation A 45-year-old Iranian woman presented to our facility with a primitive neuroectodermal tumor of the cervix uteri. Her clinical stage IB2 tumor was treated successfully with chemotherapy. Our patient underwent radical hysterectomy. There was no trace of the tumor after four years of follow-up. Conclusions According to current knowledge, primitive neuroectodermal tumors belong to the Ewing's sarcoma family, and the improvement of treatment outcome in our patient was due to dose-intensive neoadjuvant chemotherapy, surgery and consolidation chemotherapy in accordance with the protocol for bony Ewing's sarcoma. PMID:21962148
Insights to primitive replication derived from structures of small oligonucleotides

NASA Technical Reports Server (NTRS)

Smith, G. K.; Fox, G. E.

1995-01-01

Available information on the structure of small oligonucleotides is surveyed. It is observed that even small oligomers typically exhibit defined structures over a wide range of pH and temperature. These structures rely on a plethora of non-standard base-base interactions in addition to the traditional Watson-Crick pairings. Stable duplexes, though typically antiparallel, can be parallel or staggered and perfect complementarity is not essential. These results imply that primitive template directed reactions do not require high fidelity. Hence, the extensive use of Watson-Crick complementarity in genes rather than being a direct consequence of the primitive condensation process, may instead reflect subsequent selection based on the advantage of accuracy in maintaining the primitive genetic machinery once it arose.
Representation of Muscle Synergies in the Primate Brain.

PubMed

Overduin, Simon A; d'Avella, Andrea; Roh, Jinsook; Carmena, Jose M; Bizzi, Emilio

2015-09-16

Evidence suggests that the CNS uses motor primitives to simplify movement control, but whether it actually stores primitives instead of computing solutions on the fly to satisfy task demands is a controversial and still-unanswered possibility. Also in contention is whether these primitives take the form of time-invariant muscle coactivations ("spatial" synergies) or time-varying muscle commands ("spatiotemporal" synergies). Here, we examined forelimb muscle patterns and motor cortical spiking data in rhesus macaques (Macaca mulatta) handling objects of variable shape and size. From these data, we extracted both spatiotemporal and spatial synergies using non-negative decomposition. Each spatiotemporal synergy represents a sequence of muscular or neural activations that appeared to recur frequently during the animals' behavior. Key features of the spatiotemporal synergies (including their dimensionality, timing, and amplitude modulation) were independently observed in the muscular and neural data. In addition, both at the muscular and neural levels, these spatiotemporal synergies could be readily reconstructed as sequential activations of spatial synergies (a subset of those extracted independently from the task data), suggestive of a hierarchical relationship between the two levels of synergies. The possibility that motor cortex may execute even complex skill using spatiotemporal synergies has novel implications for the design of neuroprosthetic devices, which could gain computational efficiency by adopting the discrete and low-dimensional control that these primitives imply. We studied the motor cortical and forearm muscular activity of rhesus macaques (Macaca mulatta) as they reached, grasped, and carried objects of varied shape and size. We applied non-negative matrix factorization separately to the cortical and muscular data to reduce their dimensionality to a smaller set of time-varying "spatiotemporal" synergies. Each synergy represents a sequence of cortical or muscular activity that recurred frequently during the animals' behavior. Salient features of the synergies (including their dimensionality, timing, and amplitude modulation) were observed at both the cortical and muscular levels. The possibility that the brain may execute even complex behaviors using spatiotemporal synergies has implications for neuroprosthetic algorithm design, which could become more computationally efficient by adopting the discrete and low-dimensional control that they afford. Copyright © 2015 the authors 0270-6474/15/3512615-10$15.00/0.
Quantum Dynamics with Short-Time Trajectories and Minimal Adaptive Basis Sets.

PubMed

Saller, Maximilian A C; Habershon, Scott

2017-07-11

Methods for solving the time-dependent Schrödinger equation via basis set expansion of the wave function can generally be categorized as having either static (time-independent) or dynamic (time-dependent) basis functions. We have recently introduced an alternative simulation approach which represents a middle road between these two extremes, employing dynamic (classical-like) trajectories to create a static basis set of Gaussian wavepackets in regions of phase-space relevant to future propagation of the wave function [J. Chem. Theory Comput., 11, 8 (2015)]. Here, we propose and test a modification of our methodology which aims to reduce the size of basis sets generated in our original scheme. In particular, we employ short-time classical trajectories to continuously generate new basis functions for short-time quantum propagation of the wave function; to avoid the continued growth of the basis set describing the time-dependent wave function, we employ Matching Pursuit to periodically minimize the number of basis functions required to accurately describe the wave function. Overall, this approach generates a basis set which is adapted to evolution of the wave function while also being as small as possible. In applications to challenging benchmark problems, namely a 4-dimensional model of photoexcited pyrazine and three different double-well tunnelling problems, we find that our new scheme enables accurate wave function propagation with basis sets which are around an order-of-magnitude smaller than our original trajectory-guided basis set methodology, highlighting the benefits of adaptive strategies for wave function propagation.
Polarization functions for the modified m6-31G basis sets for atoms Ga through Kr.

PubMed

Mitin, Alexander V

2013-09-05

The 2df polarization functions for the modified m6-31G basis sets of the third-row atoms Ga through Kr (Int J Quantum Chem, 2007, 107, 3028; Int J. Quantum Chem, 2009, 109, 1158) are proposed. The performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets were examined in molecular calculations carried out by the density functional theory (DFT) method with B3LYP hybrid functional, Møller-Plesset perturbation theory of the second order (MP2), quadratic configuration interaction method with single and double substitutions and were compared with those for the known 6-31G basis sets as well as with the other similar 641 and 6-311G basis sets with and without polarization functions. Obtained results have shown that the performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets are better in comparison with the performances of the known 6-31G, 6-31G(d,p) and 6-31G(2df,p) basis sets. These improvements are mainly reached due to better approximations of different electrons belonging to the different atomic shells in the modified basis sets. Applicability of the modified basis sets in thermochemical calculations is also discussed. © 2013 Wiley Periodicals, Inc.
Tentaculate Fossils from the Cambrian of Canada (British Columbia) and China (Yunnan) Interpreted as Primitive Deuterostomes

PubMed Central

Caron, Jean-Bernard; Conway Morris, Simon; Shu, Degan

2010-01-01

Molecular and morphological evidence unite the hemichordates and echinoderms as the Ambulacraria, but their earliest history remains almost entirely conjectural. This is on account of the morphological disparity of the ambulacrarians and a paucity of obvious stem-groups. We describe here a new taxon Herpetogaster collinsi gen. et sp. nov. from the Burgess Shale (Middle Cambrian) Lagerstätte. This soft-bodied vermiform animal has a pair of elongate dendritic oral tentacles, a flexible stolon with an attachment disc, and a re-curved trunk with at least 13 segments that is directed dextrally. A differentiated but un-looped gut is enclosed in a sac suspended by mesenteries. It consists of a short pharynx, a conspicuous lenticular stomach, followed by a narrow intestine sub-equal in length. This new taxon, together with the Lower Cambrian Phlogites and more intriguingly the hitherto enigmatic discoidal eldoniids (Cambrian-Devonian), form a distinctive clade (herein the cambroernids). Although one hypothesis of their relationships would look to the lophotrochozoans (specifically the entoprocts), we suggest that the evidence is more consistent with their being primitive deuterostomes, with specific comparisons being made to the pterobranch hemichordates and pre-radial echinoderms. On this basis some of the earliest ambulacrarians are interpreted as soft-bodied animals with a muscular stalk, and possessing prominent tentacles. PMID:20221405
ARCGRAPH SYSTEM - AMES RESEARCH GRAPHICS SYSTEM

NASA Technical Reports Server (NTRS)

Hibbard, E. A.

1994-01-01

Ames Research Graphics System, ARCGRAPH, is a collection of libraries and utilities which assist researchers in generating, manipulating, and visualizing graphical data. In addition, ARCGRAPH defines a metafile format that contains device independent graphical data. This file format is used with various computer graphics manipulation and animation packages at Ames, including SURF (COSMIC Program ARC-12381) and GAS (COSMIC Program ARC-12379). In its full configuration, the ARCGRAPH system consists of a two stage pipeline which may be used to output graphical primitives. Stage one is associated with the graphical primitives (i.e. moves, draws, color, etc.) along with the creation and manipulation of the metafiles. Five distinct data filters make up stage one. They are: 1) PLO which handles all 2D vector primitives, 2) POL which handles all 3D polygonal primitives, 3) RAS which handles all 2D raster primitives, 4) VEC which handles all 3D raster primitives, and 5) PO2 which handles all 2D polygonal primitives. Stage two is associated with the process of displaying graphical primitives on a device. To generate the various graphical primitives, create and reprocess ARCGRAPH metafiles, and access the device drivers in the VDI (Video Device Interface) library, users link their applications to ARCGRAPH's GRAFIX library routines. Both FORTRAN and C language versions of the GRAFIX and VDI libraries exist for enhanced portability within these respective programming environments. The ARCGRAPH libraries were developed on a VAX running VMS. Minor documented modification of various routines, however, allows the system to run on the following computers: Cray X-MP running COS (no C version); Cray 2 running UNICOS; DEC VAX running BSD 4.3 UNIX, or Ultrix; SGI IRIS Turbo running GL2-W3.5 and GL2-W3.6; Convex C1 running UNIX; Amhdahl 5840 running UTS; Alliant FX8 running UNIX; Sun 3/160 running UNIX (no native device driver); Stellar GS1000 running Stellex (no native device driver); and an SGI IRIS 4D running IRIX (no native device driver). Currently with version 7.0 of ARCGRAPH, the VDI library supports the following output devices: A VT100 terminal with a RETRO-GRAPHICS board installed, a VT240 using the Tektronix 4010 emulation capability, an SGI IRIS turbo using the native GL2 library, a Tektronix 4010, a Tektronix 4105, and the Tektronix 4014. ARCGRAPH version 7.0 was developed in 1988.

PRIMitive Asteroids Spectroscopic Survey - PRIMASS: First Results

NASA Astrophysics Data System (ADS)

de Leon, Julia; Pinilla-Alonso, Noemi; Campins, Humberto; Lorenzi, Vania; Licandro, Javier; Morate, David; Tanga, Paolo; Cellino, Alberto; Delbo, Marco

2015-11-01

NASA OSIRIS-REx and JAXA Hayabusa 2 sample-return missions have targeted two near-Earth asteroids: (101955) Bennu and (162173) 1999 JU3, respectively. These are primitive asteroids that are believed to originate in the inner belt, where five distinct sources have been identified: four primitive collisional families (Polana, Erigone, Sulamitis, and Clarissa), and a population of low-albedo and low-inclination background asteroids. Identifying and characterizing the populations from which these two NEAs might originate will enchance the science return of the two missions.With this main objective in mind, we initiated in 2010 a spectroscopic survey in the visible and the near-infrared to characterize the primitive collisional families in the inner belt and the low-albedo background population. This is the PRIMitive Asteroids Spectroscopic Survey - PRIMASS. So far we have obtained more than 200 spectra using telescopes located at different observatories. PRIMASS uses a variety of ground based facilities. Most of the spectra have been obtained using the 10.4m Gran Telescopio Canarias (GTC), and the 3.6m Telescopio Nazionale Galileo (TNG), both located at the El Roque de los Muchachos Observatory (La Palma, Spain), and the 3.0m NASA Infrared Telescope Facility on Mauna Kea (Hawai, USA).We present the first results from our on-going survey (de Leon et al. 2015; Pinilla-Alonso et al. 2015; Morate et al. 2015), focused on the Polana and the Erigone primitive families, with visible and near-infrared spectra of more than 200 objects, most of them with no previous spectroscopic data. Our survey is already the largest database of primitive asteroids spectra, and we keep obtaining data on the Sulamitis and the Clarissa families, as well as on the background low-albedo population.
Friend of GATA (FOG) Interacts with the Nucleosome Remodeling and Deacetylase Complex (NuRD) to Support Primitive Erythropoiesis in Xenopus laevis

PubMed Central

Mimoto, Mizuho S.; Christian, Jan L.

2012-01-01

Friend of GATA (FOG) plays many diverse roles in adult and embryonic hematopoiesis, however the mechanisms by which it functions and the roles of potential interaction partners are not completely understood. Previous work has shown that overexpression of FOG in Xenopus laevis causes loss of blood suggesting that in contrast to its role in mammals, FOG might normally function to repress erythropoiesis in this species. Using loss-of-function analysis, we demonstrate that FOG is essential to support primitive red blood cell (RBC) development in Xenopus. Moreover, we show that it is specifically required to prevent excess apoptosis of circulating primitive RBCs and that in the absence of FOG, the pro-apoptotic gene Bim-1 is strongly upregulated. To identify domains of FOG that are essential for blood development and, conversely, to begin to understand the mechanism by which overexpressed FOG represses primitive erythropoiesis, we asked whether FOG mutants that are unable to interact with known co-factors retain their ability to rescue blood formation in FOG morphants and whether they repress erythropoiesis when overexpressed in wild type embryos. We find that interaction of FOG with the Nucleosome Remodeling and Deacetylase complex (NuRD), but not with C-terminal Binding Protein, is essential for normal primitive RBC development. In contrast, overexpression of all mutant and wild type constructs causes a comparable repression of primitive erythropoiesis. Together, our data suggest that a requirement for FOG and its interaction with NuRD during primitive erythropoiesis are conserved in Xenopus and that loss of blood upon FOG overexpression is due to a dominant-interfering effect. PMID:22235346
Quantum correlations are weaved by the spinors of the Euclidean primitives

PubMed Central

2018-01-01

The exceptional Lie group E8 plays a prominent role in both mathematics and theoretical physics. It is the largest symmetry group associated with the most general possible normed division algebra, namely, that of the non-associative real octonions, which—thanks to their non-associativity—form the only possible closed set of spinors (or rotors) that can parallelize the 7-sphere. By contrast, here we show how a similar 7-sphere also arises naturally from the algebraic interplay of the graded Euclidean primitives, such as points, lines, planes and volumes, which characterize the three-dimensional conformal geometry of the ambient physical space, set within its eight-dimensional Clifford-algebraic representation. Remarkably, the resulting algebra remains associative, and allows us to understand the origins and strengths of all quantum correlations locally, in terms of the geometry of the compactified physical space, namely, that of a quaternionic 3-sphere, S3, with S7 being its algebraic representation space. Every quantum correlation can thus be understood as a correlation among a set of points of this S7, computed using manifestly local spinors within S3, thereby extending the stringent bounds of ±2 set by Bell inequalities to the bounds of ±22 on the strengths of all possible strong correlations, in the same quantitatively precise manner as that predicted within quantum mechanics. The resulting geometrical framework thus overcomes Bell’s theorem by producing a strictly deterministic and realistic framework that allows a locally causal understanding of all quantum correlations, without requiring either remote contextuality or backward causation. We demonstrate this by first proving a general theorem concerning the geometrical origins of the correlations predicted by arbitrarily entangled quantum states, and then reproducing the correlations predicted by the EPR-Bohm and the GHZ states. The raison d’être of strong correlations turns out to be the Möbius-like twists in the Hopf bundles of S3 and S7. PMID:29893385
UNCOMPAHGRE PRIMITIVE AREA, COLORADO.

USGS Publications Warehouse

Luedke, R.G.; Sheridan, M.J.

1984-01-01

A mineral-resource study was made of that part of the Uncompahgre National Forest, Colorado constituting the officially designated primitive area. Because the primitive area and its southern border zone contained operating mines producing gold, silver, copper, lead, zinc, and minor amounts of a few other metals, and had been a part of a highly productive mining region, the area was concluded to have large segments of both probable and substantiated mineral-resource potential. No energy resources were identified in the study.
Primitive myxoid mesenchymal tumor of infancy in a preterm infant.

PubMed

Lam, Joseph; Lara-Corrales, Irene; Cammisuli, Salvatore; Somers, Gino R; Pope, Elena

2010-01-01

Primitive myxoid mesenchymal tumor of infancy is a recently recognized entity that has been added to the differential diagnosis of myxoid tumors of the soft tissue. Few cases have been reported of this entity in the literature, but none presenting in a preterm infant. We present the case and clinical course of a preterm boy with a primitive myxoid mesenchymal tumor of infancy that occurred following excision of a congenital juvenile xanthogranuloma. © 2010 Wiley Periodicals, Inc.
HIGH UINTAS PRIMITIVE AREA, UTAH.

USGS Publications Warehouse

Crittenden, Max D.; Sheridan, Michael J.

1984-01-01

Mineral surveys in the High Uintas Primitive Area, Utah and the additions subsequently proposed concluded that the area has little promise for mineral resources. Of the areas around the fringes, a strip along the north flank fault can be classed as having probable energy-resource potential for oil and gas. The oil and gas potential could be tested by additional seismic studies followed by drilling. Much of the necessary information probably could be obtained without drilling within the primitive area itself.
Intrapartum Synthetic Oxytocin Reduce the Expression of Primitive Reflexes Associated with Breastfeeding

PubMed Central

Olza Fernández, Ibone; Malalana Martínez, Ana M.; González Armengod, Carmen; Costarelli, Valeria; Millán Santos, Isabel; Fernández-Cañadas Morillo, Aurora; Pérez Riveiro, Pilar; López Sánchez, Francisco; García Murillo, Lourdes

2015-01-01

Abstract Aim: Several synthetic peptide manipulations during the time surrounding birth can alter the specific neurohormonal status in the newborn brain. This study is aimed at assessing whether intrapartum oxytocin administration has any effect on primitive neonatal reflexes and determining whether such an effect is dose-dependent. Materials and Methods: A cohort prospective study was conducted at a tertiary hospital. Mother–infant dyads who received intrapartum oxytocin (n=53) were compared with mother–infant dyads who did not receive intrapartum oxytocin (n=45). Primitive neonatal reflexes (endogenous, antigravity, motor, and rhythmic reflexes) were quantified by analyzing videotaped breastfeeding sessions in a biological nurturing position. Two observers blind to the group assignment and the oxytocin dose analyzed the videotapes and assesed the newborn's state of consciousness according to the Brazelton scale. Results: The release of all rhythmic reflexes (p=0.01), the antigravity reflex (p=0.04), and total primitive neonatal reflexes (p=0.02) in the group exposed to oxytocin was lower than in the group not exposed to oxytocin. No correlations were observed between the dose of oxytocin administered and the percentage of primitive neonatal reflexes released (r=0.03; p=0.82). Conclusions: Intrapartum oxytocin administration might inhibit the expression of several primitive neonatal reflexes associated with breastfeeding. This correlation does not seem to be dose-dependent. PMID:25785487
A Subset of Host B-Lymphocytes Control Melanoma Metastasis Through a MCAM/MUC18-dependent Interaction: Evidence from Mice and Humans

PubMed Central

Staquicini, Fernanda I.; Tandle, Anita; Libutti, Steven K.; Sun, Jessica; Zigler, Maya; Bar-Eli, Menashe; Aliperti, Fabiana; Pérez, Elizabeth C.; Gershenwald, Jeffrey E.; Mariano, Mario; Pasqualini, Renata; Arap, Wadih; Lopes, José D.

2008-01-01

Host immunity affects tumor metastasis but the corresponding cellular and molecular mechanisms are not entirely clear. Here we show that a subset of B-lymphocytes (termed B-1 population) -- but not other lymphocytes -- have pro-metastatic effects on melanoma cells in vivo through a direct heterotypic cell-cell interaction. In the classic B16 mouse melanoma model, one mechanism underlying this phenomenon is a specific upregulation and subsequent homophilic interaction mediated by the cell surface glycoprotein MUC18 (also known as melanoma cell adhesion molecule; MCAM). Presence of B-1 lymphocytes in a panel of tumor samples from melanoma patients directly correlates with MUC18 expression in melanoma cells, indicating that the same protein interaction exists in humans. These results suggest a new but as yet unrecognized functional role for host B-1 lymphocytes in tumor metastasis and establish a biochemical basis for such observations. Our findings support the counterintuitive central hypothesis in which a primitive layer of the immune system actually contributes to tumor progression and metastasis in a mouse model and in melanoma patients. Given that monoclonal antibodies against MUC18 are in pre-clinical development but the reason for their anti-tumor activity is not well understood, these translational results are relevant in the setting of human melanoma, and perhaps of other cancers. PMID:18922915
Approaching the basis set limit for DFT calculations using an environment-adapted minimal basis with perturbation theory: Formulation, proof of concept, and a pilot implementation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mao, Yuezhi; Horn, Paul R.; Mardirossian, Narbe

2016-07-28

Recently developed density functionals have good accuracy for both thermochemistry (TC) and non-covalent interactions (NC) if very large atomic orbital basis sets are used. To approach the basis set limit with potentially lower computational cost, a new self-consistent field (SCF) scheme is presented that employs minimal adaptive basis (MAB) functions. The MAB functions are optimized on each atomic site by minimizing a surrogate function. High accuracy is obtained by applying a perturbative correction (PC) to the MAB calculation, similar to dual basis approaches. Compared to exact SCF results, using this MAB-SCF (PC) approach with the same large target basis set producesmore » <0.15 kcal/mol root-mean-square deviations for most of the tested TC datasets, and <0.1 kcal/mol for most of the NC datasets. The performance of density functionals near the basis set limit can be even better reproduced. With further improvement to its implementation, MAB-SCF (PC) is a promising lower-cost substitute for conventional large-basis calculations as a method to approach the basis set limit of modern density functionals.« less
Essential roles for Cdx in murine primitive hematopoiesis.

PubMed

Brooke-Bisschop, Travis; Savory, Joanne G A; Foley, Tanya; Ringuette, Randy; Lohnes, David

2017-02-15

The Cdx transcription factors play essential roles in primitive hematopoiesis in the zebrafish where they exert their effects, in part, through regulation of hox genes. Defects in hematopoiesis have also been reported in Cdx mutant murine embryonic stem cell models, however, to date no mouse model reflecting the zebrafish Cdx mutant hematopoietic phenotype has been described. This is likely due, in part, to functional redundancy among Cdx members and the early lethality of Cdx2 null mutants. To circumvent these limitations, we used Cre-mediated conditional deletion to assess the impact of concomitant loss of Cdx1 and Cdx2 on murine primitive hematopoiesis. We found that Cdx1/Cdx2 double mutants exhibited defects in primitive hematopoiesis and yolk sac vasculature concomitant with reduced expression of several genes encoding hematopoietic transcription factors including Scl/Tal1. Chromatin immunoprecipitation analysis revealed that Scl was occupied by Cdx2 in vivo, and Cdx mutant hematopoietic yolk sac differentiation defects could be rescued by expression of exogenous Scl. These findings demonstrate critical roles for Cdx members in murine primitive hematopoiesis upstream of Scl. Copyright © 2017 Elsevier Inc. All rights reserved.
Purification of zebrafish erythrocytes as a means of identifying a novel regulator of haematopoiesis.

PubMed

Kulkeaw, Kasem; Inoue, Tomoko; Ishitani, Tohru; Nakanishi, Yoichi; Zon, Leonard I; Sugiyama, Daisuke

2018-02-01

Zebrafish embryos are useful to study haematopoietic gene function in vertebrates, although lack of antibodies to zebrafish proteins has limited the purification of specific cell populations. Here, we purified primitive zebrafish erythrocytes using 1, 5-bis{[2-(di-methylamino)ethyl]amino}-4, 8-dihydroxyanthracene-9, 10-dione (DRAQ5 TM ), a DNA-staining fluorescent dye. At 48-h post-fertilization, we sorted small-sized cells from embryos using forward scatter and found that they consisted of DRAQ5 high and DRAQ5 low populations. DRAQ5 high cells contained haemoglobin, lacked myeloperoxidase activity and expressed high levels of embryonic globin (hbae3 and hbbe1.1) mRNA, all characteristics of primitive erythrocytes. Following DRAQ5 TM analysis of gata1:dsRed transgenic embryos, we purified primitive DRAQ5 high dsRed+ erythrocytes from haematopoietic progenitor cells. Using this method, we identified docking protein 2 (Dok2) as functioning in differentiation of primitive erythrocytes. We conclude that DRAQ5 TM -based flow cytometry enables purification of primitive zebrafish erythrocytes. © 2017 John Wiley & Sons Ltd.
A subjective study and an objective metric to quantify the granularity level of textures

NASA Astrophysics Data System (ADS)

Subedar, Mahesh M.; Karam, Lina J.

2015-03-01

Texture granularity is an important visual characteristic that is useful in a variety of applications, including analysis, recognition, and compression, to name a few. A texture granularity measure can be used to quantify the perceived level of texture granularity. The granularity level of the textures is influenced by the size of the texture primitives. A primitive is defined as the smallest recognizable repetitive object in the texture. If the texture has large primitives then the perceived granularity level tends to be lower as compared to a texture with smaller primitives. In this work we are presenting a texture granularity database referred as GranTEX which consists of 30 textures with varying levels of primitive sizes and granularity levels. The GranTEX database consists of both natural and man-made textures. A subjective study is conducted to measure the perceived granularity level of textures present in the GranTEX database. An objective metric that automatically measures the perceived granularity level of textures is also presented as part of this work. It is shown that the proposed granularity metric correlates well with the subjective granularity scores.
Primitive erythropoiesis is regulated by miR-126 via nonhematopoietic Vcam-1+ cells.

PubMed

Sturgeon, Christopher M; Chicha, Laurie; Ditadi, Andrea; Zhou, Qinbo; McGrath, Kathleen E; Palis, James; Hammond, Scott M; Wang, Shusheng; Olson, Eric N; Keller, Gordon

2012-07-17

Primitive erythropoiesis defines the onset of hematopoiesis in the yolk sac of the early embryo and is initiated by the emergence of progenitors assayed as colony-forming cells (EryP-CFCs). EryP-CFCs are detected for only a narrow window during embryonic development, suggesting that both their initiation and termination are tightly controlled. Using the embryonic stem differentiation system to model primitive erythropoiesis, we found that miR-126 regulates the termination of EryP-CFC development. Analyses of miR-126 null embryos revealed that this miR also regulates EryP-CFCs in vivo. We identified vascular cell adhesion molecule-1 (Vcam-1) expressed by a mesenchymal cell population as a relevant target of miR-126. Interaction of EryP-CFCs with Vcam-1 accelerated their maturation to ßh1-globin(+) and Ter119(+) cells through a Src family kinase. These findings uncover a cell nonautonomous regulatory pathway for primitive erythropoiesis that may provide insight into the mechanism(s) controlling the developmental switch from primitive to definitive hematopoiesis. Copyright © 2012 Elsevier Inc. All rights reserved.
Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures.

PubMed

Papior, Nick R; Calogero, Gaetano; Brandbyge, Mads

2018-06-27

We present a simple way to describe the lowest unoccupied diffuse states in carbon nanostructures in density functional theory calculations using a minimal LCAO (linear combination of atomic orbitals) basis set. By comparing plane wave basis calculations, we show how these states can be captured by adding long-range orbitals to the standard LCAO basis sets for the extreme cases of planar sp 2 (graphene) and curved carbon (C 60 ). In particular, using Bessel functions with a long range as additional basis functions retain a minimal basis size. This provides a smaller and simpler atom-centered basis set compared to the standard pseudo-atomic orbitals (PAOs) with multiple polarization orbitals or by adding non-atom-centered states to the basis.
Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures

NASA Astrophysics Data System (ADS)

Papior, Nick R.; Calogero, Gaetano; Brandbyge, Mads

2018-06-01

We present a simple way to describe the lowest unoccupied diffuse states in carbon nanostructures in density functional theory calculations using a minimal LCAO (linear combination of atomic orbitals) basis set. By comparing plane wave basis calculations, we show how these states can be captured by adding long-range orbitals to the standard LCAO basis sets for the extreme cases of planar sp 2 (graphene) and curved carbon (C60). In particular, using Bessel functions with a long range as additional basis functions retain a minimal basis size. This provides a smaller and simpler atom-centered basis set compared to the standard pseudo-atomic orbitals (PAOs) with multiple polarization orbitals or by adding non-atom-centered states to the basis.
Primitive African Medical Lore and Witchcraft *

PubMed Central

Thompson, Ethel E.

1965-01-01

This article presents a comprehensive study of the methods, practices, equipment, and paraphernalia of African witch doctors in carrying out primitive medical practices. The chief tribes studied are the Azandes of the Sudan, the Manos of Liberia, the Congo tribes, the Bundas of Angola, and the Zulus and other Bantu tribes of South Africa. Primitive beliefs and customs are discussed only insofar as they have a direct bearing on medical practices. The medical practices considered deal mainly with the application of general remedies for ailments and diseases, but certain specialized fields such as obstetrics, surgery, treatment for fractures, and dentistry are also included. Primitive medicaments are presented with reference to their application for various illnesses. An alphabetical list of these medicaments is given at the end of the article. PMID:14223742
Carotid-vertebrobasilar Anastomoses with Reference to Their Segmental Property.

PubMed

Namba, Katsunari

2017-06-15

The primitive carotid-vertebrobasilar anastomoses are primitive embryonic cerebral vessels that temporarily provide arterial supply from the internal carotid artery to the longitudinal neural artery, the future vertebrobasilar artery in the hindbrain. Four types known are the trigeminal, otic, hypoglossal, and proatlantal intersegmental arteries. The arteries are accompanied by their corresponding nerves and resemble an intersegmental pattern. These vessels exist in the very early period of cerebral arterial development and rapidly involute within a week. Occasionally, persistence of the carotid to vertebrobasilar anastomosis is discovered in the adult period, and is considered as the vestige of the corresponding primitive embryonic vessel. The embryonic development and the segmental property of the primitive carotid-vertebrobasilar anastomoses are discussed. This is followed by a brief description of the persisting anastomoses in adults.
Impact of Discrete Corrections in a Modular Approach for Trajectory Generation in Quadruped Robots

NASA Astrophysics Data System (ADS)

Pinto, Carla M. A.; Santos, Cristina P.; Rocha, Diana; Matos, Vítor

2011-09-01

Online generation of trajectories in robots is a very complex task that involves the combination of different types of movements, i.e., distinct motor primitives. The later are used to model complex behaviors in robots, such as locomotion in irregular terrain and obstacle avoidance. In this paper, we consider two motor primitives: rhythmic and discrete. We study the effect on the robots' gaits of superimposing the two motor primitives, considering two distinct types of coupling. Additionally, we simulate two scenarios, where the discrete primitive is inserted in all of the four limbs, or is inserted in ipsilateral pairs of limbs. Numerical results show that amplitude and frequency of the periodic solutions, corresponding to the gaits trot and pace, are almost constant for diffusive and synaptic couplings.
Derivation of a formula for the resonance integral for a nonorthogonal basis set

PubMed Central

Yim, Yung-Chang; Eyring, Henry

1981-01-01

In a self-consistent field calculation, a formula for the off-diagonal matrix elements of the core Hamiltonian is derived for a nonorthogonal basis set by a polyatomic approach. A set of parameters is then introduced for the repulsion integral formula of Mataga-Nishimoto to fit the experimental data. The matrix elements computed for the nonorthogonal basis set in the π-electron approximation are transformed to those for an orthogonal basis set by the Löwdin symmetrical orthogonalization. PMID:16593009
Distributed Computation and TENEX-Related Activities

DTIC Science & Technology

1978-01-01

IPCF) which provides the inter-job communication functions required by MSG. MSG will be modified to use the IPCF primitives when running under TOPS...mmummi iiiwnrnrtnr’in i^WMBi. ■a^j.i.aiAj.k ■*"-’"’’"— •’ ’■■ BBN Report No. 3752 Bolt Beranek and Newman Inc. . . - . *. - primitive (e.g...from a process to MSG when a communication primitive is executed, and from MSG to a process when a pending event (e.g., outstanding receive operation

Primitive ideals of C q [ SL(3)

NASA Astrophysics Data System (ADS)

Hodges, Timothy J.; Levasseur, Thierry

1993-10-01

The primitive ideals of the Hopf algebra C q [ SL(3)] are classified. In particular it is shown that the orbits in Prim C q [ SL(3)] under the action of the representation group H ≅ C *× C * are parameterized naturally by W×W, where W is the associated Weyl group. It is shown that there is a natural one-to-one correspondence between primitive ideals of C q [ SL(3)] and symplectic leaves of the associated Poisson algebraic group SL(3, C).
A comment on methanogenic bacteria and the primitive ecology

NASA Technical Reports Server (NTRS)

Woese, C. R.

1977-01-01

As the phenotype of methanogenic bacteria is suggested to have been one of the major factors creating a dynamic balance between CO2 and CH4 in the primitive atmosphere, these organisms are thought to be very ancient. Their antiquity may be further postulated by comparative characterization of their ribosomal RNA. Accepting this antiquity, it is concluded that a carbon-dioxide-methane cycle, driven by photosynthesis, was the major carbon cycle in primitive ecology, and that photosynthesis and methanogens were thus contemporaneous.
Surface Antigens Common to Mouse Cleavage Embryos and Primitive Teratocarcinoma Cells in Culture

PubMed Central

Artzt, Karen; Dubois, Philippe; Bennett, Dorothea; Condamine, Hubert; Babinet, Charles; Jacob, François

1973-01-01

Syngeneic antisera have been produced in mouse strain 129/Sv-CP males against the primitive cells of teratocarcinoma. These sera react specifically with the primitive cells and are negative on various types of differentiated teratoma cells derived from the same original tumor. They are negative on all other mouse cells tested, with the exception of male germ cells and cleavage-stage embryos. Thus, teratoma cells possess cell-surface antigens in common with normal cleavage-stage embryos. Images PMID:4355379
DOE Office of Scientific and Technical Information (OSTI.GOV)

Hensel-Bielowka, S; Sangoro, Joshua R; Wojnarowska, S

Broadband dielectric spectroscopy along with a high pressure technique and quantum-mechanical calculations are employed to study in detail the behavior and to reveal the origin of the excess wing (EW) in neat N,N-diethyl-3-methylbenzamide (DEET). Our analysis of dielectric spectra again corroborates the idea that the EW is a hidden b-relaxation peak. Moreover, we found that the position frequency of the b peak corresponds to the position of the primitive relaxation of the Coupling Model. We also studied the possible intramolecular rotations in DEET by means of DFT calculation. On that basis we were able to describe the EW as themore » JG b-relaxation and find the possible origin of the g-relaxation visible in DEET dielectric spectra at very low temperatures.« less
Tick, Tock, Tick, Tock...

NASA Astrophysics Data System (ADS)

Evans, N. W.; Molloy, M.

2014-07-01

The Gaia dataset will require a huge leap forward in terms of modelling of the Milky Way. Two problems are highlighted here. First, models of the Galactic Bar remain primitive as compared to the Galactic Disk and Stellar Halo. Although Schwarzschild and N-body methods are useful, the future belongs to Made-to-Measure (M2M) models which have significant advantages in terms of storage and flexibility. Second, the Milky Way potential will need much better representation than hitherto. Most models still use very simple building blocks (Miyamoto-Nagai disks or Hernquist bulges) and these will not be fit for purpose in the Gaia Era. Expansions in terms of basis functions offer the possibility of incorporating cosmological information as priors, as well as mych greater adaptability.
Characteristics and formation of amino acids and hydroxy acids of the Murchison meteorite

NASA Technical Reports Server (NTRS)

Cronin, J. R.; Cooper, G. W.; Pizzarello, S.

1995-01-01

Eight characteristics of the unique suite of amino acids and hydroxy acids found in the Murchison meteorite can be recognized on the basis of detailed molecular and isotopic analyses. The marked structural correspondence between the alpha-amino acids and alpha-hydroxy acids and the high deuterium/hydrogen ratio argue persuasively for their formation by aqueous phase Strecker reactions in the meteorite parent body from presolar, i.e., interstellar, aldehydes, ketones, ammonia, and hydrogen cyanide. The characteristics of the meteoritic suite of amino acids and hydroxy acids are briefly enumerated and discussed with regard to their consonance with this interstellar-parent body formation hypothesis. The hypothesis has interesting implications for the organic composition of both the primitive parent body and the presolar nebula.
High grade primitive neuroectodermal tumor of the uterus: A case report.

PubMed

Dizon, A Mitch; Kilgore, Larry C; Grindstaff, Alan; Winkler, Marcus; Kimball, Kristopher J

2014-01-01

•Primitive neuroectodermal tumor of the uterus is extremely rare.•Diagnosis requires timely evaluation with molecular analysis.•Different combinations of adjuvant chemotherapy have been reported.
Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energies.

PubMed

Mackie, Iain D; DiLabio, Gino A

2011-10-07

The first-principles calculation of non-covalent (particularly dispersion) interactions between molecules is a considerable challenge. In this work we studied the binding energies for ten small non-covalently bonded dimers with several combinations of correlation methods (MP2, coupled-cluster single double, coupled-cluster single double (triple) (CCSD(T))), correlation-consistent basis sets (aug-cc-pVXZ, X = D, T, Q), two-point complete basis set energy extrapolations, and counterpoise corrections. For this work, complete basis set results were estimated from averaged counterpoise and non-counterpoise-corrected CCSD(T) binding energies obtained from extrapolations with aug-cc-pVQZ and aug-cc-pVTZ basis sets. It is demonstrated that, in almost all cases, binding energies converge more rapidly to the basis set limit by averaging the counterpoise and non-counterpoise corrected values than by using either counterpoise or non-counterpoise methods alone. Examination of the effect of basis set size and electron correlation shows that the triples contribution to the CCSD(T) binding energies is fairly constant with the basis set size, with a slight underestimation with CCSD(T)∕aug-cc-pVDZ compared to the value at the (estimated) complete basis set limit, and that contributions to the binding energies obtained by MP2 generally overestimate the analogous CCSD(T) contributions. Taking these factors together, we conclude that the binding energies for non-covalently bonded systems can be accurately determined using a composite method that combines CCSD(T)∕aug-cc-pVDZ with energy corrections obtained using basis set extrapolated MP2 (utilizing aug-cc-pVQZ and aug-cc-pVTZ basis sets), if all of the components are obtained by averaging the counterpoise and non-counterpoise energies. With such an approach, binding energies for the set of ten dimers are predicted with a mean absolute deviation of 0.02 kcal/mol, a maximum absolute deviation of 0.05 kcal/mol, and a mean percent absolute deviation of only 1.7%, relative to the (estimated) complete basis set CCSD(T) results. Use of this composite approach to an additional set of eight dimers gave binding energies to within 1% of previously published high-level data. It is also shown that binding within parallel and parallel-crossed conformations of naphthalene dimer is predicted by the composite approach to be 9% greater than that previously reported in the literature. The ability of some recently developed dispersion-corrected density-functional theory methods to predict the binding energies of the set of ten small dimers was also examined. © 2011 American Institute of Physics
Primitive macrophages control HSPC mobilization and definitive haematopoiesis.

PubMed

Travnickova, Jana; Tran Chau, Vanessa; Julien, Emmanuelle; Mateos-Langerak, Julio; Gonzalez, Catherine; Lelièvre, Etienne; Lutfalla, Georges; Tavian, Manuela; Kissa, Karima

2015-02-17

In vertebrates, haematopoietic stem/progenitor cells (HSPCs) first emerge in the aorta-gonad-mesonephros (AGM) before colonizing transitory and subsequently definitive haematopoietic organs allowing haematopoiesis throughout adult life. Here we identify an unexpected primitive macrophage population accumulated in the dorsal mesenteric mesoderm surrounding the dorsal aorta of the human embryo and study its function in the transparent zebrafish embryo. Our study reveals dynamic interactions occurring between the HSPCs and primitive macrophages in the AGM. Specific chemical and inducible genetic depletion of macrophages or inhibition of matrix metalloproteinases (Mmps) leads to an accumulation of HSPCs in the AGM and a decrease in the colonization of haematopoietic organs. Finally, in vivo zymography demonstrates the function of primitive macrophages in extracellular matrix degradation, which allows HSPC migration through the AGM stroma, their intravasation, leading to the colonization of haematopoietic organs and the establishment of definitive haematopoiesis.
Communication: A novel implementation to compute MP2 correlation energies without basis set superposition errors and complete basis set extrapolation.

PubMed

Dixit, Anant; Claudot, Julien; Lebègue, Sébastien; Rocca, Dario

2017-06-07

By using a formulation based on the dynamical polarizability, we propose a novel implementation of second-order Møller-Plesset perturbation (MP2) theory within a plane wave (PW) basis set. Because of the intrinsic properties of PWs, this method is not affected by basis set superposition errors. Additionally, results are converged without relying on complete basis set extrapolation techniques; this is achieved by using the eigenvectors of the static polarizability as an auxiliary basis set to compactly and accurately represent the response functions involved in the MP2 equations. Summations over the large number of virtual states are avoided by using a formalism inspired by density functional perturbation theory, and the Lanczos algorithm is used to include dynamical effects. To demonstrate this method, applications to three weakly interacting dimers are presented.
Modeling and optimum time performance for concurrent processing

NASA Technical Reports Server (NTRS)

Mielke, Roland R.; Stoughton, John W.; Som, Sukhamoy

1988-01-01

The development of a new graph theoretic model for describing the relation between a decomposed algorithm and its execution in a data flow environment is presented. Called ATAMM, the model consists of a set of Petri net marked graphs useful for representing decision-free algorithms having large-grained, computationally complex primitive operations. Performance time measures which determine computing speed and throughput capacity are defined, and the ATAMM model is used to develop lower bounds for these times. A concurrent processing operating strategy for achieving optimum time performance is presented and illustrated by example.
Analysis of a Decision Support System for CASE Tool Selection and the Specification of an Ada to SQL Abstract Interface

DTIC Science & Technology

1991-12-01

34 foreign keys" ,which are keys inherited from conlected entities, the keys would already be defined in the connected entity’s domain primiti le definition...defined for the rootnode re!ationship because all attributes are foreign keys and they are already defined in the connected entities domain primitive...can exchange data with other tools including other tools in the tool vendor’s tool 99 Upper CASE Tool Charactcrizcs set. The important attributes are
Spin-State-Dependent Ion-Molecule Chemistry as the Origin of N-15 and D Isotopic Anomalies in Primitive Matter.

NASA Technical Reports Server (NTRS)

Wirstrom, E. S.; Charnley, S. B.; Cordiner, M. A.; Milam, S. N.

2012-01-01

Many meteoritic and interplanetary dust particle (IDP) samples contain bulk enhancements and hotspots rich in N-15. Similarly low C(14)N/C(15)N ratios have been observed in numerous comets, An almost constant enrichment factor in comets from disti'nct formation zones in the nebular disk (i.e. both Jupiter Family and Oort Cloud comets), strongly suggests that this fractionation is primordial and was set in the protsolar cloud core. Deuterium enrichment is observed in both meteorites and IDPs
Solid/FEM integration at SNLA

NASA Technical Reports Server (NTRS)

Chavez, Patrick F.

1987-01-01

The effort at Sandia National Labs. on the methodologies and techniques being used to generate strict hexahedral finite element meshes from a solid model is described. The functionality of the modeler is used to decompose the solid into a set of nonintersecting meshable finite element primitives. The description of the decomposition is exported, via a Boundary Representative format, to the meshing program which uses the information for complete finite element model specification. Particular features of the program are discussed in some detail along with future plans for development which includes automation of the decomposition using artificial intelligence techniques.
Choice of Variables and Preconditioning for Time Dependent Problems

NASA Technical Reports Server (NTRS)

Turkel, Eli; Vatsa, Verr N.

2003-01-01

We consider the use of low speed preconditioning for time dependent problems. These are solved using a dual time step approach. We consider the effect of this dual time step on the parameter of the low speed preconditioning. In addition, we compare the use of two sets of variables, conservation and primitive variables, to solve the system. We show the effect of these choices on both the convergence to a steady state and the accuracy of the numerical solutions for low Mach number steady state and time dependent flows.
Efficient conservative ADER schemes based on WENO reconstruction and space-time predictor in primitive variables

NASA Astrophysics Data System (ADS)

Zanotti, Olindo; Dumbser, Michael

2016-01-01

We present a new version of conservative ADER-WENO finite volume schemes, in which both the high order spatial reconstruction as well as the time evolution of the reconstruction polynomials in the local space-time predictor stage are performed in primitive variables, rather than in conserved ones. To obtain a conservative method, the underlying finite volume scheme is still written in terms of the cell averages of the conserved quantities. Therefore, our new approach performs the spatial WENO reconstruction twice: the first WENO reconstruction is carried out on the known cell averages of the conservative variables. The WENO polynomials are then used at the cell centers to compute point values of the conserved variables, which are subsequently converted into point values of the primitive variables. This is the only place where the conversion from conservative to primitive variables is needed in the new scheme. Then, a second WENO reconstruction is performed on the point values of the primitive variables to obtain piecewise high order reconstruction polynomials of the primitive variables. The reconstruction polynomials are subsequently evolved in time with a novel space-time finite element predictor that is directly applied to the governing PDE written in primitive form. The resulting space-time polynomials of the primitive variables can then be directly used as input for the numerical fluxes at the cell boundaries in the underlying conservative finite volume scheme. Hence, the number of necessary conversions from the conserved to the primitive variables is reduced to just one single conversion at each cell center. We have verified the validity of the new approach over a wide range of hyperbolic systems, including the classical Euler equations of gas dynamics, the special relativistic hydrodynamics (RHD) and ideal magnetohydrodynamics (RMHD) equations, as well as the Baer-Nunziato model for compressible two-phase flows. In all cases we have noticed that the new ADER schemes provide less oscillatory solutions when compared to ADER finite volume schemes based on the reconstruction in conserved variables, especially for the RMHD and the Baer-Nunziato equations. For the RHD and RMHD equations, the overall accuracy is improved and the CPU time is reduced by about 25 %. Because of its increased accuracy and due to the reduced computational cost, we recommend to use this version of ADER as the standard one in the relativistic framework. At the end of the paper, the new approach has also been extended to ADER-DG schemes on space-time adaptive grids (AMR).
Correlation consistent valence basis sets for use with the Stuttgart-Dresden-Bonn relativistic effective core potentials: The atoms Ga-Kr and In-Xe

NASA Astrophysics Data System (ADS)

Martin, Jan M. L.; Sundermann, Andreas

2001-02-01

We propose large-core correlation-consistent (cc) pseudopotential basis sets for the heavy p-block elements Ga-Kr and In-Xe. The basis sets are of cc-pVTZ and cc-pVQZ quality, and have been optimized for use with the large-core (valence-electrons only) Stuttgart-Dresden-Bonn (SDB) relativistic pseudopotentials. Validation calculations on a variety of third-row and fourth-row diatomics suggest them to be comparable in quality to the all-electron cc-pVTZ and cc-pVQZ basis sets for lighter elements. Especially the SDB-cc-pVQZ basis set in conjunction with a core polarization potential (CPP) yields excellent agreement with experiment for compounds of the later heavy p-block elements. For accurate calculations on Ga (and, to a lesser extent, Ge) compounds, explicit treatment of 13 valence electrons appears to be desirable, while it seems inevitable for In compounds. For Ga and Ge, we propose correlation consistent basis sets extended for (3d) correlation. For accurate calculations on organometallic complexes of interest to homogenous catalysis, we recommend a combination of the standard cc-pVTZ basis set for first- and second-row elements, the presently derived SDB-cc-pVTZ basis set for heavier p-block elements, and for transition metals, the small-core [6s5p3d] Stuttgart-Dresden basis set-relativistic effective core potential combination supplemented by (2f1g) functions with exponents given in the Appendix to the present paper.
Tholeiitic basalt magmatism of Kilauea and Mauna Loa volcanoes of Hawaii

USGS Publications Warehouse

Murata, K.J.

1970-01-01

The primitive magmas of Kilauca and Mauna Loa are generated by partial melting of mantle peridotite at depths of -60 km or more. Results of high-pressure melting experiments indicate that the primitive melt must contain at least 20% MgO in order to have olivine as a liquidus mineral. The least fractionated lavas of both volcanoes have olivine (Fa13) on the liquidus at 1 atmosphere, suggesting that the only substance lost from the primitive melt, during a rather rapid ascent to the surface, is olivine. This relation allows the primitive composition to be computed by adding olivine to the composition of an erupted lava until total MgO is at least 20 percent. Although roughly similar, historic lavas of the two volcanoes show a consistent difference in composition. The primitive melt of Mauna Loa contains 20% more dissolved orthopyroxene, a high-temperature melting phase in the mantle, and is deficient in elements such as potassium, uranium, and niobium, which presumably occur in minor low-melting phases. Mauna Loa appears to be the older volcano, deriving its magma at higher temperature and greater depth from a more depleted source rock. ?? 1970 Springer-Verlag.
Compositional study of asteroids in the Erigone collisional family using visible spectroscopy at the 10.4 m GTC

NASA Astrophysics Data System (ADS)

Morate, David; de León, Julia; De Prá, Mário; Licandro, Javier; Cabrera-Lavers, Antonio; Campins, Humberto; Pinilla-Alonso, Noemí; Alí-Lagoa, Víctor

2016-02-01

Two primitive near-Earth asteroids, (101955) Bennu and (162173) Ryugu, will be visited by a spacecraft with the aim of returning samples back to Earth. Since these objects are believed to originate in the inner main belt primitive collisional families (Erigone, Polana, Clarissa, and Sulamitis) or in the background of asteroids outside these families, the characterization of these primitive populations will enhance the scientific return of the missions. The main goal of this work is to shed light on the composition of the Erigone collisional family by means of visible spectroscopy. Asteroid (163) Erigone has been classified as a primitive object, and we expect the members of this family to be consistent with the spectral type of the parent body. We have obtained visible spectra (0.5-0.9 μm) for 101 members of the Erigone family, using the OSIRIS instrument at the 10.4 m Gran Telescopio Canarias. We found that 87% of the objects have typically primitive visible spectra consistent with that of (163) Erigone. In addition, we found that a significant fraction of these objects (~50%) present evidence of aqueous alteration.
Developmental Approach for Behavior Learning Using Primitive Motion Skills.

PubMed

Dawood, Farhan; Loo, Chu Kiong

2018-05-01

Imitation learning through self-exploration is essential in developing sensorimotor skills. Most developmental theories emphasize that social interactions, especially understanding of observed actions, could be first achieved through imitation, yet the discussion on the origin of primitive imitative abilities is often neglected, referring instead to the possibility of its innateness. This paper presents a developmental model of imitation learning based on the hypothesis that humanoid robot acquires imitative abilities as induced by sensorimotor associative learning through self-exploration. In designing such learning system, several key issues will be addressed: automatic segmentation of the observed actions into motion primitives using raw images acquired from the camera without requiring any kinematic model; incremental learning of spatio-temporal motion sequences to dynamically generates a topological structure in a self-stabilizing manner; organization of the learned data for easy and efficient retrieval using a dynamic associative memory; and utilizing segmented motion primitives to generate complex behavior by the combining these motion primitives. In our experiment, the self-posture is acquired through observing the image of its own body posture while performing the action in front of a mirror through body babbling. The complete architecture was evaluated by simulation and real robot experiments performed on DARwIn-OP humanoid robot.

Capture, Learning, and Classification of Upper Extremity Movement Primitives in Healthy Controls and Stroke Patients

PubMed Central

Guerra, Jorge; Uddin, Jasim; Nilsen, Dawn; Mclnerney, James; Fadoo, Ammarah; Omofuma, Isirame B.; Hughes, Shatif; Agrawal, Sunil; Allen, Peter; Schambra, Heidi M.

2017-01-01

There currently exist no practical tools to identify functional movements in the upper extremities (UEs). This absence has limited the precise therapeutic dosing of patients recovering from stroke. In this proof-of-principle study, we aimed to develop an accurate approach for classifying UE functional movement primitives, which comprise functional movements. Data were generated from inertial measurement units (IMUs) placed on upper body segments of older healthy individuals and chronic stroke patients. Subjects performed activities commonly trained during rehabilitation after stroke. Data processing involved the use of a sliding window to obtain statistical descriptors, and resulting features were processed by a Hidden Markov Model (HMM). The likelihoods of the states, resulting from the HMM, were segmented by a second sliding window and their averages were calculated. The final predictions were mapped to human functional movement primitives using a Logistic Regression algorithm. Algorithm performance was assessed with a leave-one-out analysis, which determined its sensitivity, specificity, and positive and negative predictive values for all classified primitives. In healthy control and stroke participants, our approach identified functional movement primitives embedded in training activities with, on average, 80% precision. This approach may support functional movement dosing in stroke rehabilitation. PMID:28813877
Hybrid Grid and Basis Set Approach to Quantum Chemistry DMRG

NASA Astrophysics Data System (ADS)

Stoudenmire, Edwin Miles; White, Steven

We present a new approach for using DMRG for quantum chemistry that combines the advantages of a basis set with that of a grid approximation. Because DMRG scales linearly for quasi-one-dimensional systems, it is feasible to approximate the continuum with a fine grid in one direction while using a standard basis set approach for the transverse directions. Compared to standard basis set methods, we reach larger systems and achieve better scaling when approaching the basis set limit. The flexibility and reduced costs of our approach even make it feasible to incoporate advanced DMRG techniques such as simulating real-time dynamics. Supported by the Simons Collaboration on the Many-Electron Problem.
Therapeutic Trial for Patients With Ewing Sarcoma Family of Tumor and Desmoplastic Small Round Cell Tumors

ClinicalTrials.gov

2017-09-18

Desmoplastic Small Round Cell Tumor; Ewing Sarcoma of Bone or Soft Tissue; Localized Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor; Metastatic Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor
Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.

PubMed

Khvostichenko, Daria; Choi, Andrew; Boulatov, Roman

2008-04-24

We investigated the effect of several computational variables, including the choice of the basis set, application of symmetry constraints, and zero-point energy (ZPE) corrections, on the structural parameters and predicted ground electronic state of model 5-coordinate hemes (iron(II) porphines axially coordinated by a single imidazole or 2-methylimidazole). We studied the performance of B3LYP and B3PW91 with eight Pople-style basis sets (up to 6-311+G*) and B97-1, OLYP, and TPSS functionals with 6-31G and 6-31G* basis sets. Only hybrid functionals B3LYP, B3PW91, and B97-1 reproduced the quintet ground state of the model hemes. With a given functional, the choice of the basis set caused up to 2.7 kcal/mol variation of the quintet-triplet electronic energy gap (DeltaEel), in several cases, resulting in the inversion of the sign of DeltaEel. Single-point energy calculations with triple-zeta basis sets of the Pople (up to 6-311G++(2d,2p)), Ahlrichs (TZVP and TZVPP), and Dunning (cc-pVTZ) families showed the same trend. The zero-point energy of the quintet state was approximately 1 kcal/mol lower than that of the triplet, and accounting for ZPE corrections was crucial for establishing the ground state if the electronic energy of the triplet state was approximately 1 kcal/mol less than that of the quintet. Within a given model chemistry, effects of symmetry constraints and of a "tense" structure of the iron porphine fragment coordinated to 2-methylimidazole on DeltaEel were limited to 0.3 kcal/mol. For both model hemes the best agreement with crystallographic structural data was achieved with small 6-31G and 6-31G* basis sets. Deviation of the computed frequency of the Fe-Im stretching mode from the experimental value with the basis set decreased in the order: nonaugmented basis sets, basis sets with polarization functions, and basis sets with polarization and diffuse functions. Contraction of Pople-style basis sets (double-zeta or triple-zeta) affected the results insignificantly for iron(II) porphyrin coordinated with imidazole. Poor performance of a "locally dense" basis set with a large number of basis functions on the Fe center was observed in calculation of quintet-triplet gaps. Our results lead to a series of suggestions for density functional theory calculations of quintet-triplet energy gaps in ferrohemes with a single axial imidazole; these suggestions are potentially applicable for other transition-metal complexes.
On the Primitive Ideal spaces of the C(*) -algebras of graphs

NASA Astrophysics Data System (ADS)

Bates, Teresa

2005-11-01

We characterise the topological spaces which arise as the primitive ideal spaces of the Cuntz-Krieger algebras of graphs satisfying condition (K): directed graphs in which every vertex lying on a loop lies on at least two loops. We deduce that the spaces which arise as Prim;C(*(E)) are precisely the spaces which arise as the primitive ideal spaces of AF-algebras. Finally, we construct a graph wt{E} from E such that C(*(wt{E})) is an AF-algebra and Prim;C(*(E)) and Prim;C(*(wt{E})) are homeomorphic.
Chemical evolution of primitive solar system bodies

NASA Technical Reports Server (NTRS)

Oro, J.; Mills, T.

1989-01-01

Observations on organic molecules and compounds containing biogenic elements in the interstellar medium and in the primitive bodies of the solar system are reviewed. The discovery of phosphorus molecular species in dense interstellar clouds, the existence of organic ions in the dust and gas phase of the comas of Comet Halley, and the presence of presolar, deuterium-hydrogen ratios in the amino acids of carbonaceous chondrites are discussed. The relationships between comets, dark asteroids, and carbonaceous chondrites are examined. Also, consideration is given to the chemical evolution of Titan, the primitive earth, and early Mars.
Do cybernetics, system science and fuzzy sets share some epistemological problems. I. An analysis of cybernetics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tamburrini, G.; Termini, S.

1982-01-01

The general thesis underlying the present paper is that there are very strong methodological relations among cybernetics, system science, artificial intelligence, fuzzy sets and many other related fields. Then, in order to understand better both the achievements and the weak points of all the previous disciplines, one should look for some common features for looking at them in this general frame. What will be done is to present a brief analysis of the primitive program of cybernetics, presenting it as a case study useful for developing the previous thesis. Among the discussed points are the problems of interdisciplinarity and ofmore » the unity of cybernetics. Some implications of this analysis for a new reading of general system theory and fuzzy sets are briefly outlined at the end of the paper. 3 references.« less
LEGO-MM: LEarning structured model by probabilistic loGic Ontology tree for MultiMedia.

PubMed

Tang, Jinhui; Chang, Shiyu; Qi, Guo-Jun; Tian, Qi; Rui, Yong; Huang, Thomas S

2016-09-22

Recent advances in Multimedia ontology have resulted in a number of concept models, e.g., LSCOM and Mediamill 101, which are accessible and public to other researchers. However, most current research effort still focuses on building new concepts from scratch, very few work explores the appropriate method to construct new concepts upon the existing models already in the warehouse. To address this issue, we propose a new framework in this paper, termed LEGO1-MM, which can seamlessly integrate both the new target training examples and the existing primitive concept models to infer the more complex concept models. LEGOMM treats the primitive concept models as the lego toy to potentially construct an unlimited vocabulary of new concepts. Specifically, we first formulate the logic operations to be the lego connectors to combine existing concept models hierarchically in probabilistic logic ontology trees. Then, we incorporate new target training information simultaneously to efficiently disambiguate the underlying logic tree and correct the error propagation. Extensive experiments are conducted on a large vehicle domain data set from ImageNet. The results demonstrate that LEGO-MM has significantly superior performance over existing state-of-the-art methods, which build new concept models from scratch.
Acute erythremic myelosis (true erythroleukaemia): a variant of AML FAB-M6.

PubMed

Hasserjian, R P; Howard, J; Wood, A; Henry, K; Bain, B

2001-03-01

Classic erythroleukaemia (acute myeloid leukaemia M6, or M6 AML) is defined as an excess of myeloblasts in an erythroid predominant background. Leukaemia variants in which the primitive blast cells are demonstrably erythroid are extremely rare and poorly characterised. Variably referred to as "true erythroleukaemia" or "acute erythremic myelosis", they are often included within the M6 AML category even though they do not meet strict criteria for this type of AML. Two cases of acute erythroid neoplasia are presented with clinical, morphological, immunophenotypic, and cytogenetic analysis. Both patients presented with profound anaemia, one in a setting of long standing myelodysplasia. Bone marrow examination revealed a predominant population of highly dysplastic erythroid cells in both cases. In one case, the liver was infiltrated by neoplastic erythroid cells. Both patients died within four months of diagnosis. This report illustrates that cases of acute leukaemia occur in which the dominant neoplastic cell is a primitive erythroid cell without an accompanying increase in myeloblasts. This does not preclude the neoplastic clone originating in a multipotent haemopoietic stem cell, as suggested by cases arising in patients with myelodysplasia. Acute erythremic myelosis should be recognised as a distinct variant of M6 AML.
Generic extravehicular (EVA) and telerobot task primitives for analysis, design, and integration. Version 1.0: Reference compilation for the EVA and telerobotics communities

NASA Technical Reports Server (NTRS)

Smith, Jeffrey H.; Drews, Michael

1990-01-01

The results are described of an effort to establish commonality and standardization of generic crew extravehicular (crew-EVA) and telerobotic task analysis primitives used for the study of spaceborne operations. Although direct crew-EVA plans are the most visible output of spaceborne operations, significant ongoing efforts by a wide variety of projects and organizations also require tools for estimation of crew-EVA and telerobotic times. Task analysis tools provide estimates for input to technical and cost tradeoff studies. A workshop was convened to identify the issues and needs to establish a common language and syntax for task analysis primitives. In addition, the importance of such a syntax was shown to have precedence over the level to which such a syntax is applied. The syntax, lists of crew-EVA and telerobotic primitives, and the data base in diskette form are presented.
Small Cofactors May Assist Protein Emergence from RNA World: Clues from RNA-Protein Complexes

PubMed Central

Shen, Liang; Ji, Hong-Fang

2011-01-01

It is now widely accepted that at an early stage in the evolution of life an RNA world arose, in which RNAs both served as the genetic material and catalyzed diverse biochemical reactions. Then, proteins have gradually replaced RNAs because of their superior catalytic properties in catalysis over time. Therefore, it is important to investigate how primitive functional proteins emerged from RNA world, which can shed light on the evolutionary pathway of life from RNA world to the modern world. In this work, we proposed that the emergence of most primitive functional proteins are assisted by the early primitive nucleotide cofactors, while only a minority are induced directly by RNAs based on the analysis of RNA-protein complexes. Furthermore, the present findings have significant implication for exploring the composition of primitive RNA, i.e., adenine base as principal building blocks. PMID:21789260
Polycyclic aromatic hydrocarbons - Primitive pigment systems in the prebiotic environment

NASA Technical Reports Server (NTRS)

Deamer, D. W.

1992-01-01

The chemical evolution of meteoritic organics in the primitive earth is examined experimentally with attention given to the photochemical effects of hydrocarbon/water mixtures. Also addressed are the generation of amphiphilic products by photochemical reactions and the transduction of light energy into potentially useful forms. Polycyclic aromatic hydrocarbons (PAHs) absorb light and exist in carbonaceous chondrites; PAHs are therefore examined as primitive pigments by means of salt solutions with pyrene, fluoranthene, and pyrene derivatives with hexadecane. The hexadecane undergoes photochemical oxidation and yields long-chain amphiphiles with oxygen supplied by water, and acid pH shifts also occur. PAHs are also tested in lipid bilayer membranes to examine light-energy transduction. Protons are found to accumulate within the membrane-bounded volume to form proton gradients, and this reaction is theorized to be a good model of primitive photochemical reactions that related to the transduction of light energy into useable forms.
Clay minerals in primitive meteorites and interplanetary dust 1

NASA Technical Reports Server (NTRS)

Zolensky, M. E.; Keller, L. P.

1991-01-01

Many meteorites and interplanetary dust particles (IDPs) with primitive compositions contain significant amounts of phyllosilicate minerals, which are generally interpreted as evidence of protoplanetary aqueous alteration at an early period of the solar system. These meteorites are chondrites (near solar composition) of the carbonaceous and ordinary varieties. The former are subdivided (according to bulk composition and petrology) into CI, CM, CV, CO, CR, and ungrouped classes. IDPs are extraterrestrial particulates, collected in stratosphere, which have chemical compositions indicative of a primitive origin; they are typically distinct from the primitive meteorites. Characterization of phyllosilicates in these materials is a high priority because of the important physico-chemical information they hold. The most common phyllosilicates present in chondritic extraterrestrial materials are serpentine-group minerals, smectites, and micas. We discuss these phyllosilicates and describe the interpretation of their occurrence in meteorites and IDPs and what this indicates about history of their parent bodies, which are probably the hydrous asteroids.
Localized basis sets for unbound electrons in nanoelectronics.

PubMed

Soriano, D; Jacob, D; Palacios, J J

2008-02-21

It is shown how unbound electron wave functions can be expanded in a suitably chosen localized basis sets for any desired range of energies. In particular, we focus on the use of Gaussian basis sets, commonly used in first-principles codes. The possible usefulness of these basis sets in a first-principles description of field emission or scanning tunneling microscopy at large bias is illustrated by studying a simpler related phenomenon: The lifetime of an electron in a H atom subjected to a strong electric field.
Basic math in monkeys and college students.

PubMed

Cantlon, Jessica F; Brannon, Elizabeth M

2007-12-01

Adult humans possess a sophisticated repertoire of mathematical faculties. Many of these capacities are rooted in symbolic language and are therefore unlikely to be shared with nonhuman animals. However, a subset of these skills is shared with other animals, and this set is considered a cognitive vestige of our common evolutionary history. Current evidence indicates that humans and nonhuman animals share a core set of abilities for representing and comparing approximate numerosities nonverbally; however, it remains unclear whether nonhuman animals can perform approximate mental arithmetic. Here we show that monkeys can mentally add the numerical values of two sets of objects and choose a visual array that roughly corresponds to the arithmetic sum of these two sets. Furthermore, monkeys' performance during these calculations adheres to the same pattern as humans tested on the same nonverbal addition task. Our data demonstrate that nonverbal arithmetic is not unique to humans but is instead part of an evolutionarily primitive system for mathematical thinking shared by monkeys.
Near Hartree-Fock quality GTO basis sets for the second-row atoms

NASA Technical Reports Server (NTRS)

Partridge, Harry

1987-01-01

Energy optimized, near Hartree-Fock quality Gaussian basis sets ranging in size from (17s12p) to (20s15p) are presented for the ground states of the second-row atoms for Na(2P), Na(+), Na(-), Mg(3P), P(-), S(-), and Cl(-). In addition, optimized supplementary functions are given for the ground state basis sets to describe the negative ions, and the excited Na(2P) and Mg(3P) atomic states. The ratios of successive orbital exponents describing the inner part of the 1s and 2p orbitals are found to be nearly independent of both nuclear charge and basis set size. This provides a method of obtaining good starting estimates for other basis set optimizations.
A morphological analysis of the transition between the embryonic primitive intestine and yolk sac in bovine embryos and fetuses.

PubMed

Mançanares, Celina A F; Leiser, Rudolf; Favaron, Phelipe O; Carvalho, Ana F; Oliveira, Vanessa C De; Santos, José M Dos; Ambrósio, Carlos E; Miglino, Maria A

2013-07-01

The yolk sac (YS) is the main source of embryonic nutrition during the period when the placenta has not yet formed. It is also responsible for hematopoiesis because the blood cells develop from it as part of the primitive embryonic circulation. The objective of this study was to characterize the transitional area between the YS and primitive gut using the techniques of light microscopy, transmission electron microscopy, and immunohistochemistry to detect populations of pluripotent cells by labeling with Oct4 antibody. In all investigated embryos, serial sections were made to permit the identification of this small, restricted area. We identified the YS connection with the primitive intestine and found that it is composed of many blood islands, which correspond to the vessels covered by vitelline and mesenchymal cells. We identified large numbers of hemangioblasts inside the vessels. The mesenchymal layer was thin and composed of elongated cells, and the vitelline endodermal membrane was composed of large, mono- or binucleated cells. The epithelium of the primitive intestine comprised stratified columnar cells and undifferentiated mesenchymal cells. The transitional area between the YS and the primitive intestine was very thin and composed of cells with irregular shapes, which formed a delicate lumen containing hemangioblasts. In the mesenchyme of the transitional area, there were a considerable number of small vessels containing hemangioblasts. Using Oct4 as a primary antibody, we identified positive cells in the metanephros, primordial gonad, and hepatic parenchyma as well as in YS cells, suggesting that these regions contain populations of pluripotent cells. Copyright © 2013 Wiley Periodicals, Inc.
Correct Patterning of the Primitive Streak Requires the Anterior Visceral Endoderm

PubMed Central

Stuckey, Daniel W.; Di Gregorio, Aida; Clements, Melanie; Rodriguez, Tristan A.

2011-01-01

Anterior-posterior axis specification in the mouse requires signalling from a specialised extra-embryonic tissue called the anterior visceral endoderm (AVE). AVE precursors are induced at the distal tip of the embryo and move to the prospective anterior. Embryological and genetic analysis has demonstrated that the AVE is required for anterior patterning and for correctly positioning the site of primitive streak formation by inhibiting Nodal activity. We have carried out a genetic ablation of the Hex-expressing cells of the AVE (Hex-AVE) by knocking the Diphtheria toxin subunit A into the Hex locus in an inducible manner. Using this model we have identified that, in addition to its requirement in the anterior of the embryo, the Hex-AVE sub-population has a novel role between 5.5 and 6.5dpc in patterning the primitive streak. Embryos lacking the Hex-AVE display delayed initiation of primitive streak formation and miss-patterning of the anterior primitive streak. We demonstrate that in the absence of the Hex-AVE the restriction of Bmp2 expression to the proximal visceral endoderm is also defective and expression of Wnt3 and Nodal is not correctly restricted to the posterior epiblast. These results, coupled with the observation that reducing Nodal signalling in Hex-AVE ablated embryos increases the frequency of phenotypes observed, suggests that these primitive streak patterning defects are due to defective Nodal signalling. Together, our experiments demonstrate that the AVE is not only required for anterior patterning, but also that specific sub-populations of this tissue are required to pattern the posterior of the embryo. PMID:21445260
Combination of large and small basis sets in electronic structure calculations on large systems

NASA Astrophysics Data System (ADS)

Røeggen, Inge; Gao, Bin

2018-04-01

Two basis sets—a large and a small one—are associated with each nucleus of the system. Each atom has its own separate one-electron basis comprising the large basis set of the atom in question and the small basis sets for the partner atoms in the complex. The perturbed atoms in molecules and solids model is at core of the approach since it allows for the definition of perturbed atoms in a system. It is argued that this basis set approach should be particularly useful for periodic systems. Test calculations are performed on one-dimensional arrays of H and Li atoms. The ground-state energy per atom in the linear H array is determined versus bond length.
Evolution of Computational Toxicology-from Primitive ...

EPA Pesticide Factsheets

Presentation at the Health Canada seminar in Ottawa, ON, Canada on Nov. 15. 2016 Presentation at the Health Canada seminar in Ottawa, ON, Canada on Nov. 15. 2016 on the Evolution of Computational Toxicology-from Primitive Beginnings to Sophisticated Application

Primary Ewing's sarcoma/primitive neuroectodermal tumor of the ileum: case report of a 16-year-old Chinese female and literature review.

PubMed

Li, Teng; Zhang, Fang; Cao, Yarui; Ning, Shoubin; Bi, Yongmin; Xue, Weicheng; Ren, Li

2017-05-04

Ewing's sarcoma (ES) and primitive neuroectodermal tumors (PNET) are closely related tumors. Although soft tissue ES/PNET are common in clinical practice, they are rare in the small intestine. Because of the absence of characteristic clinical symptoms, they are easily misdiagnosed as other benign or malignant diseases. Here, we present the case of a 16-year-old female who complained of anemia and interval hematochezia. Her serum test results showed only a slight elevation of CA-125 and a low level of hemoglobin. Computer tomography and magnetic resonance imaging revealed a cystic and solid mass in the lower abdominal quadrant and pelvic region, which prompted suspicion of a malignant gastrointestinal stromal tumor of the small intestine. After resection, the tumor's histology and immunohistochemistry (positive for CD99, vimentin and synaptophysin) results suggested ES/PNET. Fluorescent in situ hybridization tests proved the breakpoint rearrangement of the EWSR1 gene in chr 22.Ultrastructural analysis revealed neurosecretory and glycogen granules in the tumor cell cytoplasm. Together, these data supported the diagnosis of a rare case of localized ES/PNET in the small intestine without adjuvant chemo- or radiotherapy. To our knowledge, this is the first report from China of a primary small bowel ES/PNET in the English-language literature. In addition, on the basis of findings from previous publications and the current case, the optimal treatment for localized gastrointestinal ES/PNET is discussed.
[History of mechanical sutures in digestive system surgery].

PubMed

Picardi, Nicola

2002-01-01

The attempts to suture wounds with mechanical device are very old, and their history is lost in the night of times. But more recently--that means less than two century ago--already before the true initial beginning of the modern surgery, after the birth of anaesthesiology with the "ether day--16 october 1846" there have been many efforts to develop new methods to join the tissue of the gut avoiding the danger of peritoneal contamination. The primitive tools of these ancient stapler were founded on the principle to compress with mechanical devices the two sides of the tissue to join. Very early in the past century, well before the appearance of the antibiotics, in the heart of the old Europe were developed and perfectionated devices able to join the intestinal tissue with metallic stitches: the primitive staplers. But after the end of the second world war the development has become bursting, with the progress of the Sovietic Institute of experimental research on surgical tools of Moscow and then with the mighty initiatives of the industrial power in the USA. The more important progress in this field was founded on the standardization of tools designed to fix metallic stitches on the gut, but very recently there are new attempts to use the more old principle of compression-suture on new basis. The results of this development, essential for modern surgery, are the standardization of the surgical technique, the shortening of operative times, and an important support to the new mininvasive approach to digestive surgery.
A control theory approach to the analysis and synthesis of the experimentally observed motion primitives.

PubMed

Nori, Francesco; Frezza, Ruggero

2005-11-01

Recent experiments on frogs and rats, have led to the hypothesis that sensory-motor systems are organized into a finite number of linearly combinable modules; each module generates a motor command that drives the system to a predefined equilibrium. Surprisingly, in spite of the infiniteness of different movements that can be realized, there seems to be only a handful of these modules. The structure can be thought of as a vocabulary of "elementary control actions". Admissible controls, which in principle belong to an infinite dimensional space, are reduced to the linear vector space spanned by these elementary controls. In the present paper we address some theoretical questions that arise naturally once a similar structure is applied to the control of nonlinear kinematic chains. First of all, we show how to choose the modules so that the system does not loose its capability of generating a "complete" set of movements. Secondly, we realize a "complete" vocabulary with a minimal number of elementary control actions. Subsequently, we show how to modify the control scheme so as to compensate for parametric changes in the system to be controlled. Remarkably, we construct a set of modules with the property of being invariant with respect to the parameters that model the growth of an individual. Robustness against uncertainties is also considered showing how to optimally choose the modules equilibria so as to compensate for errors affecting the system. Finally, the motion primitive paradigm is extended to locomotion and a related formalization of internal (proprioceptive) and external (exteroceptive) variables is given.
PLAID- A COMPUTER AIDED DESIGN SYSTEM

NASA Technical Reports Server (NTRS)

Brown, J. W.

1994-01-01

PLAID is a three-dimensional Computer Aided Design (CAD) system which enables the user to interactively construct, manipulate, and display sets of highly complex geometric models. PLAID was initially developed by NASA to assist in the design of Space Shuttle crewstation panels, and the detection of payload object collisions. It has evolved into a more general program for convenient use in many engineering applications. Special effort was made to incorporate CAD techniques and features which minimize the users workload in designing and managing PLAID models. PLAID consists of three major modules: the Primitive Object Generator (BUILD), the Composite Object Generator (COG), and the DISPLAY Processor. The BUILD module provides a means of constructing simple geometric objects called primitives. The primitives are created from polygons which are defined either explicitly by vertex coordinates, or graphically by use of terminal crosshairs or a digitizer. Solid objects are constructed by combining, rotating, or translating the polygons. Corner rounding, hole punching, milling, and contouring are special features available in BUILD. The COG module hierarchically organizes and manipulates primitives and other previously defined COG objects to form complex assemblies. The composite object is constructed by applying transformations to simpler objects. The transformations which can be applied are scalings, rotations, and translations. These transformations may be defined explicitly or defined graphically using the interactive COG commands. The DISPLAY module enables the user to view COG assemblies from arbitrary viewpoints (inside or outside the object) both in wireframe and hidden line renderings. The PLAID projection of a three-dimensional object can be either orthographic or with perspective. A conflict analysis option enables detection of spatial conflicts or collisions. DISPLAY provides camera functions to simulate a view of the model through different lenses. Other features include hardcopy plot generation, scaling and zoom options, distance tabulations, and descriptive text in different sizes and fonts. An object in the PLAID database is not just a collection of lines; rather, it is a true three-dimensional representation from which correct hidden line renditions can be computed for any specified eye point. The drawings produced in the various modules of PLAID can be stored in files for future use. The PLAID program product is available by license for a period of 10 years to domestic U.S. licensees. The licensed program product includes the PLAID source code, command procedures, sample applications, and one set of supporting documentation. Copies of the documentation may be purchased separately at the price indicated below. PLAID is written in FORTRAN 77 for single user interactive execution and has been implemented on a DEC VAX series computer operating under VMS with a recommended core memory of four megabytes. PLAID requires a Tektronix 4014 compatible graphics display terminal and optionally uses a Tektronix 4631 compatible graphics hardcopier. Plots of resulting PLAID displays may be produced using the Calcomp 960, HP 7221, or HP 7580 plotters. Digitizer tablets can also be supported. This program was developed in 1986.
Low-Resolution Spectroscopy of Primitive Asteroids: Progress Report for SARA/VSU Survey

NASA Technical Reports Server (NTRS)

Leake, M. A.; Nogues, J. P.; Gaines, J. K.; Looper, J. K.; Freitas, K. A.

2001-01-01

Progress on a low-resolution survey of primitive C-class asteroids continues using new equipment (and its associated problems) to understand aqueous alteration in the solar system. Additional information is contained in the original extended abstract.
Design of Quasi-Terminator Orbits near Primitive Bodies

NASA Technical Reports Server (NTRS)

Lantoine, Gregory; Broschart, Stephen B.; Grebow, Daniel J.

2013-01-01

Quasi-terminator orbits are a class of quasi-periodic orbits around a primitive body that exist in the vicinity of the well-known terminator orbits. The inherent stability of quasi-terminator trajectories and their wide variety of viewing geometries make them a very compelling option for primitive body mapping missions. In this paper, we discuss orbit design methodologies for selection of an appropriate quasi-terminator orbit that would meet the needs of a specific mission. Convergence of these orbits in an eccentric, higher-fidelity model is also discussed with an example case at Bennu, the target of the upcoming NASA's OSIRIS-REx mission.
SMP: A solid modeling program version 2.0

NASA Technical Reports Server (NTRS)

Randall, D. P.; Jones, K. H.; Vonofenheim, W. H.; Gates, R. L.; Matthews, C. G.

1986-01-01

The Solid Modeling Program (SMP) provides the capability to model complex solid objects through the composition of primitive geometric entities. In addition to the construction of solid models, SMP has extensive facilities for model editing, display, and analysis. The geometric model produced by the software system can be output in a format compatible with existing analysis programs such as PATRAN-G. The present version of the SMP software supports six primitives: boxes, cones, spheres, paraboloids, tori, and trusses. The details for creating each of the major primitive types is presented. The analysis capabilities of SMP, including interfaces to existing analysis programs, are discussed.
Utilizing semantic networks to database and retrieve generalized stochastic colored Petri nets

NASA Technical Reports Server (NTRS)

Farah, Jeffrey J.; Kelley, Robert B.

1992-01-01

Previous work has introduced the Planning Coordinator (PCOORD), a coordinator functioning within the hierarchy of the Intelligent Machine Mode. Within the structure of the Planning Coordinator resides the Primitive Structure Database (PSDB) functioning to provide the primitive structures utilized by the Planning Coordinator in the establishing of error recovery or on-line path plans. This report further explores the Primitive Structure Database and establishes the potential of utilizing semantic networks as a means of efficiently storing and retrieving the Generalized Stochastic Colored Petri Nets from which the error recovery plans are derived.
AGUA TIBIA PRIMITIVE AREA, CALIFORNIA.

USGS Publications Warehouse

Irwin, William P.; Thurber, Horace K.

1984-01-01

The Agua Tibia Primitive Area in southwestern California is underlain by igneous and metamorphic rocks that are siilar to those widely exposed throughout much of the Peninsular Ranges. To detect the presence of any concealed mineral deposits, samples of stream sediments were collected along the various creeks that head in the mountain. As an additional aid in evaluating the mineral potential, an aeromagnetic survey was made and interpreted. A search for records of past or existing mining claims within the primitive area was made but none was found. Evidence of deposits of metallic or nonmetallic minerals was not seen during the study.
Perceptual integration of kinematic components in the recognition of emotional facial expressions.

PubMed

Chiovetto, Enrico; Curio, Cristóbal; Endres, Dominik; Giese, Martin

2018-04-01

According to a long-standing hypothesis in motor control, complex body motion is organized in terms of movement primitives, reducing massively the dimensionality of the underlying control problems. For body movements, this low-dimensional organization has been convincingly demonstrated by the learning of low-dimensional representations from kinematic and EMG data. In contrast, the effective dimensionality of dynamic facial expressions is unknown, and dominant analysis approaches have been based on heuristically defined facial "action units," which reflect contributions of individual face muscles. We determined the effective dimensionality of dynamic facial expressions by learning of a low-dimensional model from 11 facial expressions. We found an amazingly low dimensionality with only two movement primitives being sufficient to simulate these dynamic expressions with high accuracy. This low dimensionality is confirmed statistically, by Bayesian model comparison of models with different numbers of primitives, and by a psychophysical experiment that demonstrates that expressions, simulated with only two primitives, are indistinguishable from natural ones. In addition, we find statistically optimal integration of the emotion information specified by these primitives in visual perception. Taken together, our results indicate that facial expressions might be controlled by a very small number of independent control units, permitting very low-dimensional parametrization of the associated facial expression.
A direct Primitive Variable Recovery Scheme for hyperbolic conservative equations: The case of relativistic hydrodynamics.

PubMed

Aguayo-Ortiz, A; Mendoza, S; Olvera, D

2018-01-01

In this article we develop a Primitive Variable Recovery Scheme (PVRS) to solve any system of coupled differential conservative equations. This method obtains directly the primitive variables applying the chain rule to the time term of the conservative equations. With this, a traditional finite volume method for the flux is applied in order avoid violation of both, the entropy and "Rankine-Hugoniot" jump conditions. The time evolution is then computed using a forward finite difference scheme. This numerical technique evades the recovery of the primitive vector by solving an algebraic system of equations as it is often used and so, it generalises standard techniques to solve these kind of coupled systems. The article is presented bearing in mind special relativistic hydrodynamic numerical schemes with an added pedagogical view in the appendix section in order to easily comprehend the PVRS. We present the convergence of the method for standard shock-tube problems of special relativistic hydrodynamics and a graphical visualisation of the errors using the fluctuations of the numerical values with respect to exact analytic solutions. The PVRS circumvents the sometimes arduous computation that arises from standard numerical methods techniques, which obtain the desired primitive vector solution through an algebraic polynomial of the charges.
A direct Primitive Variable Recovery Scheme for hyperbolic conservative equations: The case of relativistic hydrodynamics

PubMed Central

Mendoza, S.; Olvera, D.

2018-01-01

In this article we develop a Primitive Variable Recovery Scheme (PVRS) to solve any system of coupled differential conservative equations. This method obtains directly the primitive variables applying the chain rule to the time term of the conservative equations. With this, a traditional finite volume method for the flux is applied in order avoid violation of both, the entropy and “Rankine-Hugoniot” jump conditions. The time evolution is then computed using a forward finite difference scheme. This numerical technique evades the recovery of the primitive vector by solving an algebraic system of equations as it is often used and so, it generalises standard techniques to solve these kind of coupled systems. The article is presented bearing in mind special relativistic hydrodynamic numerical schemes with an added pedagogical view in the appendix section in order to easily comprehend the PVRS. We present the convergence of the method for standard shock-tube problems of special relativistic hydrodynamics and a graphical visualisation of the errors using the fluctuations of the numerical values with respect to exact analytic solutions. The PVRS circumvents the sometimes arduous computation that arises from standard numerical methods techniques, which obtain the desired primitive vector solution through an algebraic polynomial of the charges. PMID:29659602
An application of software design and documentation language. [Galileo spacecraft command and data subsystem

NASA Technical Reports Server (NTRS)

Callender, E. D.; Clarkson, T. B.; Frasier, C. E.

1980-01-01

The software design and documentation language (SDDL) is a general purpose processor to support a lanugage for the description of any system, structure, concept, or procedure that may be presented from the viewpoint of a collection of hierarchical entities linked together by means of binary connections. The language comprises a set of rules of syntax, primitive construct classes (module, block, and module invocation), and language control directives. The result is a language with a fixed grammar, variable alphabet and punctuation, and an extendable vocabulary. The application of SDDL to the detailed software design of the Command Data Subsystem for the Galileo Spacecraft is discussed. A set of constructs was developed and applied. These constructs are evaluated and examples of their application are considered.
A model for tides and currents in the English Channel and southern North Sea

USGS Publications Warehouse

Walters, Roy A.

1987-01-01

The amplitude and phase of 11 tidal constituents for the English Channel and southern North Sea are calculated using a frequency domain, finite element model. The governing equations - the shallow water equations - are modifed such that sea level is calculated using an elliptic equation of the Helmholz type followed by a back-calculation of velocity using the primitive momentum equations. Triangular elements with linear basis functions are used. The modified form of the governing equations provides stable solutions with little numerical noise. In this field-scale test problem, the model was able to produce the details of the structure of 11 tidal constituents including O1, K1, M2, S2, N2, K2, M4, MS4, MN4, M6, and 2MS6.
Unfolding energy spectra of double-periodicity two-dimensional systems: Twisted bilayer graphene and MoS2 on graphene

NASA Astrophysics Data System (ADS)

Matsushita, Yu-ichiro; Nishi, Hirofumi; Iwata, Jun-ichi; Kosugi, Taichi; Oshiyama, Atsushi

2018-01-01

We propose an unfolding scheme to analyze energy spectra of complex large-scale systems which are inherently of double periodicity on the basis of the density-functional theory. Applying our method to a twisted bilayer graphene (tBLG) and a stack of monolayer MoS2 on graphene (MoS2/graphene) as examples, we first show that the conventional unfolding scheme in the past using a single primitive-cell representation causes serious problems in analyses of the energy spectra. We then introduce our multispace representation scheme in the unfolding method and clarify its validity. Velocity renormalization of Dirac electrons in tBLG and mini gaps of Dirac cones in MoS2/graphene are elucidated in the present unfolding scheme.
Dynamical basis sets for algebraic variational calculations in quantum-mechanical scattering theory

NASA Technical Reports Server (NTRS)

Sun, Yan; Kouri, Donald J.; Truhlar, Donald G.; Schwenke, David W.

1990-01-01

New basis sets are proposed for linear algebraic variational calculations of transition amplitudes in quantum-mechanical scattering problems. These basis sets are hybrids of those that yield the Kohn variational principle (KVP) and those that yield the generalized Newton variational principle (GNVP) when substituted in Schlessinger's stationary expression for the T operator. Trial calculations show that efficiencies almost as great as that of the GNVP and much greater than the KVP can be obtained, even for basis sets with the majority of the members independent of energy.
On basis set superposition error corrected stabilization energies for large n-body clusters.

PubMed

Walczak, Katarzyna; Friedrich, Joachim; Dolg, Michael

2011-10-07

In this contribution, we propose an approximate basis set superposition error (BSSE) correction scheme for the site-site function counterpoise and for the Valiron-Mayer function counterpoise correction of second order to account for the basis set superposition error in clusters with a large number of subunits. The accuracy of the proposed scheme has been investigated for a water cluster series at the CCSD(T), CCSD, MP2, and self-consistent field levels of theory using Dunning's correlation consistent basis sets. The BSSE corrected stabilization energies for a series of water clusters are presented. A study regarding the possible savings with respect to computational resources has been carried out as well as a monitoring of the basis set dependence of the approximate BSSE corrections. © 2011 American Institute of Physics
High quality Gaussian basis sets for fourth-row atoms

NASA Technical Reports Server (NTRS)

Partridge, Harry; Faegri, Knut, Jr.

1992-01-01

Energy optimized Gaussian basis sets of triple-zeta quality for the atoms Rb-Xe have been derived. Two series of basis sets are developed: (24s 16p 10d) and (26s 16p 10d) sets which were expanded to 13d and 19p functions as the 4d and 5p shells become occupied. For the atoms lighter than Cd, the (24s 16p 10d) sets with triple-zeta valence distributions are higher in energy than the corresponding double-zeta distribution. To ensure a triple-zeta distribution and a global energy minimum, the (26s 16p 10d) sets were derived. Total atomic energies from the largest basis sets are between 198 and 284 (mu)E(sub H) above the numerical Hartree-Fock energies.
Heuristics for Cooperative Problem Solving

DTIC Science & Technology

1989-02-01

briefly, cooperation is a very common problem-solving technique in natural systems and occurs in a wide variety of animals ranging from termites and...primitive way with pheromones but sometimes more directly. As with social spiders, they show relatively primitive coordination of behavior. In spite
Combination Chemotherapy With or Without Ganitumab in Treating Patients With Newly Diagnosed Metastatic Ewing Sarcoma

ClinicalTrials.gov

2018-06-28

Metastatic Ewing Sarcoma; Metastatic Malignant Neoplasm in the Bone; Metastatic Malignant Neoplasm in the Bone Marrow; Metastatic Malignant Neoplasm in the Lung; Metastatic Peripheral Primitive Neuroectodermal Tumor of Bone; Peripheral Primitive Neuroectodermal Tumor of Soft Tissues

Relativistic well-tempered Gaussian basis sets for helium through mercury

DOE Office of Scientific and Technical Information (OSTI.GOV)

Okada, S.; Matsuoka, O.

1989-10-01

Exponent parameters of the nonrelativistically optimized well-tempered Gaussian basis sets of Huzinaga and Klobukowski have been employed for Dirac--Fock--Roothaan calculations without their reoptimization. For light atoms He (atomic number {ital Z}=2)--Rh ({ital Z}=45), the number of exponent parameters used has been the same as the nonrelativistic basis sets and for heavier atoms Pd ({ital Z}=46)--Hg({ital Z}=80), two 2{ital p} (and three 3{ital d}) Gaussian basis functions have been augmented. The scheme of kinetic energy balance and the uniformly charged sphere model of atomic nuclei have been adopted. The qualities of the calculated basis sets are close to the Dirac--Fock limit.
Performance assessment of density functional methods with Gaussian and Slater basis sets using 7σ orbital momentum distributions of N2O

NASA Astrophysics Data System (ADS)

Wang, Feng; Pang, Wenning; Duffy, Patrick

2012-12-01

Performance of a number of commonly used density functional methods in chemistry (B3LYP, Bhandh, BP86, PW91, VWN, LB94, PBe0, SAOP and X3LYP and the Hartree-Fock (HF) method) has been assessed using orbital momentum distributions of the 7σ orbital of nitrous oxide (NNO), which models electron behaviour in a chemically significant region. The density functional methods are combined with a number of Gaussian basis sets (Pople's 6-31G*, 6-311G**, DGauss TZVP and Dunning's aug-cc-pVTZ as well as even-tempered Slater basis sets, namely, et-DZPp, et-QZ3P, et-QZ+5P and et-pVQZ). Orbital momentum distributions of the 7σ orbital in the ground electronic state of NNO, which are obtained from a Fourier transform into momentum space from single point electronic calculations employing the above models, are compared with experimental measurement of the same orbital from electron momentum spectroscopy (EMS). The present study reveals information on performance of (a) the density functional methods, (b) Gaussian and Slater basis sets, (c) combinations of the density functional methods and basis sets, that is, the models, (d) orbital momentum distributions, rather than a group of specific molecular properties and (e) the entire region of chemical significance of the orbital. It is found that discrepancies of this orbital between the measured and the calculated occur in the small momentum region (i.e. large r region). In general, Slater basis sets achieve better overall performance than the Gaussian basis sets. Performance of the Gaussian basis sets varies noticeably when combining with different Vxc functionals, but Dunning's augcc-pVTZ basis set achieves the best performance for the momentum distributions of this orbital. The overall performance of the B3LYP and BP86 models is similar to newer models such as X3LYP and SAOP. The present study also demonstrates that the combinations of the density functional methods and the basis sets indeed make a difference in the quality of the calculated orbitals.
A Comparison of the Behavior of Functional/Basis Set Combinations for Hydrogen-Bonding in the Water Dimer with Emphasis on Basis Set Superposition Error

PubMed Central

Plumley, Joshua A.; Dannenberg, J. J.

2011-01-01

We evaluate the performance of nine functionals (B3LYP, M05, M05-2X, M06, M06-2X, B2PLYP, B2PLYPD, X3LYP, B97D and MPWB1K) in combination with 16 basis sets ranging in complexity from 6-31G(d) to aug-cc-pV5Z for the calculation of the H-bonded water dimer with the goal of defining which combinations of functionals and basis sets provide a combination of economy and accuracy for H-bonded systems. We have compared the results to the best non-DFT molecular orbital calculations and to experimental results. Several of the smaller basis sets lead to qualitatively incorrect geometries when optimized on a normal potential energy surface (PES). This problem disappears when the optimization is performed on a counterpoise corrected PES. The calculated ΔE's with the largest basis sets vary from -4.42 (B97D) to -5.19 (B2PLYPD) kcal/mol for the different functionals. Small basis sets generally predict stronger interactions than the large ones. We found that, due to error compensation, the smaller basis sets gave the best results (in comparison to experimental and high level non-DFT MO calculations) when combined with a functional that predicts a weak interaction with the largest basis set. Since many applications are complex systems and require economical calculations, we suggest the following functional/basis set combinations in order of increasing complexity and cost: 1) D95(d,p) with B3LYP, B97D, M06 or MPWB1k; 2) 6-311G(d,p) with B3LYP; 3) D95++(d,p) with B3LYP, B97D or MPWB1K; 4)6-311++G(d,p) with B3LYP or B97D; and 5) aug-cc-pVDZ with M05-2X, M06-2X or X3LYP. PMID:21328398
A comparison of the behavior of functional/basis set combinations for hydrogen-bonding in the water dimer with emphasis on basis set superposition error.

PubMed

Plumley, Joshua A; Dannenberg, J J

2011-06-01

We evaluate the performance of ten functionals (B3LYP, M05, M05-2X, M06, M06-2X, B2PLYP, B2PLYPD, X3LYP, B97D, and MPWB1K) in combination with 16 basis sets ranging in complexity from 6-31G(d) to aug-cc-pV5Z for the calculation of the H-bonded water dimer with the goal of defining which combinations of functionals and basis sets provide a combination of economy and accuracy for H-bonded systems. We have compared the results to the best non-density functional theory (non-DFT) molecular orbital (MO) calculations and to experimental results. Several of the smaller basis sets lead to qualitatively incorrect geometries when optimized on a normal potential energy surface (PES). This problem disappears when the optimization is performed on a counterpoise (CP) corrected PES. The calculated interaction energies (ΔEs) with the largest basis sets vary from -4.42 (B97D) to -5.19 (B2PLYPD) kcal/mol for the different functionals. Small basis sets generally predict stronger interactions than the large ones. We found that, because of error compensation, the smaller basis sets gave the best results (in comparison to experimental and high-level non-DFT MO calculations) when combined with a functional that predicts a weak interaction with the largest basis set. As many applications are complex systems and require economical calculations, we suggest the following functional/basis set combinations in order of increasing complexity and cost: (1) D95(d,p) with B3LYP, B97D, M06, or MPWB1k; (2) 6-311G(d,p) with B3LYP; (3) D95++(d,p) with B3LYP, B97D, or MPWB1K; (4) 6-311++G(d,p) with B3LYP or B97D; and (5) aug-cc-pVDZ with M05-2X, M06-2X, or X3LYP. Copyright © 2011 Wiley Periodicals, Inc.
On the validity of the basis set superposition error and complete basis set limit extrapolations for the binding energy of the formic acid dimer

NASA Astrophysics Data System (ADS)

Miliordos, Evangelos; Xantheas, Sotiris S.

2015-03-01

We report the variation of the binding energy of the Formic Acid Dimer with the size of the basis set at the Coupled Cluster with iterative Singles, Doubles and perturbatively connected Triple replacements [CCSD(T)] level of theory, estimate the Complete Basis Set (CBS) limit, and examine the validity of the Basis Set Superposition Error (BSSE)-correction for this quantity that was previously challenged by Kalescky, Kraka, and Cremer (KKC) [J. Chem. Phys. 140, 084315 (2014)]. Our results indicate that the BSSE correction, including terms that account for the substantial geometry change of the monomers due to the formation of two strong hydrogen bonds in the dimer, is indeed valid for obtaining accurate estimates for the binding energy of this system as it exhibits the expected decrease with increasing basis set size. We attribute the discrepancy between our current results and those of KKC to their use of a valence basis set in conjunction with the correlation of all electrons (i.e., including the 1s of C and O). We further show that the use of a core-valence set in conjunction with all electron correlation converges faster to the CBS limit as the BSSE correction is less than half than the valence electron/valence basis set case. The uncorrected and BSSE-corrected binding energies were found to produce the same (within 0.1 kcal/mol) CBS limits. We obtain CCSD(T)/CBS best estimates for De = - 16.1 ± 0.1 kcal/mol and for D0 = - 14.3 ± 0.1 kcal/mol, the later in excellent agreement with the experimental value of -14.22 ± 0.12 kcal/mol.
Characterizing and Understanding the Remarkably Slow Basis Set Convergence of Several Minnesota Density Functionals for Intermolecular Interaction Energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mardirossian, Narbe; Head-Gordon, Martin

2013-08-22

For a set of eight equilibrium intermolecular complexes, it is discovered in this paper that the basis set limit (BSL) cannot be reached by aug-cc-pV5Z for three of the Minnesota density functionals: M06-L, M06-HF, and M11-L. In addition, the M06 and M11 functionals exhibit substantial, but less severe, difficulties in reaching the BSL. By using successively finer grids, it is demonstrated that this issue is not related to the numerical integration of the exchange-correlation functional. In addition, it is shown that the difficulty in reaching the BSL is not a direct consequence of the structure of the augmented functions inmore » Dunning’s basis sets, since modified augmentation yields similar results. By using a very large custom basis set, the BSL appears to be reached for the HF dimer for all of the functionals. As a result, it is concluded that the difficulties faced by several of the Minnesota density functionals are related to an interplay between the form of these functionals and the structure of standard basis sets. It is speculated that the difficulty in reaching the basis set limit is related to the magnitude of the inhomogeneity correction factor (ICF) of the exchange functional. A simple modification of the M06-L exchange functional that systematically reduces the basis set superposition error (BSSE) for the HF dimer in the aug-cc-pVQZ basis set is presented, further supporting the speculation that the difficulty in reaching the BSL is caused by the magnitude of the exchange functional ICF. In conclusion, the BSSE is plotted with respect to the internuclear distance of the neon dimer for two of the examined functionals.« less
Evolutionary anatomy of the Neandertal ulna and radius in the light of the new El Sidrón sample.

PubMed

Pérez-Criado, Laura; Rosas, Antonio

2017-05-01

This paper aims to improve our understanding of the phylogenetic trait polarity related to hominin forearm evolution, in particular those traits traditionally defined as "Neandertal features." To this aim, twelve adult and adolescent fragmented forelimb elements (including ulnae and radii) of Homo neanderthalensis recovered from the site of El Sidrón (Asturias, Spain) were examined comparatively using three-dimensional geometric and traditional morphometrics. Mean centroid size and shape comparisons, principal components analysis, and phylogenetic signal analysis were undertaken. Our investigations revealed that the proximal region of the ulna discriminated best between Neandertals and modern humans, with fewer taxonomically-informative features in the distal ulna and radius. Compared to modern humans, the divergent features in the Neandertal ulna are an increase in olecranon breadth (a derived trait), lower coronoid length (primitive), and anterior orientation of the trochlear notch (primitive). In the Neandertal radius, we observe a larger neck length (primitive), medial orientation of the radial tubercle (secondarily primitive), and a curved diaphysis (secondarily primitive). Anatomically, we identified three units of evolutionary change: 1) the olecranon and its fossa, 2) the coronoid-radius neck complex, and 3) the tubercle and radial diaphysis. Based on our data, forearm evolution followed a mosaic pattern in which some features were inherited from a pre-Homo ancestor, others originated in some post-ergaster and pre-antecessor populations, and other characters emerged in the specific Homo sapiens and H. neanderthalensis lineages, sometimes appearing as secondarily primitive. Future investigations might consider the diverse phylogenetic origin of apomorphies while at the same time seeking to elucidate their functional meaning. Copyright © 2017 Elsevier Ltd. All rights reserved.
New hybrid voxelized/analytical primitive in Monte Carlo simulations for medical applications

NASA Astrophysics Data System (ADS)

Bert, Julien; Lemaréchal, Yannick; Visvikis, Dimitris

2016-05-01

Monte Carlo simulations (MCS) applied in particle physics play a key role in medical imaging and particle therapy. In such simulations, particles are transported through voxelized phantoms derived from predominantly patient CT images. However, such voxelized object representation limits the incorporation of fine elements, such as artificial implants from CAD modeling or anatomical and functional details extracted from other imaging modalities. In this work we propose a new hYbrid Voxelized/ANalytical primitive (YVAN) that combines both voxelized and analytical object descriptions within the same MCS, without the need to simultaneously run two parallel simulations, which is the current gold standard methodology. Given that YVAN is simply a new primitive object, it does not require any modifications on the underlying MC navigation code. The new proposed primitive was assessed through a first simple MCS. Results from the YVAN primitive were compared against an MCS using a pure analytical geometry and the layer mass geometry concept. A perfect agreement was found between these simulations, leading to the conclusion that the new hybrid primitive is able to accurately and efficiently handle phantoms defined by a mixture of voxelized and analytical objects. In addition, two application-based evaluation studies in coronary angiography and intra-operative radiotherapy showed that the use of YVAN was 6.5% and 12.2% faster than the layered mass geometry method, respectively, without any associated loss of accuracy. However, the simplification advantages and differences in computational time improvements obtained with YVAN depend on the relative proportion of the analytical and voxelized structures used in the simulation as well as the size and number of triangles used in the description of the analytical object meshes.
Petrogenesis of the Late Triassic diorites in the Hoh Xil area, northern Tibet: Insights into the origin of the high-Mg# andesitic signature of continental crust

NASA Astrophysics Data System (ADS)

Wang, Jun; Gou, Guo-Ning; Wang, Qiang; Zhang, Chunfu; Dan, Wei; Wyman, Derek A.; Zhang, Xiu-Zheng

2018-02-01

An integrated petrologic, geochronologic, major and trace element geochemical, and Sr-Nd-Hf isotopic study of Late Triassic ( 215 Ma) diorites from the Hoh Xil area, northern Tibet, provides new constraints on the genesis of intermediate magmas and insights into the origin of the high-Mg# andesitic signature of continental crust. These dioritic rocks are characterized by high MgO contents (3.3-5.0 wt%) and Mg# values (50-57) comparable to the estimates for the bulk continental crust at the same level of SiO2 contents (61.1-64.5 wt%). They also display continental crust-like trace element distribution patterns and uniformly enriched isotope compositions ([87Sr/86Sr]i = 0.7081 to 0.7094, ɛNd[t] = - 8.0 to - 6.9, and ɛHf[t]zircon = - 10.1 to - 5.0). Combining our results with published data from crystallization experiments, we propose that they were probably produced by fractional crystallization from a primitive andesite parent, rather than a primitive basalt parent. This parental magma may be geochemically similar to the roughly contemporaneous primitive andesites in the adjacent Malanshan area of northern Tibet. Our compilation of modern arc lavas shows that progressive fractional crystallization of primitive andesites is also required to reproduce the Mg# versus SiO2 array for natural arc magmas, in addition to differentiation of mantle-derived primitive basaltic magmas and/or mixing of basaltic with felsic magmas. Therefore, we emphasize that fractional crystallization of primitive andesitic magmas is potentially a frequent occurrence in arc crust and hence may play an important role in producing the high-Mg# signature of intermediate magmas comprising the continental crust.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Miliordos, Evangelos; Aprà, Edoardo; Xantheas, Sotiris S.

We establish a new estimate for the binding energy between two benzene molecules in the parallel-displaced (PD) conformation by systematically converging (i) the intra- and intermolecular geometry at the minimum, (ii) the expansion of the orbital basis set, and (iii) the level of electron correlation. The calculations were performed at the second-order Møller–Plesset perturbation (MP2) and the coupled cluster including singles, doubles, and a perturbative estimate of triples replacement [CCSD(T)] levels of electronic structure theory. At both levels of theory, by including results corrected for basis set superposition error (BSSE), we have estimated the complete basis set (CBS) limit bymore » employing the family of Dunning’s correlation-consistent polarized valence basis sets. The largest MP2 calculation was performed with the cc-pV6Z basis set (2772 basis functions), whereas the largest CCSD(T) calculation was with the cc-pV5Z basis set (1752 basis functions). The cluster geometries were optimized with basis sets up to quadruple-ζ quality, observing that both its intra- and intermolecular parts have practically converged with the triple-ζ quality sets. The use of converged geometries was found to play an important role for obtaining accurate estimates for the CBS limits. Our results demonstrate that the binding energies with the families of the plain (cc-pVnZ) and augmented (aug-cc-pVnZ) sets converge [within <0.01 kcal/mol for MP2 and <0.15 kcal/mol for CCSD(T)] to the same CBS limit. In addition, the average of the uncorrected and BSSE-corrected binding energies was found to converge to the same CBS limit much faster than either of the two constituents (uncorrected or BSSE-corrected binding energies). Due to the fact that the family of augmented basis sets (especially for the larger sets) causes serious linear dependency problems, the plain basis sets (for which no linear dependencies were found) are deemed as a more efficient and straightforward path for obtaining an accurate CBS limit. We considered extrapolations of the uncorrected (ΔE) and BSSE-corrected (ΔE cp) binding energies, their average value (ΔE ave), as well as the average of the latter over the plain and augmented sets (Δ~E ave) with the cardinal number of the basis set n. Our best estimate of the CCSD(T)/CBS limit for the π–π binding energy in the PD benzene dimer is D e = -2.65 ± 0.02 kcal/mol. The best CCSD(T)/cc-pV5Z calculated value is -2.62 kcal/mol, just 0.03 kcal/mol away from the CBS limit. For comparison, the MP2/CBS limit estimate is -5.00 ± 0.01 kcal/mol, demonstrating a 90% overbinding with respect to CCSD(T). Finally, the spin-component-scaled (SCS) MP2 variant was found to closely reproduce the CCSD(T) results for each basis set, while scaled opposite spin (SOS) MP2 yielded results that are too low when compared to CCSD(T).« less
Atomization Energies of SO and SO2; Basis Set Extrapolation Revisted

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Ricca, Alessandra; Arnold, James (Technical Monitor)

1998-01-01

The addition of tight functions to sulphur and extrapolation to the complete basis set limit are required to obtain accurate atomization energies. Six different extrapolation procedures are tried. The best atomization energies come from the series of basis sets that yield the most consistent results for all extrapolation techniques. In the variable alpha approach, alpha values larger than 4.5 or smaller than 3, appear to suggest that the extrapolation may not be reliable. It does not appear possible to determine a reliable basis set series using only the triple and quadruple zeta based sets. The scalar relativistic effects reduce the atomization of SO and SO2 by 0.34 and 0.81 kcal/mol, respectively, and clearly must be accounted for if a highly accurate atomization energy is to be computed. The magnitude of the core-valence (CV) contribution to the atomization is affected by missing diffuse valence functions. The CV contribution is much more stable if basis set superposition errors are accounted for. A similar study of SF, SF(+), and SF6 shows that the best family of basis sets varies with the nature of the S bonding.
Calculating Interaction Energies Using First Principle Theories: Consideration of Basis Set Superposition Error and Fragment Relaxation

ERIC Educational Resources Information Center

Bowen, J. Philip; Sorensen, Jennifer B.; Kirschner, Karl N.

2007-01-01

The analysis explains the basis set superposition error (BSSE) and fragment relaxation involved in calculating the interaction energies using various first principle theories. Interacting the correlated fragment and increasing the size of the basis set can help in decreasing the BSSE to a great extent.
Lysophosphatidic acid acts as a nutrient-derived developmental cue to regulate early hematopoiesis

PubMed Central

Li, Haisen; Yue, Rui; Wei, Bin; Gao, Ge; Du, Jiulin; Pei, Gang

2014-01-01

Primitive hematopoiesis occurs in the yolk sac blood islands during vertebrate embryogenesis, where abundant phosphatidylcholines (PC) are available as important nutrients for the developing embryo. However, whether these phospholipids also generate developmental cues to promote hematopoiesis is largely unknown. Here, we show that lysophosphatidic acid (LPA), a signaling molecule derived from PC, regulated hemangioblast formation and primitive hematopoiesis. Pharmacological and genetic blockage of LPA receptor 1 (LPAR1) or autotoxin (ATX), a secretory lysophospholipase that catalyzes LPA production, inhibited hematopoietic differentiation of mouse embryonic stem cells and impaired the formation of hemangioblasts. Mechanistic experiments revealed that the regulatory effect of ATX-LPA signaling was mediated by PI3K/Akt-Smad pathway. Furthermore, during in vivo embryogenesis in zebrafish, LPA functioned as a developmental cue for hemangioblast formation and primitive hematopoiesis. Taken together, we identified LPA as an important nutrient-derived developmental cue for primitive hematopoiesis as well as a novel mechanism of hemangioblast regulation. PMID:24829209
Lysophosphatidic acid acts as a nutrient-derived developmental cue to regulate early hematopoiesis.

PubMed

Li, Haisen; Yue, Rui; Wei, Bin; Gao, Ge; Du, Jiulin; Pei, Gang

2014-06-17

Primitive hematopoiesis occurs in the yolk sac blood islands during vertebrate embryogenesis, where abundant phosphatidylcholines (PC) are available as important nutrients for the developing embryo. However, whether these phospholipids also generate developmental cues to promote hematopoiesis is largely unknown. Here, we show that lysophosphatidic acid (LPA), a signaling molecule derived from PC, regulated hemangioblast formation and primitive hematopoiesis. Pharmacological and genetic blockage of LPA receptor 1 (LPAR1) or autotoxin (ATX), a secretory lysophospholipase that catalyzes LPA production, inhibited hematopoietic differentiation of mouse embryonic stem cells and impaired the formation of hemangioblasts. Mechanistic experiments revealed that the regulatory effect of ATX-LPA signaling was mediated by PI3K/Akt-Smad pathway. Furthermore, during in vivo embryogenesis in zebrafish, LPA functioned as a developmental cue for hemangioblast formation and primitive hematopoiesis. Taken together, we identified LPA as an important nutrient-derived developmental cue for primitive hematopoiesis as well as a novel mechanism of hemangioblast regulation. © 2014 The Authors.
On the evolution of sport.

PubMed

Lombardo, Michael P

2012-01-02

Sports have received little attention from evolutionary biologists. I argue that sport began as a way for men to develop the skills needed in primitive hunting and warfare, then developed to act primarily as a lek where athletes display and male spectators evaluate the qualities of potential allies and rivals. This hypothesis predicts that (1) the most popular modern male sports require the skills needed for success in male-male physical competition and primitive hunting and warfare; (2) champion male athletes obtain high status and thereby reproductive opportunities in ways that parallel those gained by successful primitive hunters and warriors; (3) men pay closer attention than do women to male sports so they can evaluate potential allies and rivals; and (4) male sports became culturally more important when opportunities to evaluate potential allies and rivals declined as both the survival importance of hunting and the proportion of men who experience combat decreased. The characteristics of primitive and modern sports are more consistent with these predictions than those generated by intersexual sexual selection theories of sport.
Fine structures of embryonic discs of in vivo post-hatching porcine blastocysts at the pre-primitive streak stage.

PubMed

Xia, P; Liu, Z; Qin, P

2011-04-01

To date, reports about the ultrastructure of porcine embryonic discs have not shown details of the primitive streak. The main objective of this study was to examine the ultrastructure of interior and exterior embryonic discs in porcine in vivo blastocysts with diameters of 1, 3 and 9 mm using scanning electron microscopy and transmission electron microscopy. For the first time, we revealed the ultrastructure of the unusual group of cells in the pre-primitive streak area of embryonic discs. The cells were 1-2 μm in diameter, had high electron density and contained abundant, free ribosomes and endoplasmic reticulum. These primitive streak cells could represent original embryonic stem cells or represent a stem cell niche. The results also showed three types of cells on the exterior surface of the embryonic discs. Moreover, our results provided morphological evidence of condensed nuclei in the smooth cells on the surface of the embryonic disc. © 2010 Blackwell Verlag GmbH.
Raft cultivation area extraction from high resolution remote sensing imagery by fusing multi-scale region-line primitive association features

NASA Astrophysics Data System (ADS)

Wang, Min; Cui, Qi; Wang, Jie; Ming, Dongping; Lv, Guonian

2017-01-01

In this paper, we first propose several novel concepts for object-based image analysis, which include line-based shape regularity, line density, and scale-based best feature value (SBV), based on the region-line primitive association framework (RLPAF). We then propose a raft cultivation area (RCA) extraction method for high spatial resolution (HSR) remote sensing imagery based on multi-scale feature fusion and spatial rule induction. The proposed method includes the following steps: (1) Multi-scale region primitives (segments) are obtained by image segmentation method HBC-SEG, and line primitives (straight lines) are obtained by phase-based line detection method. (2) Association relationships between regions and lines are built based on RLPAF, and then multi-scale RLPAF features are extracted and SBVs are selected. (3) Several spatial rules are designed to extract RCAs within sea waters after land and water separation. Experiments show that the proposed method can successfully extract different-shaped RCAs from HR images with good performance.
Experimental analysis of control mechanisms in somite segmentation in avian embryos. II. Reduction of material in the gastrula stages of the chick.

PubMed

Bellairs, R; Veini, M

1984-02-01

A new theory of control of somite segmentation in chick embryos is proposed. This supposses that tiny clusters of already programmed cells are present throughout the presumptive somite area at stage 4, but that in order to fulfill their destiny they probably depend on the addition of further cells from the primitive streak. Evidence is based on the two groups of experiments: a) Experiments involving transection across the primitive streak at various stages, (which results in a 'tail' which possesses mesodermal derivatives) and across the segmental plate (which results in a 'tail' lacking mesodermal derivatives). b) Experiments in which parts of embryos have been explanted with or without their primitive streak. It is suggested that the initial clusters of pre-programmed cells move further and further posteriorly, developing into somitomeres (the precursors of true somites) only as they receive re-inforcements from the primitive streak or, ultimately, from the tail bud.
Hair Cell Heterogeneity in the Goldfish Saccule

NASA Technical Reports Server (NTRS)

Saidel, William M.; Lanford, Pamela J.; Yan, Hong Y.; Popper, Arthur N.

1995-01-01

A set of cytological studies performed in the utricle and saccule of Astronotus ocellatus (Teleostei, Percomorphi, Cichlidae) identified two basic types of hair cells and others with some intermediate characteristics. This paper reports on applying the same techniques to the saccule of Carassius auratus (Teleostei, Otophysi, Cyprinidae) and demonstrates similar types of hair cells to those found in Astronotus. Since Carassius and Astronous are species of extreme taxonomic distance within the Euteteostei, two classes of mechanoreceptive hair cells are likely to represent the primitive condition for sensory receptors in the euteleost inner ear and perhaps in all bony fish ears.
In Situ Planetary Mineralogy Using Simultaneous Time Resolved Fluorescence and Raman Spectroscopy

NASA Technical Reports Server (NTRS)

Blacksberg, J.; Rossman , G.R.

2011-01-01

Micro-Raman spectroscopy is one of the primary methods of mineralogical analysis in the laboratory, and more recently in the field. Because of its versatility and ability to interrogate rocks in their natural form it is one of the front runners for the next generation of in situ instruments designed to explore adverse set of solar system bodies (e.g. Mars, Venus, the Moon, and other primitive bodies such as asteroids and the Martian moons Phobos and Deimos), as well as for pre-selection of rock and soil samples for potential cache and return missions.

Subauditory Speech Recognition based on EMG/EPG Signals

NASA Technical Reports Server (NTRS)

Jorgensen, Charles; Lee, Diana Dee; Agabon, Shane; Lau, Sonie (Technical Monitor)

2003-01-01

Sub-vocal electromyogram/electro palatogram (EMG/EPG) signal classification is demonstrated as a method for silent speech recognition. Recorded electrode signals from the larynx and sublingual areas below the jaw are noise filtered and transformed into features using complex dual quad tree wavelet transforms. Feature sets for six sub-vocally pronounced words are trained using a trust region scaled conjugate gradient neural network. Real time signals for previously unseen patterns are classified into categories suitable for primitive control of graphic objects. Feature construction, recognition accuracy and an approach for extension of the technique to a variety of real world application areas are presented.
Crystallization of SHARPIN using an automated two-dimensional grid screen for optimization.

PubMed

Stieglitz, Benjamin; Rittinger, Katrin; Haire, Lesley F

2012-07-01

An N-terminal fragment of human SHARPIN was recombinantly expressed in Escherichia coli, purified and crystallized. Crystals suitable for X-ray diffraction were obtained by a one-step optimization of seed dilution and protein concentration using a two-dimensional grid screen. The crystals belonged to the primitive tetragonal space group P4(3)2(1)2, with unit-cell parameters a = b = 61.55, c = 222.81 Å. Complete data sets were collected from native and selenomethionine-substituted protein crystals at 100 K to 2.6 and 2.0 Å resolution, respectively.
A Secure Communication Suite for Underwater Acoustic Sensor Networks

PubMed Central

Dini, Gianluca; Duca, Angelica Lo

2012-01-01

In this paper we describe a security suite for Underwater Acoustic Sensor Networks comprising both fixed and mobile nodes. The security suite is composed of a secure routing protocol and a set of cryptographic primitives aimed at protecting the confidentiality and the integrity of underwater communication while taking into account the unique characteristics and constraints of the acoustic channel. By means of experiments and simulations based on real data, we show that the suite is suitable for an underwater networking environment as it introduces limited, and sometimes negligible, communication and power consumption overhead. PMID:23202204
Exploration decisions and firms in the mineral industries

USGS Publications Warehouse

Attanasi, E.D.

1981-01-01

The purpose of this paper is to demonstrate how physical characteristics of deposits and results of past exploration enter future exploration decisions. A proposed decision model is presented that is consistent with a set of primitive probabilistic assumptions associated with deposit size distributions and discoverability. Analysis of optimal field exploration strategy showed the likely firm responses to alternative exploration taxes and effects on the distribution of future discoveries. Examination of the probabilistic elements of the decision model indicates that changes in firm expectations associated with the distribution of deposits cannot be totally offset by changes in economic variables. ?? 1981.
The effect of diffuse basis functions on valence bond structural weights

NASA Astrophysics Data System (ADS)

Galbraith, John Morrison; James, Andrew M.; Nemes, Coleen T.

2014-03-01

Structural weights and bond dissociation energies have been determined for H-F, H-X, and F-X molecules (-X = -OH, -NH2, and -CH3) at the valence bond self-consistent field (VBSCF) and breathing orbital valence bond (BOVB) levels of theory with the aug-cc-pVDZ and 6-31++G(d,p) basis sets. At the BOVB level, the aug-cc-pVDZ basis set yields a counterintuitive ordering of ionic structural weights when the initial heavy atom s-type basis functions are included. For H-F, H-OH, and F-X, the ordering follows chemical intuition when these basis functions are not included. These counterintuitive weights are shown to be a result of the diffuse polarisation function on one VB fragment being spatially located, in part, on the other VB fragment. Except in the case of F-CH3, this problem is corrected with the 6-31++G(d,p) basis set. The initial heavy atom s-type functions are shown to make an important contribution to the VB orbitals and bond dissociation energies and, therefore, should not be excluded. It is recommended to not use diffuse basis sets in valence bond calculations unless absolutely necessary. If diffuse basis sets are needed, the 6-31++G(d,p) basis set should be used with caution and the structural weights checked against VBSCF values which have been shown to follow the expected ordering in all cases.
Oxygen reservoirs in the early solar nebula inferred from an Allende CAI.

PubMed

Young, E D; Russell, S S

1998-10-16

Ultraviolet laser microprobe analyses of a calcium-aluminum-rich inclusion (CAI) from the Allende meteorite suggest that a line with a slope of exactly 1.00 on a plot of delta (17)O against delta (18)O represents the primitive oxygen isotope reservoir of the early solar nebula. Most meteorites are enriched in (17)O and (18)O relative to this line, and their oxygen isotope ratios can be explained by mass fractionation or isotope exchange initiating from the primitive reservoir. These data establish a link between the oxygen isotopic composition of the abundant ordinary chondrites and the primitive (16)O-rich component of CAIs.
Oxygen reservoirs in the early solar nebula inferred from an allende CAI

PubMed

Young; Russell

1998-10-16

Ultraviolet laser microprobe analyses of a calcium-aluminum-rich inclusion (CAI) from the Allende meteorite suggest that a line with a slope of exactly 1.00 on a plot of delta17O against delta18O represents the primitive oxygen isotope reservoir of the early solar nebula. Most meteorites are enriched in 17O and 18O relative to this line, and their oxygen isotope ratios can be explained by mass fractionation or isotope exchange initiating from the primitive reservoir. These data establish a link between the oxygen isotopic composition of the abundant ordinary chondrites and the primitive 16O-rich component of CAIs.
Interstellar chemistry recorded in organic matter from primitive meteorites.

PubMed

Busemann, Henner; Young, Andrea F; Alexander, Conel M O'd; Hoppe, Peter; Mukhopadhyay, Sujoy; Nittler, Larry R

2006-05-05

Organic matter in extraterrestrial materials has isotopic anomalies in hydrogen and nitrogen that suggest an origin in the presolar molecular cloud or perhaps in the protoplanetary disk. Interplanetary dust particles are generally regarded as the most primitive solar system matter available, in part because until recently they exhibited the most extreme isotope anomalies. However, we show that hydrogen and nitrogen isotopic compositions in carbonaceous chondrite organic matter reach and even exceed those found in interplanetary dust particles. Hence, both meteorites (originating from the asteroid belt) and interplanetary dust particles (possibly from comets) preserve primitive organics that were a component of the original building blocks of the solar system.
A Partial Skeleton of the Fossil Great Ape Hispanopithecus laietanus from Can Feu and the Mosaic Evolution of Crown-Hominoid Positional Behaviors

PubMed Central

Alba, David M.; Almécija, Sergio; Casanovas-Vilar, Isaac; Méndez, Josep M.; Moyà-Solà, Salvador

2012-01-01

The extinct dryopithecine Hispanopithecus (Primates: Hominidae), from the Late Miocene of Europe, is the oldest fossil great ape displaying an orthograde body plan coupled with unambiguous suspensory adaptations. On the basis of hand morphology, Hispanopithecus laietanus has been considered to primitively retain adaptations to above-branch quadrupedalism–thus displaying a locomotor repertoire unknown among extant or fossil hominoids, which has been considered unlikely by some researchers. Here we describe a partial skeleton of H. laietanus from the Vallesian (MN9) locality of Can Feu 1 (Vallès-Penedès Basin, NE Iberian Peninsula), with an estimated age of 10.0-9.7 Ma. It includes dentognathic and postcranial remains of a single, female adult individual, with an estimated body mass of 22–25 kg. The postcranial remains of the rib cage, shoulder girdle and forelimb show a mixture of monkey-like and modern-hominoid-like features. In turn, the proximal morphology of the ulna–most completely preserved in the Can Feu skeleton than among previously-available remains–indicates the possession of an elbow complex suitable for preserving stability along the full range of flexion/extension and enabling a broad range of pronation/supination. Such features, suitable for suspensory behaviors, are however combined with an olecranon morphology that is functionally related to quadrupedalism. Overall, when all the available postcranial evidence for H. laietanus is considered, it emerges that this taxon displayed a locomotor repertoire currently unknown among other apes (extant or extinct alike), uniquely combining suspensory-related features with primitively-retained adaptations to above-branch palmigrady. Despite phylogenetic uncertainties, Hispanopithecus is invariably considered an extinct member of the great-ape-and-human clade. Therefore, the combination of quadrupedal and suspensory adaptations in this Miocene crown hominoid clearly evidences the mosaic nature of locomotor evolution in the Hominoidea, as well as the impossibility to reconstruct the ancestral locomotor repertoires for crown hominoid subclades on the basis of extant taxa alone. PMID:22761844
Fractions We Cannot Ignore: The Nonsymbolic Ratio Congruity Effect

ERIC Educational Resources Information Center

Matthews, Percival G.; Lewis, Mark R.

2017-01-01

Although many researchers theorize that primitive numerosity processing abilities may lay the foundation for whole number concepts, other classes of numbers, like fractions, are sometimes assumed to be inaccessible to primitive architectures. This research presents evidence that the automatic processing of nonsymbolic magnitudes affects processing…
Intuitive Test Theory. CSE Report 631

ERIC Educational Resources Information Center

Braun, Henry I.; Mislevy, Robert J.

2004-01-01

Psychologist Andrea diSessa coined the term "phenomenological primitives", or p-prims, to talk about nonexperts' reasoning about physical situations. P-prims are primitive in the sense that they stand without significant explanatory substructure or explanation. Examples are "Heavy objects fall faster than light objects" and "Continuing force is…
On the effects of basis set truncation and electron correlation in conformers of 2-hydroxy-acetamide

NASA Astrophysics Data System (ADS)

Szarecka, A.; Day, G.; Grout, P. J.; Wilson, S.

Ab initio quantum chemical calculations have been used to study the differences in energy between two gas phase conformers of the 2-hydroxy-acetamide molecule that possess intramolecular hydrogen bonding. In particular, rotation around the central C-C bond has been considered as a factor determining the structure of the hydrogen bond and stabilization of the conformer. Energy calculations include full geometiy optimization using both the restricted matrix Hartree-Fock model and second-order many-body perturbation theory with a number of commonly used basis sets. The basis sets employed ranged from the minimal STO-3G set to [`]split-valence' sets up to 6-31 G. The effects of polarization functions were also studied. The results display a strong basis set dependence.
Accurate and balanced anisotropic Gaussian type orbital basis sets for atoms in strong magnetic fields.

PubMed

Zhu, Wuming; Trickey, S B

2017-12-28

In high magnetic field calculations, anisotropic Gaussian type orbital (AGTO) basis functions are capable of reconciling the competing demands of the spherically symmetric Coulombic interaction and cylindrical magnetic (B field) confinement. However, the best available a priori procedure for composing highly accurate AGTO sets for atoms in a strong B field [W. Zhu et al., Phys. Rev. A 90, 022504 (2014)] yields very large basis sets. Their size is problematical for use in any calculation with unfavorable computational cost scaling. Here we provide an alternative constructive procedure. It is based upon analysis of the underlying physics of atoms in B fields that allow identification of several principles for the construction of AGTO basis sets. Aided by numerical optimization and parameter fitting, followed by fine tuning of fitting parameters, we devise formulae for generating accurate AGTO basis sets in an arbitrary B field. For the hydrogen iso-electronic sequence, a set depends on B field strength, nuclear charge, and orbital quantum numbers. For multi-electron systems, the basis set formulae also include adjustment to account for orbital occupations. Tests of the new basis sets for atoms H through C (1 ≤ Z ≤ 6) and ions Li + , Be + , and B + , in a wide B field range (0 ≤ B ≤ 2000 a.u.), show an accuracy better than a few μhartree for single-electron systems and a few hundredths to a few mHs for multi-electron atoms. The relative errors are similar for different atoms and ions in a large B field range, from a few to a couple of tens of millionths, thereby confirming rather uniform accuracy across the nuclear charge Z and B field strength values. Residual basis set errors are two to three orders of magnitude smaller than the electronic correlation energies in multi-electron atoms, a signal of the usefulness of the new AGTO basis sets in correlated wavefunction or density functional calculations for atomic and molecular systems in an external strong B field.
Accurate and balanced anisotropic Gaussian type orbital basis sets for atoms in strong magnetic fields

NASA Astrophysics Data System (ADS)

Zhu, Wuming; Trickey, S. B.

2017-12-01

In high magnetic field calculations, anisotropic Gaussian type orbital (AGTO) basis functions are capable of reconciling the competing demands of the spherically symmetric Coulombic interaction and cylindrical magnetic (B field) confinement. However, the best available a priori procedure for composing highly accurate AGTO sets for atoms in a strong B field [W. Zhu et al., Phys. Rev. A 90, 022504 (2014)] yields very large basis sets. Their size is problematical for use in any calculation with unfavorable computational cost scaling. Here we provide an alternative constructive procedure. It is based upon analysis of the underlying physics of atoms in B fields that allow identification of several principles for the construction of AGTO basis sets. Aided by numerical optimization and parameter fitting, followed by fine tuning of fitting parameters, we devise formulae for generating accurate AGTO basis sets in an arbitrary B field. For the hydrogen iso-electronic sequence, a set depends on B field strength, nuclear charge, and orbital quantum numbers. For multi-electron systems, the basis set formulae also include adjustment to account for orbital occupations. Tests of the new basis sets for atoms H through C (1 ≤ Z ≤ 6) and ions Li+, Be+, and B+, in a wide B field range (0 ≤ B ≤ 2000 a.u.), show an accuracy better than a few μhartree for single-electron systems and a few hundredths to a few mHs for multi-electron atoms. The relative errors are similar for different atoms and ions in a large B field range, from a few to a couple of tens of millionths, thereby confirming rather uniform accuracy across the nuclear charge Z and B field strength values. Residual basis set errors are two to three orders of magnitude smaller than the electronic correlation energies in multi-electron atoms, a signal of the usefulness of the new AGTO basis sets in correlated wavefunction or density functional calculations for atomic and molecular systems in an external strong B field.
The application of midbond basis sets in efficient and accurate ab initio calculations on electron-deficient systems

NASA Astrophysics Data System (ADS)

Choi, Chu Hwan

2002-09-01

Ab initio chemistry has shown great promise in reproducing experimental results and in its predictive power. The many complicated computational models and methods seem impenetrable to an inexperienced scientist, and the reliability of the results is not easily interpreted. The application of midbond orbitals is used to determine a general method for use in calculating weak intermolecular interactions, especially those involving electron-deficient systems. Using the criteria of consistency, flexibility, accuracy and efficiency we propose a supermolecular method of calculation using the full counterpoise (CP) method of Boys and Bernardi, coupled with Moller-Plesset (MP) perturbation theory as an efficient electron-correlative method. We also advocate the use of the highly efficient and reliable correlation-consistent polarized valence basis sets of Dunning. To these basis sets, we add a general set of midbond orbitals and demonstrate greatly enhanced efficiency in the calculation. The H2-H2 dimer is taken as a benchmark test case for our method, and details of the computation are elaborated. Our method reproduces with great accuracy the dissociation energies of other previous theoretical studies. The added efficiency of extending the basis sets with conventional means is compared with the performance of our midbond-extended basis sets. The improvement found with midbond functions is notably superior in every case tested. Finally, a novel application of midbond functions to the BH5 complex is presented. The system is an unusual van der Waals complex. The interaction potential curves are presented for several standard basis sets and midbond-enhanced basis sets, as well as for two popular, alternative correlation methods. We report that MP theory appears to be superior to coupled-cluster (CC) in speed, while it is more stable than B3LYP, a widely-used density functional theory (DFT). Application of our general method yields excellent results for the midbond basis sets. Again they prove superior to conventional extended basis sets. Based on these results, we recommend our general approach as a highly efficient, accurate method for calculating weakly interacting systems.
Tipifarnib in Treating Young Patients With Recurrent or Progressive High-Grade Glioma, Medulloblastoma, Primitive Neuroectodermal Tumor, or Brain Stem Glioma

ClinicalTrials.gov

2013-10-07

Childhood High-grade Cerebral Astrocytoma; Childhood Oligodendroglioma; Recurrent Childhood Brain Stem Glioma; Recurrent Childhood Cerebellar Astrocytoma; Recurrent Childhood Cerebral Astrocytoma; Recurrent Childhood Medulloblastoma; Recurrent Childhood Supratentorial Primitive Neuroectodermal Tumor; Recurrent Childhood Visual Pathway and Hypothalamic Glioma
Mathematical Observations: The Genesis of Mathematical Discovery in the Classroom

ERIC Educational Resources Information Center

Beaugris, Louis M.

2013-01-01

In his "Proofs and Refutations," Lakatos identifies the "Primitive Conjecture" as the first stage in the pattern of mathematical discovery. In this article, I am interested in ways of reaching the "Primitive Conjecture" stage in an undergraduate classroom. I adapted Realistic Mathematics Education methods in an…
Multiphase Complete Exchange: A Theoretical Analysis

DTIC Science & Technology

1993-08-01

Birkhiuser, Boston, 1984. 24 [9] C-T. Ho and M. T. Raghunath . Efficient communication primitives on hy- percubes. In Proc. 6th. DMCC, pages 390-397...1991. [10] C-T. Ho and M. T. Raghunath . Efficient communication primitives on hy- percubes. Technical Report RJ 7932 (72915), IBM, T. J. Watson Center
36 CFR 294.23 - Road construction and reconstruction in Idaho Roadless Areas.

Code of Federal Regulations, 2013 CFR

2013-07-01

... reconstruction in Idaho Roadless Areas. (a) Wild Land Recreation, Special Areas of Historic or Tribal... designated as Wild Land Recreation, Special Areas of Historic or Tribal Significance, or Primitive. However... Wild Land Recreation, Special Area of Historic or Tribal Significance, or Primitive if pursuant to...
36 CFR 294.23 - Road construction and reconstruction in Idaho Roadless Areas.

Code of Federal Regulations, 2014 CFR

2014-07-01

... reconstruction in Idaho Roadless Areas. (a) Wild Land Recreation, Special Areas of Historic or Tribal... designated as Wild Land Recreation, Special Areas of Historic or Tribal Significance, or Primitive. However... Wild Land Recreation, Special Area of Historic or Tribal Significance, or Primitive if pursuant to...

36 CFR 294.23 - Road construction and reconstruction in Idaho Roadless Areas.

Code of Federal Regulations, 2012 CFR

2012-07-01

... reconstruction in Idaho Roadless Areas. (a) Wild Land Recreation, Special Areas of Historic or Tribal... designated as Wild Land Recreation, Special Areas of Historic or Tribal Significance, or Primitive. However... Wild Land Recreation, Special Area of Historic or Tribal Significance, or Primitive if pursuant to...
Nilpotent representations of classical quantum groups at roots of unity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abe, Yuuki; Nakashima, Toshiki

2005-11-01

Properly specializing the parameters in 'Schnizer modules', for types A,B,C, and D, we get its unique primitive vector. Then we show that the module generated by the primitive vector is an irreducible highest weight module of finite dimensional classical quantum groups at roots of unity.
Could 433 Eros have a Primitive Achondritic Composition?

NASA Technical Reports Server (NTRS)

Burbine, T. H.; McCoy, T. J.; Nittler, L. R.; Bell, J. F., III

2001-01-01

One of the goals of the NEAR (Near Earth Asteroid Rendezvous) mission to 433 Eros is to determine if it has a meteoritic analog. We are currently investigating if primitive achondrites have bulk compositions and spectral properties similar to Eros. Additional information is contained in the original extended abstract.
A Test of Durkheim's Theory of Suicide in Primitive Societies.

ERIC Educational Resources Information Center

Lester, David

1992-01-01

Classified primitive societies as high, moderate, or low on independent measures of social integration and social regulation to test Durkheim's theory of suicide. Estimated frequency of suicide did not differ between those societies predicted to have high, moderate, and low suicide rates. Durkheim's theory was not confirmed. (Author/NB)
Basis set limit and systematic errors in local-orbital based all-electron DFT

NASA Astrophysics Data System (ADS)

Blum, Volker; Behler, Jörg; Gehrke, Ralf; Reuter, Karsten; Scheffler, Matthias

2006-03-01

With the advent of efficient integration schemes,^1,2 numeric atom-centered orbitals (NAO's) are an attractive basis choice in practical density functional theory (DFT) calculations of nanostructured systems (surfaces, clusters, molecules). Though all-electron, the efficiency of practical implementations promises to be on par with the best plane-wave pseudopotential codes, while having a noticeably higher accuracy if required: Minimal-sized effective tight-binding like calculations and chemically accurate all-electron calculations are both possible within the same framework; non-periodic and periodic systems can be treated on equal footing; and the localized nature of the basis allows in principle for O(N)-like scaling. However, converging an observable with respect to the basis set is less straightforward than with competing systematic basis choices (e.g., plane waves). We here investigate the basis set limit of optimized NAO basis sets in all-electron calculations, using as examples small molecules and clusters (N2, Cu2, Cu4, Cu10). meV-level total energy convergence is possible using <=50 basis functions per atom in all cases. We also find a clear correlation between the errors which arise from underconverged basis sets, and the system geometry (interatomic distance). ^1 B. Delley, J. Chem. Phys. 92, 508 (1990), ^2 J.M. Soler et al., J. Phys.: Condens. Matter 14, 2745 (2002).
Interaction among minerals, organics and water in comets: insights from Antarctic micrometeorites

NASA Astrophysics Data System (ADS)

Nagahara, Hiroko; Noguchi, Takaaki; Yabuta, Hikaru; Itoh, Shoichi; Sakamoto, Naoya; Mitsunari, Takuya; Okubo, Aya; Okazaki, Ryuji; Nakamura, Tomoki; Tachibana, Shogo; Terada, Kentaro; Ebihara, Mitsuru; Imae, Naoya; Kimura, Makoto

2016-04-01

The evolution and interaction of inorganic materials and organic materials are one of the crucial issues of space science, which is also a main topic of current planetary missions. In order to clarify the early stage of evo-lution of primitive materials in the solar system, we have carried out a comprehensive study on micrometeorites collected from the Antarctica virgin snow with SEM, TEM, Carbon-, N-, and O-XANES, and SIMS. On the basis of observation, we estimate the primary materials and the sequence of aqueous reaction in the inorganic and organic materials. The most primitive materials are GEMS (amorphous silicate with Fe-metal and sulfide), small olivine and low-Ca pyroxene, and pyrrhotite, which are embedded in organic materials. The or-ganic materials are macromolecules being rich in C=O groups with subordinate amount of C≡N and/or C=N-C groups, and they accompany D and 15N enrichments. Due to the heavy hydrogen and nitrogen isotopic composi-tions, the organics are estimated to be originated at very low temperature in the molecular cloud or a prestellar environment, which also generated various organic molecules. The aqueous alteration reaction started at first in organic materials, where N-heterocycle, δD, and δ15N are lost and the organics become aromatic-rich. GEMS altered next, where metallic Fe dissolved into water to form Fe-rich saponite remaining Mg-rich amorphous silicate (Stage I). The aromaticity of the organics increases, and the chemical nature of organics becomes close to insoluble organic materials in primitive chondrites. Then, sulfide in GEMS, small olivine and low-Ca pyroxene grains, and Fe-rich saponite react with water to form Mg-rich saponite and Fe-hydroxide (Stage II). Sulfur may have been incorporated into phyllosilicate and/or organics or flew away. Finally, heterogeneous phyllosilicates at Stage II were homogenized to be Mg-rich saponite with formation of carbonate and loss of organics (Stage III). Carbon to form carbonate were supplied from organics or carbon dioxide and/or methane ice. Finally, the assemblage of micrometeorites becomes Mg-saponite, magnetite, and carbonates, of which mineral assemblage and chemical compositions are very similar to those of primitive carbonaceous chondrites. Stages I and II should have taken place at ~0 °C and almost instantaneously, probably in hours to days, in order to prevent total aqueous alteration of silicates. Therefore, most plausible process would be transient heat-ing by an impact. On the other hand, Stage III was at a little higher temperature in order to homogenize Mg and Fe in heterogeneous phyllosilicates and/or lasted for a little longer duration. A possible process may be either by a shock or approaching of cometary bodies to the Sun. However, we should evaluate the temperature and dura-tion very carefully, because the Rosetta mission showed us extremely porous nature of comets. It should be noted that the final products of aqueous reactions shown in the present study are the same as those of primitive carbonaceous chondrites. More compact nature of chondrites and probably higher temperature by short-lived radio-isotopes resulted in pervasive water flow in the bodies and through alteration of silicates into phyllosilicates.
Auxiliary basis sets for density-fitting second-order Møller-Plesset perturbation theory: weighted core-valence correlation consistent basis sets for the 4d elements Y-Pd.

PubMed

Hill, J Grant

2013-09-30

Auxiliary basis sets (ABS) specifically matched to the cc-pwCVnZ-PP and aug-cc-pwCVnZ-PP orbital basis sets (OBS) have been developed and optimized for the 4d elements Y-Pd at the second-order Møller-Plesset perturbation theory level. Calculation of the core-valence electron correlation energies for small to medium sized transition metal complexes demonstrates that the error due to the use of these new sets in density fitting is three to four orders of magnitude smaller than that due to the OBS incompleteness, and hence is considered negligible. Utilizing the ABSs in the resolution-of-the-identity component of explicitly correlated calculations is also investigated, where it is shown that i-type functions are important to produce well-controlled errors in both integrals and correlation energy. Benchmarking at the explicitly correlated coupled cluster with single, double, and perturbative triple excitations level indicates impressive convergence with respect to basis set size for the spectroscopic constants of 4d monofluorides; explicitly correlated double-ζ calculations produce results close to conventional quadruple-ζ, and triple-ζ is within chemical accuracy of the complete basis set limit. Copyright © 2013 Wiley Periodicals, Inc.
Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Gaigong; Lin, Lin, E-mail: linlin@math.berkeley.edu; Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720

Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn–Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically improvable for total energy calculations. In this paper, we present the calculation of atomic forces, which can be used for a range of applications such as geometry optimization and molecular dynamics simulation. We demonstrate that, under mild assumptions, the computation of atomic forces can scale nearly linearly with the number of atoms in the system using the adaptive local basis set. We quantify the accuracy of the Hellmann–Feynmanmore » forces for a range of physical systems, benchmarked against converged planewave calculations, and find that the adaptive local basis set is efficient for both force and energy calculations, requiring at most a few tens of basis functions per atom to attain accuracies required in practice. Since the adaptive local basis set has implicit dependence on atomic positions, Pulay forces are in general nonzero. However, we find that the Pulay force is numerically small and systematically decreasing with increasing basis completeness, so that the Hellmann–Feynman force is sufficient for basis sizes of a few tens of basis functions per atom. We verify the accuracy of the computed forces in static calculations of quasi-1D and 3D disordered Si systems, vibration calculation of a quasi-1D Si system, and molecular dynamics calculations of H{sub 2} and liquid Al–Si alloy systems, where we show systematic convergence to benchmark planewave results and results from the literature.« less
Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations

DOE PAGES

Zhang, Gaigong; Lin, Lin; Hu, Wei; ...

2017-01-27

Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn–Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically improvable for total energy calculations. In this paper, we present the calculation of atomic forces, which can be used for a range of applications such as geometry optimization and molecular dynamics simulation. We demonstrate that, under mild assumptions, the computation of atomic forces can scale nearly linearly with the number of atoms in the system using the adaptive local basis set. We quantify the accuracy of the Hellmann–Feynmanmore » forces for a range of physical systems, benchmarked against converged planewave calculations, and find that the adaptive local basis set is efficient for both force and energy calculations, requiring at most a few tens of basis functions per atom to attain accuracies required in practice. Sin ce the adaptive local basis set has implicit dependence on atomic positions, Pulay forces are in general nonzero. However, we find that the Pulay force is numerically small and systematically decreasing with increasing basis completeness, so that the Hellmann–Feynman force is sufficient for basis sizes of a few tens of basis functions per atom. We verify the accuracy of the computed forces in static calculations of quasi-1D and 3D disordered Si systems, vibration calculation of a quasi-1D Si system, and molecular dynamics calculations of H 2 and liquid Al–Si alloy systems, where we show systematic convergence to benchmark planewave results and results from the literature.« less
Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Gaigong; Lin, Lin; Hu, Wei

Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn–Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically improvable for total energy calculations. In this paper, we present the calculation of atomic forces, which can be used for a range of applications such as geometry optimization and molecular dynamics simulation. We demonstrate that, under mild assumptions, the computation of atomic forces can scale nearly linearly with the number of atoms in the system using the adaptive local basis set. We quantify the accuracy of the Hellmann–Feynmanmore » forces for a range of physical systems, benchmarked against converged planewave calculations, and find that the adaptive local basis set is efficient for both force and energy calculations, requiring at most a few tens of basis functions per atom to attain accuracies required in practice. Sin ce the adaptive local basis set has implicit dependence on atomic positions, Pulay forces are in general nonzero. However, we find that the Pulay force is numerically small and systematically decreasing with increasing basis completeness, so that the Hellmann–Feynman force is sufficient for basis sizes of a few tens of basis functions per atom. We verify the accuracy of the computed forces in static calculations of quasi-1D and 3D disordered Si systems, vibration calculation of a quasi-1D Si system, and molecular dynamics calculations of H 2 and liquid Al–Si alloy systems, where we show systematic convergence to benchmark planewave results and results from the literature.« less
Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations

NASA Astrophysics Data System (ADS)

Zhang, Gaigong; Lin, Lin; Hu, Wei; Yang, Chao; Pask, John E.

2017-04-01

Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn-Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically improvable for total energy calculations. In this paper, we present the calculation of atomic forces, which can be used for a range of applications such as geometry optimization and molecular dynamics simulation. We demonstrate that, under mild assumptions, the computation of atomic forces can scale nearly linearly with the number of atoms in the system using the adaptive local basis set. We quantify the accuracy of the Hellmann-Feynman forces for a range of physical systems, benchmarked against converged planewave calculations, and find that the adaptive local basis set is efficient for both force and energy calculations, requiring at most a few tens of basis functions per atom to attain accuracies required in practice. Since the adaptive local basis set has implicit dependence on atomic positions, Pulay forces are in general nonzero. However, we find that the Pulay force is numerically small and systematically decreasing with increasing basis completeness, so that the Hellmann-Feynman force is sufficient for basis sizes of a few tens of basis functions per atom. We verify the accuracy of the computed forces in static calculations of quasi-1D and 3D disordered Si systems, vibration calculation of a quasi-1D Si system, and molecular dynamics calculations of H2 and liquid Al-Si alloy systems, where we show systematic convergence to benchmark planewave results and results from the literature.
Benchmark of Ab Initio Bethe-Salpeter Equation Approach with Numeric Atom-Centered Orbitals

NASA Astrophysics Data System (ADS)

Liu, Chi; Kloppenburg, Jan; Kanai, Yosuke; Blum, Volker

The Bethe-Salpeter equation (BSE) approach based on the GW approximation has been shown to be successful for optical spectra prediction of solids and recently also for small molecules. We here present an all-electron implementation of the BSE using numeric atom-centered orbital (NAO) basis sets. In this work, we present benchmark of BSE implemented in FHI-aims for low-lying excitation energies for a set of small organic molecules, the well-known Thiel's set. The difference between our implementation (using an analytic continuation of the GW self-energy on the real axis) and the results generated by a fully frequency dependent GW treatment on the real axis is on the order of 0.07 eV for the benchmark molecular set. We study the convergence behavior to the complete basis set limit for excitation spectra, using a group of valence correlation consistent NAO basis sets (NAO-VCC-nZ), as well as for standard NAO basis sets for ground state DFT with extended augmentation functions (NAO+aug). The BSE results and convergence behavior are compared to linear-response time-dependent DFT, where excellent numerical convergence is shown for NAO+aug basis sets.
Kinetic balance and variational bounds failure in the solution of the Dirac equation in a finite Gaussian basis set

NASA Technical Reports Server (NTRS)

Dyall, Kenneth G.; Faegri, Knut, Jr.

1990-01-01

The paper investigates bounds failure in calculations using Gaussian basis sets for the solution of the one-electron Dirac equation for the 2p1/2 state of Hg(79+). It is shown that bounds failure indicates inadequacies in the basis set, both in terms of the exponent range and the number of functions. It is also shown that overrepresentation of the small component space may lead to unphysical results. It is concluded that it is important to use matched large and small component basis sets with an adequate size and exponent range.
Ab Initio and Analytic Intermolecular Potentials for Ar-CF₄

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vayner, Grigoriy; Alexeev, Yuri; Wang, Jiangping

2006-03-09

Ab initio calculations at the CCSD(T) level of theory are performed to characterize the Ar + CF ₄ intermolecular potential. Extensive calculations, with and without a correction for basis set superposition error (BSSE), are performed with the cc-pVTZ basis set. Additional calculations are performed with other correlation consistent (cc) basis sets to extrapolate the Ar---CF₄potential energy minimum to the complete basis set (CBS) limit. Both the size of the basis set and BSSE have substantial effects on the Ar + CF₄ potential. Calculations with the cc-pVTZ basis set and without a BSSE correction, appear to give a good representation ofmore » the potential at the CBS limit and with a BSSE correction. In addition, MP2 theory is found to give potential energies in very good agreement with those determined by the much higher level CCSD(T) theory. Two analytic potential energy functions were determined for Ar + CF₄by fitting the cc-pVTZ calculations both with and without a BSSE correction. These analytic functions were written as a sum of two body potentials and excellent fits to the ab initio potentials were obtained by representing each two body interaction as a Buckingham potential.« less
On the performance of large Gaussian basis sets for the computation of total atomization energies

NASA Technical Reports Server (NTRS)

Martin, J. M. L.

1992-01-01

The total atomization energies of a number of molecules have been computed using an augmented coupled-cluster method and (5s4p3d2f1g) and 4s3p2d1f) atomic natural orbital (ANO) basis sets, as well as the correlation consistent valence triple zeta plus polarization (cc-pVTZ) correlation consistent valence quadrupole zeta plus polarization (cc-pVQZ) basis sets. The performance of ANO and correlation consistent basis sets is comparable throughout, although the latter can result in significant CPU time savings. Whereas the inclusion of g functions has significant effects on the computed Sigma D(e) values, chemical accuracy is still not reached for molecules involving multiple bonds. A Gaussian-1 (G) type correction lowers the error, but not much beyond the accuracy of the G1 model itself. Using separate corrections for sigma bonds, pi bonds, and valence pairs brings down the mean absolute error to less than 1 kcal/mol for the spdf basis sets, and about 0.5 kcal/mol for the spdfg basis sets. Some conclusions on the success of the Gaussian-1 and Gaussian-2 models are drawn.
Morphological decomposition of 2-D binary shapes into convex polygons: a heuristic algorithm.

PubMed

Xu, J

2001-01-01

In many morphological shape decomposition algorithms, either a shape can only be decomposed into shape components of extremely simple forms or a time consuming search process is employed to determine a decomposition. In this paper, we present a morphological shape decomposition algorithm that decomposes a two-dimensional (2-D) binary shape into a collection of convex polygonal components. A single convex polygonal approximation for a given image is first identified. This first component is determined incrementally by selecting a sequence of basic shape primitives. These shape primitives are chosen based on shape information extracted from the given shape at different scale levels. Additional shape components are identified recursively from the difference image between the given image and the first component. Simple operations are used to repair certain concavities caused by the set difference operation. The resulting hierarchical structure provides descriptions for the given shape at different detail levels. The experiments show that the decomposition results produced by the algorithm seem to be in good agreement with the natural structures of the given shapes. The computational cost of the algorithm is significantly lower than that of an earlier search-based convex decomposition algorithm. Compared to nonconvex decomposition algorithms, our algorithm allows accurate approximations for the given shapes at low coding costs.
Unique Dental Morphology of Homo floresiensis and Its Evolutionary Implications

PubMed Central

Kaifu, Yousuke; Kono, Reiko T.; Sutikna, Thomas; Saptomo, Emanuel Wahyu; Jatmiko

2015-01-01

Homo floresiensis is an extinct, diminutive hominin species discovered in the Late Pleistocene deposits of Liang Bua cave, Flores, eastern Indonesia. The nature and evolutionary origins of H. floresiensis’ unique physical characters have been intensively debated. Based on extensive comparisons using linear metric analyses, crown contour analyses, and other trait-by-trait morphological comparisons, we report here that the dental remains from multiple individuals indicate that H. floresiensis had primitive canine-premolar and advanced molar morphologies, a combination of dental traits unknown in any other hominin species. The primitive aspects are comparable to H. erectus from the Early Pleistocene, whereas some of the molar morphologies are more progressive even compared to those of modern humans. This evidence contradicts the earlier claim of an entirely modern human-like dental morphology of H. floresiensis, while at the same time does not support the hypothesis that H. floresiensis originated from a much older H. habilis or Australopithecus-like small-brained hominin species currently unknown in the Asian fossil record. These results are however consistent with the alternative hypothesis that H. floresiensis derived from an earlier Asian Homo erectus population and experienced substantial body and brain size dwarfism in an isolated insular setting. The dentition of H. floresiensis is not a simple, scaled-down version of earlier hominins. PMID:26624612
An Efficient Method for Automatic Road Extraction Based on Multiple Features from LiDAR Data

NASA Astrophysics Data System (ADS)

Li, Y.; Hu, X.; Guan, H.; Liu, P.

2016-06-01

The road extraction in urban areas is difficult task due to the complicated patterns and many contextual objects. LiDAR data directly provides three dimensional (3D) points with less occlusions and smaller shadows. The elevation information and surface roughness are distinguishing features to separate roads. However, LiDAR data has some disadvantages are not beneficial to object extraction, such as the irregular distribution of point clouds and lack of clear edges of roads. For these problems, this paper proposes an automatic road centerlines extraction method which has three major steps: (1) road center point detection based on multiple feature spatial clustering for separating road points from ground points, (2) local principal component analysis with least squares fitting for extracting the primitives of road centerlines, and (3) hierarchical grouping for connecting primitives into complete roads network. Compared with MTH (consist of Mean shift algorithm, Tensor voting, and Hough transform) proposed in our previous article, this method greatly reduced the computational cost. To evaluate the proposed method, the Vaihingen data set, a benchmark testing data provided by ISPRS for "Urban Classification and 3D Building Reconstruction" project, was selected. The experimental results show that our method achieve the same performance by less time in road extraction using LiDAR data.
G-autonomy of EEG recordings of psychotic patients undergoing the primitive expression form of dance therapy

NASA Astrophysics Data System (ADS)

Ventouras, E.-C.; Lardi, I.; Dimitriou, S.; Margariti, A.; Chondraki, P.; Kalatzis, I.; Economou, N.-T.; Tsekou, H.; Paparrigopoulos, T.; Ktonas, P. Y.

2015-09-01

Primitive expression (PE) is a form of dance therapy (DT) that involves an interaction of ethologically and socially based forms which are supplied for re-enactment. Brain connectivity has been measured in electroencephalographic (EEG) data of patients with schizophrenia undergoing PE DT, using the correlation coefficient and mutual information. These parameters do not measure the existence or absence of directionality in the connectivity. The present study investigates the use of the G-autonomy measure of EEG electrode voltages of the same group of schizophrenic patients. G-autonomy is a measure of the “autonomy” of a system. It indicates the degree by which prediction of the system's future evolution is enhanced by taking into account its own past states, in comparison to predictions based on past states of a set of external variables. In the present research, “own” past states refer to voltage values in the time series recorded at a specific electrode and “external” variables refer to the voltage values recorded at other electrodes. Indication is provided for an acute effect of early-stage PE DT expressed by the augmentation of G-autonomy in the delta rhythm and an acute effect of late- stage PE DT expressed by the reduction of G-autonomy in the theta and alpha rhythms.
Reverse control for humanoid robot task recognition.

PubMed

Hak, Sovannara; Mansard, Nicolas; Stasse, Olivier; Laumond, Jean Paul

2012-12-01

Efficient methods to perform motion recognition have been developed using statistical tools. Those methods rely on primitive learning in a suitable space, for example, the latent space of the joint angle and/or adequate task spaces. Learned primitives are often sequential: A motion is segmented according to the time axis. When working with a humanoid robot, a motion can be decomposed into parallel subtasks. For example, in a waiter scenario, the robot has to keep some plates horizontal with one of its arms while placing a plate on the table with its free hand. Recognition can thus not be limited to one task per consecutive segment of time. The method presented in this paper takes advantage of the knowledge of what tasks the robot is able to do and how the motion is generated from this set of known controllers, to perform a reverse engineering of an observed motion. This analysis is intended to recognize parallel tasks that have been used to generate a motion. The method relies on the task-function formalism and the projection operation into the null space of a task to decouple the controllers. The approach is successfully applied on a real robot to disambiguate motion in different scenarios where two motions look similar but have different purposes.

Kinematic decomposition and classification of octopus arm movements.

PubMed

Zelman, Ido; Titon, Myriam; Yekutieli, Yoram; Hanassy, Shlomi; Hochner, Binyamin; Flash, Tamar

2013-01-01

The octopus arm is a muscular hydrostat and due to its deformable and highly flexible structure it is capable of a rich repertoire of motor behaviors. Its motor control system uses planning principles and control strategies unique to muscular hydrostats. We previously reconstructed a data set of octopus arm movements from records of natural movements using a sequence of 3D curves describing the virtual backbone of arm configurations. Here we describe a novel representation of octopus arm movements in which a movement is characterized by a pair of surfaces that represent the curvature and torsion values of points along the arm as a function of time. This representation allowed us to explore whether the movements are built up of elementary kinematic units by decomposing each surface into a weighted combination of 2D Gaussian functions. The resulting Gaussian functions can be considered as motion primitives at the kinematic level of octopus arm movements. These can be used to examine underlying principles of movement generation. Here we used combination of such kinematic primitives to decompose different octopus arm movements and characterize several movement prototypes according to their composition. The representation and methodology can be applied to the movement of any organ which can be modeled by means of a continuous 3D curve.
Kinematic decomposition and classification of octopus arm movements

PubMed Central

Zelman, Ido; Titon, Myriam; Yekutieli, Yoram; Hanassy, Shlomi; Hochner, Binyamin; Flash, Tamar

2013-01-01

The octopus arm is a muscular hydrostat and due to its deformable and highly flexible structure it is capable of a rich repertoire of motor behaviors. Its motor control system uses planning principles and control strategies unique to muscular hydrostats. We previously reconstructed a data set of octopus arm movements from records of natural movements using a sequence of 3D curves describing the virtual backbone of arm configurations. Here we describe a novel representation of octopus arm movements in which a movement is characterized by a pair of surfaces that represent the curvature and torsion values of points along the arm as a function of time. This representation allowed us to explore whether the movements are built up of elementary kinematic units by decomposing each surface into a weighted combination of 2D Gaussian functions. The resulting Gaussian functions can be considered as motion primitives at the kinematic level of octopus arm movements. These can be used to examine underlying principles of movement generation. Here we used combination of such kinematic primitives to decompose different octopus arm movements and characterize several movement prototypes according to their composition. The representation and methodology can be applied to the movement of any organ which can be modeled by means of a continuous 3D curve. PMID:23745113
Connected components of irreducible maps and 1D quantum phases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Szehr, Oleg, E-mail: oleg.szehr@posteo.de; Wolf, Michael M., E-mail: wolf@ma.tum.de

We investigate elementary topological properties of sets of completely positive (CP) maps that arise in quantum Perron-Frobenius theory. We prove that the set of primitive CP maps of fixed Kraus rank is path-connected and we provide a complete classification of the connected components of irreducible CP maps at given Kraus rank and fixed peripheral spectrum in terms of a multiplicity index. These findings are then applied to analyse 1D quantum phases by studying equivalence classes of translational invariant matrix product states that correspond to the connected components of the respective CP maps. Our results extend the previously obtained picture inmore » that they do not require blocking of physical sites, they lead to analytic paths, and they allow us to decompose into ergodic components and to study the breaking of translational symmetry.« less
Three-pattern decomposition of global atmospheric circulation: part II—dynamical equations of horizontal, meridional and zonal circulations

NASA Astrophysics Data System (ADS)

Hu, Shujuan; Cheng, Jianbo; Xu, Ming; Chou, Jifan

2018-04-01

The three-pattern decomposition of global atmospheric circulation (TPDGAC) partitions three-dimensional (3D) atmospheric circulation into horizontal, meridional and zonal components to study the 3D structures of global atmospheric circulation. This paper incorporates the three-pattern decomposition model (TPDM) into primitive equations of atmospheric dynamics and establishes a new set of dynamical equations of the horizontal, meridional and zonal circulations in which the operator properties are studied and energy conservation laws are preserved, as in the primitive equations. The physical significance of the newly established equations is demonstrated. Our findings reveal that the new equations are essentially the 3D vorticity equations of atmosphere and that the time evolution rules of the horizontal, meridional and zonal circulations can be described from the perspective of 3D vorticity evolution. The new set of dynamical equations includes decomposed expressions that can be used to explore the source terms of large-scale atmospheric circulation variations. A simplified model is presented to demonstrate the potential applications of the new equations for studying the dynamics of the Rossby, Hadley and Walker circulations. The model shows that the horizontal air temperature anomaly gradient (ATAG) induces changes in meridional and zonal circulations and promotes the baroclinic evolution of the horizontal circulation. The simplified model also indicates that the absolute vorticity of the horizontal circulation is not conserved, and its changes can be described by changes in the vertical vorticities of the meridional and zonal circulations. Moreover, the thermodynamic equation shows that the induced meridional and zonal circulations and advection transport by the horizontal circulation in turn cause a redistribution of the air temperature. The simplified model reveals the fundamental rules between the evolution of the air temperature and the horizontal, meridional and zonal components of global atmospheric circulation.
Structural phase transitions in GaAs to 108 GPa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weir, S.T.; Vohra, Y.K.; Vanderborgh, C.A.

1989-01-15

The III-V compound GaAs was studied using energy-dispersive x-ray diffraction with a synchro- tron source up to a pressure of 108 GPa. When the pressure was increased to 16.6 GPa, the GaAs sample transformed from the zinc-blende structure to an orthorhombic structure (GaAs(II)), space group Pmm2, consisting of a primitive orthorhombic lattice with a basis of (0,0,0) and (0,(1/2,..cap alpha..), where ..cap alpha.. = 0.35. Upon a further increase of pressure to 24 +- 1 GPa, GaAs(II) transformed to another orthorhombic structure (GaAs(III)), space group Imm2, consisting of a body-centered orthorhombic lattice with a basis of (0,0,0) and (0, (1/2,..delta..),more » where ..delta.. is 0.425 at 28.1 GPa. With increasing pressure, ..delta.. approached (1/2 and the GaAs(III) structure gradually assumed the symmetry of the simple hexagonal structure. The transition to the simple hexagonal structure (GaAs(IV)) was completed in the vicinity of 60--80 GPa. The structure remains simple hexagonal up to at least 108 GPa, the highest pressure reached in this study.« less
Hydrazines and carbohydrazides produced from oxidized carbon in earth's primitive environment

NASA Technical Reports Server (NTRS)

Folsome, C. E.; Brittain, A.; Smith, A.; Chang, S.

1981-01-01

Whether abiological organic compounds can be formed from the interactions of energy sources with nitrogen, oxidized carbon and water is held to be of importance in geochemical models of the primordial earth atmosphere. It is reported that experiments using quenched spark discharges through molecular nitrogen on aqueous suspensions of CaCO3 and other reactants to simulate the hydrosphere/atmosphere interface yield hydrazine and carbohydrazine in significant but low yields. Such reactions in primitive aquatic environments may have supplied a pathway for chemical evolution and the origin of life, on a primitive earth in which fully oxidized states of carbon were available for the primary synthesis of organic matter.
On the zero-Rossby limit for the primitive equations of the atmosphere*

NASA Astrophysics Data System (ADS)

Chen, Gui-Qiang; Zhang, Ping

2001-09-01

The zero-Rossby limit for the primitive equations governing atmospheric motions is analysed. The limit is important in geophysics for large-scale models (cf Lions 1996 Int. Conf. IAM 95 (Hamburg 1995) (Math. Res. vol 87) (Berlin: Akademie) pp 177-212) and is in the level of the zero relaxation limit for nonlinear partial differential equations (cf Chen et al 1994 Commun. Pure Appl. Math. 47 787-830). It is proved that, if the initial data appropriately approximate data of geostrophic type, the corresponding solutions of the simplified primitive equations approximate the solutions of the quasigeostrophic equations with order ɛ accuracy as the Rossby number ɛ goes to zero.
Secure and Authenticated Data Communication in Wireless Sensor Networks.

PubMed

Alfandi, Omar; Bochem, Arne; Kellner, Ansgar; Göge, Christian; Hogrefe, Dieter

2015-08-10

Securing communications in wireless sensor networks is increasingly important as the diversity of applications increases. However, even today, it is equally important for the measures employed to be energy efficient. For this reason, this publication analyzes the suitability of various cryptographic primitives for use in WSNs according to various criteria and, finally, describes a modular, PKI-based framework for confidential, authenticated, secure communications in which most suitable primitives can be employed. Due to the limited capabilities of common WSN motes, criteria for the selection of primitives are security, power efficiency and memory requirements. The implementation of the framework and the singular components have been tested and benchmarked in our testbed of IRISmotes.
Secure and Authenticated Data Communication in Wireless Sensor Networks

PubMed Central

Alfandi, Omar; Bochem, Arne; Kellner, Ansgar; Göge, Christian; Hogrefe, Dieter

2015-01-01

Securing communications in wireless sensor networks is increasingly important as the diversity of applications increases. However, even today, it is equally important for the measures employed to be energy efficient. For this reason, this publication analyzes the suitability of various cryptographic primitives for use in WSNs according to various criteria and, finally, describes a modular, PKI-based framework for confidential, authenticated, secure communications in which most suitable primitives can be employed. Due to the limited capabilities of common WSN motes, criteria for the selection of primitives are security, power efficiency and memory requirements. The implementation of the framework and the singular components have been tested and benchmarked in our testbed of IRISmotes. PMID:26266413
Distributed computation of graphics primitives on a transputer network

NASA Technical Reports Server (NTRS)

Ellis, Graham K.

1988-01-01

A method is developed for distributing the computation of graphics primitives on a parallel processing network. Off-the-shelf transputer boards are used to perform the graphics transformations and scan-conversion tasks that would normally be assigned to a single transputer based display processor. Each node in the network performs a single graphics primitive computation. Frequently requested tasks can be duplicated on several nodes. The results indicate that the current distribution of commands on the graphics network shows a performance degradation when compared to the graphics display board alone. A change to more computation per node for every communication (perform more complex tasks on each node) may cause the desired increase in throughput.
A Computer Code for Swirling Turbulent Axisymmetric Recirculating Flows in Practical Isothermal Combustor Geometries

NASA Technical Reports Server (NTRS)

Lilley, D. G.; Rhode, D. L.

1982-01-01

A primitive pressure-velocity variable finite difference computer code was developed to predict swirling recirculating inert turbulent flows in axisymmetric combustors in general, and for application to a specific idealized combustion chamber with sudden or gradual expansion. The technique involves a staggered grid system for axial and radial velocities, a line relaxation procedure for efficient solution of the equations, a two-equation k-epsilon turbulence model, a stairstep boundary representation of the expansion flow, and realistic accommodation of swirl effects. A user's manual, dealing with the computational problem, showing how the mathematical basis and computational scheme may be translated into a computer program is presented. A flow chart, FORTRAN IV listing, notes about various subroutines and a user's guide are supplied as an aid to prospective users of the code.
The mineral chemistry and origin of inclusion matrix and meteorite matrix in the Allende CV3 chondrite

NASA Technical Reports Server (NTRS)

Kornacki, A. S.; Wood, J. A.

1984-01-01

The mineralogy and mineral chemistry of the inclusion and meteorite matrices in the Allende CV3 chondrite are described, and the physical and chemical parameters of the conventional equilibrium condensation model of the origin of chondrite meteorites are evaluated. An alternative model of the origin of the mafic constituent of Allende inclusions is presented, on the basis of a new model of chondrule petrogenesis and the physical evolution of the primitive solar nebula. The model shows that the mineral chemistry of the olivine matrix in Allende CV3 seems to preserve a good record of nebular and planetary processes, including: (1) vapor-to-solid condensation under relatively oxidizing nonequilibrium conditions; (2) Fe/Mg equilibration in the meteorite parent body; and (3) recrystallization and incipient melting in the solar nebula.
Automatic techniques for 3D reconstruction of critical workplace body postures from range imaging data

NASA Astrophysics Data System (ADS)

Westfeld, Patrick; Maas, Hans-Gerd; Bringmann, Oliver; Gröllich, Daniel; Schmauder, Martin

2013-11-01

The paper shows techniques for the determination of structured motion parameters from range camera image sequences. The core contribution of the work presented here is the development of an integrated least squares 3D tracking approach based on amplitude and range image sequences to calculate dense 3D motion vector fields. Geometric primitives of a human body model are fitted to time series of range camera point clouds using these vector fields as additional information. Body poses and motion information for individual body parts are derived from the model fit. On the basis of these pose and motion parameters, critical body postures are detected. The primary aim of the study is to automate ergonomic studies for risk assessments regulated by law, identifying harmful movements and awkward body postures in a workplace.
Transient myeloproliferative disease of the newborn: case report with placental, cytogenetic, and flow cytometric findings.

PubMed

de Tar, M W; Dittman, W; Gilbert, J

2000-03-01

Transient myeloproliferative disease (TMD) of the newborn is a rare hematologic abnormality associated with trisomy 21. It is frequently difficult to distinguish the disorder from true congenital leukemia (TCL). Unlike leukemia, which has a clinically aggressive course, TMD generally resolves within weeks to months. We present a case of TMD of the newborn diagnosed on the basis of peripheral blood studies and describe the pertinent pathological findings within the placenta. Flow cytometric analysis of the blasts in the peripheral blood showed phenotypic heterogeneity with features consistent with megakaryocytic differentiation. Cytogenetic studies showed trisomy 21 within the blastic cells. The placenta showed villous dysmaturity with associated chorangiosis and prominent intravascular aggregates of primitive-appearing cells with focal, early vascular wall invasion. The neonate recovered fully and shows no evidence of disease at 2 years of age.
Evaluation of the 129I Half-Life Value Through Analyses of Primitive Meteorites

NASA Astrophysics Data System (ADS)

Pravdivtseva, Olga; Meshik, Alex; Hohenberg, Charles M.

The preserved record of decay of now-extinct 129I into 129Xe forms the basis of the I-Xe chronometer. Comparison of the high precision I-Xe and Pb-Pb ages of chondrules and pure mineral phases separated from eight meteorites suggests the 17.5 ÷ 14.6 Ma range for the 129I half-life, assuming that the 235U and 238U half-lives are correct. The mean value of 16 Ma indicates that the 15.7 Ma half-life of 129I used here for the I-Xe age calculations is most probably correct. Since the 129I half-life value only affects the relative I-Xe ages, the few Ma relative to the Shallowater standard, the absolute I-Xe ages are almost immune to this uncertainty in the 129I half-life.
[Neurobiología y psicoanálisis].

PubMed

Rosler, J Roberto

2002-01-01

There would be a conceptual bridge between Psychoanalysis and the Neurosciences that would allow the translation of psychoanalytic concepts into neural mechanisms and vice-versa. Different Freudian postulates, such as that different types of anxiety would emerge from various cerebral interactions, the motivational regulatory functions of the impulse, the conscious emotion as the perception of something basically unconscious, the mechanism of repression in the traumatic memory, the existence of a system associated with the unconscious affective processes and regulated by the principle of pleasure - displeasure, the emotional representation as a basis of the more primitive cerebral structures, and the Oedipo complex, among others, are finding their biological ratification in different laboratory studies. This conceptual bridge would not only be a "Psychoanalysis-Neurobiological mechanisms" translator, but would also, through the integrated conceptualization of the psychoanalytical neurobiological aspects of emotion, generate relevant therapeutic models.
Working in the borderland: early relational trauma and Fordham's analysis of 'K'.

PubMed

West, Marcus

2016-02-01

This paper outlines a view of early relational trauma as underlying borderline states of mind, and argues that Knox's paper on internal working models and the complex provides a basis for understanding such states of mind. The author argues that in addition to internal working models, the complex also embodies and contains primitive defences of the core self. He outlines how these apply on the objective, subjective, transference and archetypal levels, and in direct and reversed forms and applies this to the account of Fordham's analysis of his patient 'K', which ended in impasse. The paper explores the dynamic that emerged in that analysis and suggests that it could be helpfully accounted for in terms of the co-construction and re-construction of early relational trauma in the analytic relationship. © 2016, The Society of Analytical Psychology.
A model for tides and currents in the English Channel and southern North Sea

NASA Astrophysics Data System (ADS)

Walters, Roy. A.

The amplitude and phase of 11 tidal constituents for the English Channel and southern North Sea are calculated using a frequency domain, finite element model. The governing equations — the shallow water equations — are modifed such that sea level is calculated using an elliptic equation of the Helmholz type followed by a back-calculation of velocity using the primitive momentum equations. Triangular elements with linear basis functions are used. The modified form of the governing equations provides stable solutions with little numerical noise. In this field-scale test problem, the model was able to produce the details of the structure of 11 tidal constituents including O 1, K 1, M 2, S 2, N 2, K 2, M 4, MS 4, MN 4, M 6, and 2MS 6.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Shirkov, Leonid; Makarewicz, Jan, E-mail: jama@amu.edu.pl

An ab initio intermolecular potential energy surface (PES) has been constructed for the benzene-krypton (BKr) van der Waals (vdW) complex. The interaction energy has been calculated at the coupled cluster level of theory with single, double, and perturbatively included triple excitations using different basis sets. As a result, a few analytical PESs of the complex have been determined. They allowed a prediction of the complex structure and its vibrational vdW states. The vibrational energy level pattern exhibits a distinct polyad structure. Comparison of the equilibrium structure, the dipole moment, and vibrational levels of BKr with their experimental counterparts has allowedmore » us to design an optimal basis set composed of a small Dunning’s basis set for the benzene monomer, a larger effective core potential adapted basis set for Kr and additional midbond functions. Such a basis set yields vibrational energy levels that agree very well with the experimental ones as well as with those calculated from the available empirical PES derived from the microwave spectra of the BKr complex. The basis proposed can be applied to larger complexes including Kr because of a reasonable computational cost and accurate results.« less
Polarized atomic orbitals for self-consistent field electronic structure calculations

NASA Astrophysics Data System (ADS)

Lee, Michael S.; Head-Gordon, Martin

1997-12-01

We present a new self-consistent field approach which, given a large "secondary" basis set of atomic orbitals, variationally optimizes molecular orbitals in terms of a small "primary" basis set of distorted atomic orbitals, which are simultaneously optimized. If the primary basis is taken as a minimal basis, the resulting functions are termed polarized atomic orbitals (PAO's) because they are valence (or core) atomic orbitals which have distorted or polarized in an optimal way for their molecular environment. The PAO's derive their flexibility from the fact that they are formed from atom-centered linear-combinations of the larger set of secondary atomic orbitals. The variational conditions satisfied by PAO's are defined, and an iterative method for performing a PAO-SCF calculation is introduced. We compare the PAO-SCF approach against full SCF calculations for the energies, dipoles, and molecular geometries of various molecules. The PAO's are potentially useful for studying large systems that are currently intractable with larger than minimal basis sets, as well as offering potential interpretative benefits relative to calculations in extended basis sets.

Transcriptional Networks in Single Perivascular Cells Sorted from Human Adipose Tissue Reveal a Hierarchy of Mesenchymal Stem Cells.

PubMed

Hardy, W Reef; Moldovan, Nicanor I; Moldovan, Leni; Livak, Kenneth J; Datta, Krishna; Goswami, Chirayu; Corselli, Mirko; Traktuev, Dmitry O; Murray, Iain R; Péault, Bruno; March, Keith

2017-05-01

Adipose tissue is a rich source of multipotent mesenchymal stem-like cells, located in the perivascular niche. Based on their surface markers, these have been assigned to two main categories: CD31 - /CD45 - /CD34 + /CD146 - cells (adventitial stromal/stem cells [ASCs]) and CD31 - /CD45 - /CD34 - /CD146 + cells (pericytes [PCs]). These populations display heterogeneity of unknown significance. We hypothesized that aldehyde dehydrogenase (ALDH) activity, a functional marker of primitivity, could help to better define ASC and PC subclasses. To this end, the stromal vascular fraction from a human lipoaspirate was simultaneously stained with fluorescent antibodies to CD31, CD45, CD34, and CD146 antigens and the ALDH substrate Aldefluor, then sorted by fluorescence-activated cell sorting. Individual ASCs (n = 67) and PCs (n = 73) selected from the extremities of the ALDH-staining spectrum were transcriptionally profiled by Fluidigm single-cell quantitative polymerase chain reaction for a predefined set (n = 429) of marker genes. To these single-cell data, we applied differential expression and principal component and clustering analysis, as well as an original gene coexpression network reconstruction algorithm. Despite the stochasticity at the single-cell level, covariation of gene expression analysis yielded multiple network connectivity parameters suggesting that these perivascular progenitor cell subclasses possess the following order of maturity: (a) ALDH br ASC (most primitive); (b) ALDH dim ASC; (c) ALDH br PC; (d) ALDH dim PC (least primitive). This order was independently supported by specific combinations of class-specific expressed genes and further confirmed by the analysis of associated signaling pathways. In conclusion, single-cell transcriptional analysis of four populations isolated from fat by surface markers and enzyme activity suggests a developmental hierarchy among perivascular mesenchymal stem cells supported by markers and coexpression networks. Stem Cells 2017;35:1273-1289. © 2017 AlphaMed Press.
Hungaria Asteroid Region Telescopic Spectral Survey (HARTSS): Stony Asteroids Abundant in the Background and Family Populations

NASA Astrophysics Data System (ADS)

Lucas, Michael P.; Emery, Joshua P.; Pinilla-Alonso, Noemi; Lindsay, Sean S.; Lorenzi, Vania

2016-10-01

The Hungaria region represents a "purgatory" for the closest, preserved samples of the material from which the terrestrial planets accreted. The Hungaria region harbors a collisional family of Xe-type asteroids, which are situated among a background of predominantly S-complex asteroids. Deciphering their surface composition may provide constraints on the nature of the primordial building blocks of the terrestrial planets. We hypothesize that planetesimals in the inner part of the primordial asteroid belt experienced partial- to full-melting and differentiation, the Hungaria region should retain any petrologically-evolved material that formed there.We have undertaken an observational campaign entitled the Hungaria Asteroid Region Telescopic Spectral Survey (HARTSS) to record near-infrared (NIR) spectra to characterize taxonomy, surface mineralogy, and potential meteorite analogs. We used NIR instruments at two ground-based facilities (NASA IRTF; TNG). Our data set includes spectra of 82 Hungaria asteroids (61 background; 21 family), 65 were observed during HARTSS. We compare S-complex background asteroids to calibrations developed via laboratory analyses of ordinary chondrites, and to our analyses (EPMA, XRD, VIS+NIR spectra) of 11 primitive achondrite (acapulcoite-lodranite clan) meteorites.We find that stony S-complex asteroids dominate the Hungaria background population (~80%). Background objects exhibit considerable spectral diversity, when quantified by spectral band parameter measurements, translates to a variety of surface compositions. Two main meteorite groups are represented within the Hungaria background: unmelted, nebular L chondrites (and/or L chondrites), and partially-melted primitive achondrites. H-chondrite mineralogies appear to be absent from the Hungaria background. Xe-type Hungaria family members exhibit spectral homogeneity, consistent with the hypothesis that the family was derived from the disruption of a parent body analogous to an enstatite achondrite (i.e., aubrite) composition. Hungaria region asteroids exhibit a full range of petrologic evolution, from nebular, unmelted ordinary chondrites, through partially-melted primitive achondrites, to fully-melted igneous aubrite meteorites.
CCM Continuity Constraint Method: A finite-element computational fluid dynamics algorithm for incompressible Navier-Stokes fluid flows

DOE Office of Scientific and Technical Information (OSTI.GOV)

Williams, P. T.

1993-09-01

As the field of computational fluid dynamics (CFD) continues to mature, algorithms are required to exploit the most recent advances in approximation theory, numerical mathematics, computing architectures, and hardware. Meeting this requirement is particularly challenging in incompressible fluid mechanics, where primitive-variable CFD formulations that are robust, while also accurate and efficient in three dimensions, remain an elusive goal. This dissertation asserts that one key to accomplishing this goal is recognition of the dual role assumed by the pressure, i.e., a mechanism for instantaneously enforcing conservation of mass and a force in the mechanical balance law for conservation of momentum. Provingmore » this assertion has motivated the development of a new, primitive-variable, incompressible, CFD algorithm called the Continuity Constraint Method (CCM). The theoretical basis for the CCM consists of a finite-element spatial semi-discretization of a Galerkin weak statement, equal-order interpolation for all state-variables, a 0-implicit time-integration scheme, and a quasi-Newton iterative procedure extended by a Taylor Weak Statement (TWS) formulation for dispersion error control. Original contributions to algorithmic theory include: (a) formulation of the unsteady evolution of the divergence error, (b) investigation of the role of non-smoothness in the discretized continuity-constraint function, (c) development of a uniformly H 1 Galerkin weak statement for the Reynolds-averaged Navier-Stokes pressure Poisson equation, (d) derivation of physically and numerically well-posed boundary conditions, and (e) investigation of sparse data structures and iterative methods for solving the matrix algebra statements generated by the algorithm.« less
A phylogenetic and biogeographic analysis of the genera of Spirorchinae (Digenea: Spirorchidae) parasitic in freshwater turtles.

PubMed

Platt, T R

1992-08-01

Cladistic analysis of the freshwater genera of Spirorchinae (Schistosomatoidea: Spirorchidae sensu Yamaguti, 1971) plus Haematotrema Stunkard, 1923, and Aphanospirorchis Platt, 1990, was completed. The Spirorchinae were considered monophyletic based on synapomorphies of the esophagus. Three lineages, Spirhapalum (Europe/Asia), Plasmiorchis+Hemiorchis (India), and Spirorchis + Henotosoma + Haematotrema + Aphanospirorchis (North America), were identified. Nelsen consensus analysis was used as the basis for recognizing 3 valid monophyletic genera: Spirhapalum, Plasmiorchis, and Spirorchis. Hapalotrematinae sensu Smith, 1972 (e.g., Hapalorhynchus/Coeuritrema), is considered the most plesiomorphic group of spirorchids. Freshwater representatives of the hapalotrematines have been reported from 7 of 12 extant turtle families, including the relatively primitive Pelomedusidae (Pleurodira) and exhibit a worldwide distribution. It is hypothesized that this group arose in the early Triassic period, prior to the breakup of Pangea. Thus, it represents a primitive lineage that was present during the diversification of turtle lineages in the mid-Mesozoic era. Spirorchinae arose later (late Cretaceous period) as a Laurasian component parasitic in the more recent pond turtles (Emydidae + Bataguridae). Species of Spirhapalum retained a relatively plesiomorphic distribution, and they are found in emydids (Europe) and batagurids (Asia). Species of Spirorchis arose and diversified with North America emydids following the separation of North America and Europe in the late Cretaceous or early Tertiary periods. Species of Plasmiorchis are hypothesized to be derived from Asian ancestors that accompanied the colonization of India by Asian batagurids during the early Tertiary period. The presence of Spirorchis species in snapping turtles (Chelydridae/North America) and of Plasmiorchis species in Indian soft-shelled turtle (Trionychidae) are considered independent colonization events.
The internal cranial anatomy of Romundina stellina Ørvig, 1975 (Vertebrata, Placodermi, Acanthothoraci) and the origin of jawed vertebrates—Anatomical atlas of a primitive gnathostome

PubMed Central

2017-01-01

Placoderms are considered as the first jawed vertebrates and constitute a paraphyletic group in the stem-gnathostome grade. The acanthothoracid placoderms are among the phylogenetically most basal and morphologically primitive gnathostomes, but their neurocranial anatomy is poorly understood. Here we present a near-complete three-dimensional skull of Romundina stellina, a small Early Devonian acanthothoracid from the Canadian Arctic Archipelago, scanned with propagation phase contrast microtomography at a 7.46 μm isotropic voxel size at the European Synchrotron Radiation Facility, Grenoble, France. This is the first model of an early gnathostome skull produced using this technique, and as such represents a major advance in objectivity compared to past descriptions of placoderm neurocrania on the basis of grinding series. Despite some loss of material along an oblique crack, most of the internal structures are remarkably preserved, and most of the missing structures can be reconstructed by symmetry. This virtual approach offers the possibility to connect with certainty all the external foramina to the blood and nerve canals and the central structures, and thus identify accurate homologies without destroying the specimen. The high level of detail enables description of the main arterial, venous and nerve canals of the skull, and other perichondrally ossified endocranial structures such as the palatoquadrate articulations, the endocranial cavity and the inner ear cavities. The braincase morphology appears less extreme than that of Brindabellaspis, and is in some respects more reminiscent of a basal arthrodire such as Kujdanowiaspis. PMID:28170434
Transfer and Conceptual Change: The Change Process from the Theoretical Perspectives of Coordination Classes and Phenomenological Primitives

ERIC Educational Resources Information Center

Ozdemir, Omer F.

2013-01-01

The purpose of this study is to understand the nature of pre-instructional knowledge transferred by students into problem situations and the change process on students' knowledge system during classroom discussions. This study was framed by two interrelated theoretical frameworks on knowledge structures, phenomenological primitives and…
Addressing Nature Deficit Disorder through Primitive Camping Experiences

ERIC Educational Resources Information Center

Allen, Kevin; Varner, Keegan; Sallee, Jeff

2011-01-01

Today's youth suffer from Nature Deficit Disorder, a condition that has been connected to ADHD, shortage of creativity, and general lack of knowledge about the outdoors. A team of educators and specialists are addressing this issue with primitive camping. County educators were trained using experiential learning and train-the-trainer techniques.…
Topological versus rheological entanglement length in primitive-path analysis protocols, tube models, and slip-link models

NASA Astrophysics Data System (ADS)

Everaers, Ralf

2012-08-01

We show that the front factor appearing in the shear modulus of a phantom network, Gph=(1-2/f)(ρkBT)/Ns, also controls the ratio of the strand length, Ns, and the number of monomers per Kuhn length of the primitive paths, NphPPKuhn, characterizing the average network conformation. In particular, NphPPKuhn=Ns/(1-2/f) and Gph=(ρkBT)/NphPPKuhn. Neglecting the difference between cross-links and slip-links, these results can be transferred to entangled systems and the interpretation of primitive path analysis data. In agreement with the tube model, the analogy to phantom networks suggest that the rheological entanglement length, Nerheo=(ρkBT)/Ge, should equal NePPKuhn. Assuming binary entanglements with f=4 functional junctions, we expect that Nerheo should be twice as large as the topological entanglement length, Netopo. These results are in good agreement with reported primitive path analysis results for model systems and a wide range of polymeric materials. Implications for tube and slip-link models are discussed.
Representation primitives, process models and patient data in computer-interpretable clinical practice guidelines: a literature review of guideline representation models.

PubMed

Wang, Dongwen; Peleg, Mor; Tu, Samson W; Boxwala, Aziz A; Greenes, Robert A; Patel, Vimla L; Shortliffe, Edward H

2002-12-18

Representation of clinical practice guidelines in a computer-interpretable format is a critical issue for guideline development, implementation, and evaluation. We studied 11 types of guideline representation models that can be used to encode guidelines in computer-interpretable formats. We have consistently found in all reviewed models that primitives for representation of actions and decisions are necessary components of a guideline representation model. Patient states and execution states are important concepts that closely relate to each other. Scheduling constraints on representation primitives can be modeled as sequences, concurrences, alternatives, and loops in a guideline's application process. Nesting of guidelines provides multiple views to a guideline with different granularities. Integration of guidelines with electronic medical records can be facilitated by the introduction of a formal model for patient data. Data collection, decision, patient state, and intervention constitute four basic types of primitives in a guideline's logic flow. Decisions clarify our understanding on a patient's clinical state, while interventions lead to the change from one patient state to another.
Microcrystals and Amorphous Material in Comets and Primitive Meteorites: Keys to Understanding Processes in the Early Solar System

NASA Technical Reports Server (NTRS)

Nuth, J. A.; Brearley, A. J.; Scott, E. R. D.

2004-01-01

Comets, fine-grained matrices of chondrites, and chondritic interplanetary dust particles (IDPs) are each composed of both crystalline and amorphous silicates. The primitive solar nebula, in which comets and asteroids accreted, was formed from the collapsed core of a Giant Molecular Cloud, that, in turn, condensed from materials present in the interstellar medium (ISM). Despite observations that reveal the presence of crystalline magnesium silicate minerals in the shells of very high mass-loss-rate stars [1,2], typical silicate grains in the ISM are most likely to be amorphous, given their relatively long residence time in such a high radiation environment. An upper limit of 3% crystalline grains can be derived from their non-detection in spectra of ISM solids [3]. If the vast majority of grains that enter the primitive solar nebula are amorphous, then the observation of crystalline dust in comets and primitive chondrite matrices indicates the action of specific processes required to transform the amorphous starting materials into the crystals that are observed.
A shape-based inter-layer contours correspondence method for ICT-based reverse engineering

PubMed Central

Duan, Liming; Yang, Shangpeng; Zhang, Gui; Feng, Fei; Gu, Minghui

2017-01-01

The correspondence of a stack of planar contours in ICT (industrial computed tomography)-based reverse engineering, a key step in surface reconstruction, is difficult when the contours or topology of the object are complex. Given the regularity of industrial parts and similarity of the inter-layer contours, a specialized shape-based inter-layer contours correspondence method for ICT-based reverse engineering was presented to solve the above problem based on the vectorized contours. In this paper, the vectorized contours extracted from the slices consist of three graphical primitives: circles, arcs and segments. First, the correspondence of the inter-layer primitives is conducted based on the characteristics of the primitives. Second, based on the corresponded primitives, the inter-layer contours correspond with each other using the proximity rules and exhaustive search. The proposed method can make full use of the shape information to handle industrial parts with complex structures. The feasibility and superiority of this method have been demonstrated via the related experiments. This method can play an instructive role in practice and provide a reference for the related research. PMID:28489867
A shape-based inter-layer contours correspondence method for ICT-based reverse engineering.

PubMed

Duan, Liming; Yang, Shangpeng; Zhang, Gui; Feng, Fei; Gu, Minghui

2017-01-01

The correspondence of a stack of planar contours in ICT (industrial computed tomography)-based reverse engineering, a key step in surface reconstruction, is difficult when the contours or topology of the object are complex. Given the regularity of industrial parts and similarity of the inter-layer contours, a specialized shape-based inter-layer contours correspondence method for ICT-based reverse engineering was presented to solve the above problem based on the vectorized contours. In this paper, the vectorized contours extracted from the slices consist of three graphical primitives: circles, arcs and segments. First, the correspondence of the inter-layer primitives is conducted based on the characteristics of the primitives. Second, based on the corresponded primitives, the inter-layer contours correspond with each other using the proximity rules and exhaustive search. The proposed method can make full use of the shape information to handle industrial parts with complex structures. The feasibility and superiority of this method have been demonstrated via the related experiments. This method can play an instructive role in practice and provide a reference for the related research.
Odorant-binding proteins from a primitive termite.

PubMed

Ishida, Yuko; Chiang, Vicky P; Haverty, Michael I; Leal, Walter S

2002-09-01

Hitherto, odorant-binding proteins (OBPs) have been identified from insects belonging to more highly evolved insect orders (Lepidoptera, Coleoptera, Diptera, Hymenoptera, and Hemiptera), whereas only chemosensory proteins have been identified from more primitive species, such as orthopteran and phasmid species. Here, we report for the first time the isolation and cloning of odorant-binding proteins from a primitive termite species, the dampwood termite. Zootermopsis nevadensis nevadensis (Isoptera: Termopsidae). A major antennae-specific protein was detected by native PAGE along with four other minor proteins, which were also absent in the extract from control tissues (hindlegs). Multiple cDNA cloning led to the full characterization of the major antennae-specific protein (ZnevOBP1) and to the identification of two other antennae-specific cDNAs, encoding putative odorant-binding proteins (ZnevOBP2 and ZnevOBP3). N-terminal amino acid sequencing of the minor antennal bands and cDNA cloning showed that olfaction in Z. n. nevadensis may involve multiple odorant-binding proteins. Database searches suggest that the OBPs from this primitive termite are homologues of the pheromone-binding proteins from scarab beetles and antennal-binding proteins from moths.
Development of an Instrument for Assessing the Effectiveness of Chemistry Classroom Teaching

NASA Astrophysics Data System (ADS)

Zheng, Changlong; Fu, Lihai; He, Peng

2014-04-01

Classroom teaching is a main frontier of the implementation of new curricular ideas in China. The study reported in this article is concerned with the effectiveness of system of classroom teaching (SCT) in chemistry lessons. According to the Systems Science theory, we took a macroscopic view on the SCT, arguing that SCT is a hierarchy of system, which includes class system, plate system, unit system, and primitive system. In this study, we focused on primitive system of classroom teaching (PrS)—the lowest level in a SCT. Using focus group interviews, this study investigated the variables related to the effectiveness of PrS. We found a total of 21 such variables. To identify the main factors underlying the effectiveness of PrS, we further used exploratory factor analysis and confirmatory factor analysis. We found five main factors: rational use of time, quality of teaching behavior chain, match degree, quality of using resource and technology, and rationality of primitive content. Based on these findings, we constructed an evaluation scale for assessing the effectiveness of primitive system of chemistry classroom teaching.
Discovering motion primitives for unsupervised grouping and one-shot learning of human actions, gestures, and expressions.

PubMed

Yang, Yang; Saleemi, Imran; Shah, Mubarak

2013-07-01

This paper proposes a novel representation of articulated human actions and gestures and facial expressions. The main goals of the proposed approach are: 1) to enable recognition using very few examples, i.e., one or k-shot learning, and 2) meaningful organization of unlabeled datasets by unsupervised clustering. Our proposed representation is obtained by automatically discovering high-level subactions or motion primitives, by hierarchical clustering of observed optical flow in four-dimensional, spatial, and motion flow space. The completely unsupervised proposed method, in contrast to state-of-the-art representations like bag of video words, provides a meaningful representation conducive to visual interpretation and textual labeling. Each primitive action depicts an atomic subaction, like directional motion of limb or torso, and is represented by a mixture of four-dimensional Gaussian distributions. For one--shot and k-shot learning, the sequence of primitive labels discovered in a test video are labeled using KL divergence, and can then be represented as a string and matched against similar strings of training videos. The same sequence can also be collapsed into a histogram of primitives or be used to learn a Hidden Markov model to represent classes. We have performed extensive experiments on recognition by one and k-shot learning as well as unsupervised action clustering on six human actions and gesture datasets, a composite dataset, and a database of facial expressions. These experiments confirm the validity and discriminative nature of the proposed representation.
Two different pathways for the transport of primitive and definitive blood cells from the yolk sac to the embryo in humans.

PubMed

Pereda, Jaime; Monge, Juan I; Niimi, Gen

2010-08-01

During the early human embryonic period nutrients and blood cells are temporarily provided by the extraembryonic yolk sac (YS). The YS before week six is involved not only in primitive but also in definitive erythropoiesis. While the destiny of primitive erythroid cells that fill the blood vessels of the YS is well known, the final destination of erythrocytes present in the endodermal vesicular system is unknown. In the present study we have investigated, step by step, the destiny of the erythrocytes present in the endodermal vesicles during the embryonic period. Twelve human YSs and their corresponding yolk stalks were analyzed between weeks 4 and 7 of embryonic age by light and scanning electron microscopy. It is shown that erythrocytes (according to their size and morphological features) located within the endodermal vesicles of the YS wall are pulled out through endodermal pits into the YS cavity, from where they reach the lumen of the primitive gut of the embryo through the vitelline duct, a temporary pathway communicating both compartments. During the study period no erythrocytes were seen within the embryo's vascular network where only primitive erythroblasts were identified. Our results indicate that the vitelline duct plays an important transient role as a pathway for the transport of nutrients and blood cells between the YS and the embryo before week five of embryonic development that ends just at the time when YS-embryo circulation becomes established. (c) 2010 Wiley-Liss, Inc.
42 CFR 415.170 - Conditions for payment on a fee schedule basis for physician services in a teaching setting.

Code of Federal Regulations, 2010 CFR

2010-10-01

... physician services in a teaching setting. 415.170 Section 415.170 Public Health CENTERS FOR MEDICARE... BY PHYSICIANS IN PROVIDERS, SUPERVISING PHYSICIANS IN TEACHING SETTINGS, AND RESIDENTS IN CERTAIN SETTINGS Physician Services in Teaching Settings § 415.170 Conditions for payment on a fee schedule basis...
Comparative analysis of the 5S rRNA and its associated proteins reveals unique primitive rather than parasitic features in Giardia lamblia.

PubMed

Feng, Jin-Mei; Sun, Jun; Xin, De-Dong; Wen, Jian-Fan

2012-01-01

5S rRNA is a highly conserved ribosomal component. Eukaryotic 5S rRNA and its associated proteins (5S rRNA system) have become very well understood. Giardia lamblia was thought by some researchers to be the most primitive extant eukaryote while others considered it a highly evolved parasite. Previous reports have indicated that some aspects of its 5S rRNA system are simpler than that of common eukaryotes. We here explore whether this is true to its entire system, and whether this simplicity is a primitive or parasitic feature. By collecting and confirming pre-existing data and identifying new data, we obtained almost complete datasets of the system of three isolates of G. lamblia, two other parasitic excavates (Trichomonas vaginalis, Trypanosoma cruzi), and one free-living one (Naegleria gruberi). After comprehensively comparing each aspect of the system among these excavates and also with those of archaea and common eukaryotes, we found all the three Giardia isolates to harbor a same simplified 5S rRNA system, which is not only much simpler than that of common eukaryotes but also the simplest one among those of these excavates, and is surprisingly very similar to that of archaea; we also found among these excavates the system in parasitic species is not necessarily simpler than that in free-living species, conversely, the system of free-living species is even simpler in some respects than those of parasitic ones. The simplicity of Giardia 5S rRNA system should be considered a primitive rather than parasitically-degenerated feature. Therefore, Giardia 5S rRNA system might be a primitive system that is intermediate between that of archaea and the common eukaryotic model system, and it may reflect the evolutionary history of the eukaryotic 5S rRNA system from the archaeal form. Our results also imply G. lamblia might be a primitive eukaryote with secondary parasitically-degenerated features.
Projected Hybrid Orbitals: A General QM/MM Method

PubMed Central

2015-01-01

A projected hybrid orbital (PHO) method was described to model the covalent boundary in a hybrid quantum mechanical and molecular mechanical (QM/MM) system. The PHO approach can be used in ab initio wave function theory and in density functional theory with any basis set without introducing system-dependent parameters. In this method, a secondary basis set on the boundary atom is introduced to formulate a set of hybrid atomic orbtials. The primary basis set on the boundary atom used for the QM subsystem is projected onto the secondary basis to yield a representation that provides a good approximation to the electron-withdrawing power of the primary basis set to balance electronic interactions between QM and MM subsystems. The PHO method has been tested on a range of molecules and properties. Comparison with results obtained from QM calculations on the entire system shows that the present PHO method is a robust and balanced QM/MM scheme that preserves the structural and electronic properties of the QM region. PMID:25317748
A novel Gaussian-Sinc mixed basis set for electronic structure calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jerke, Jonathan L.; Lee, Young; Tymczak, C. J.

2015-08-14

A Gaussian-Sinc basis set methodology is presented for the calculation of the electronic structure of atoms and molecules at the Hartree–Fock level of theory. This methodology has several advantages over previous methods. The all-electron electronic structure in a Gaussian-Sinc mixed basis spans both the “localized” and “delocalized” regions. A basis set for each region is combined to make a new basis methodology—a lattice of orthonormal sinc functions is used to represent the “delocalized” regions and the atom-centered Gaussian functions are used to represent the “localized” regions to any desired accuracy. For this mixed basis, all the Coulomb integrals are definablemore » and can be computed in a dimensional separated methodology. Additionally, the Sinc basis is translationally invariant, which allows for the Coulomb singularity to be placed anywhere including on lattice sites. Finally, boundary conditions are always satisfied with this basis. To demonstrate the utility of this method, we calculated the ground state Hartree–Fock energies for atoms up to neon, the diatomic systems H{sub 2}, O{sub 2}, and N{sub 2}, and the multi-atom system benzene. Together, it is shown that the Gaussian-Sinc mixed basis set is a flexible and accurate method for solving the electronic structure of atomic and molecular species.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hill, J. Grant, E-mail: grant.hill@sheffield.ac.uk, E-mail: kipeters@wsu.edu; Peterson, Kirk A., E-mail: grant.hill@sheffield.ac.uk, E-mail: kipeters@wsu.edu

New correlation consistent basis sets, cc-pVnZ-PP-F12 (n = D, T, Q), for all the post-d main group elements Ga–Rn have been optimized for use in explicitly correlated F12 calculations. The new sets, which include not only orbital basis sets but also the matching auxiliary sets required for density fitting both conventional and F12 integrals, are designed for correlation of valence sp, as well as the outer-core d electrons. The basis sets are constructed for use with the previously published small-core relativistic pseudopotentials of the Stuttgart-Cologne variety. Benchmark explicitly correlated coupled-cluster singles and doubles with perturbative triples [CCSD(T)-F12b] calculations of themore » spectroscopic properties of numerous diatomic molecules involving 4p, 5p, and 6p elements have been carried out and compared to the analogous conventional CCSD(T) results. In general the F12 results obtained with a n-zeta F12 basis set were comparable to conventional aug-cc-pVxZ-PP or aug-cc-pwCVxZ-PP basis set calculations obtained with x = n + 1 or even x = n + 2. The new sets used in CCSD(T)-F12b calculations are particularly efficient at accurately recovering the large correlation effects of the outer-core d electrons.« less
Comparison of fMRI analysis methods for heterogeneous BOLD responses in block design studies

PubMed Central

Bernal-Casas, David; Fang, Zhongnan; Lee, Jin Hyung

2017-01-01

A large number of fMRI studies have shown that the temporal dynamics of evoked BOLD responses can be highly heterogeneous. Failing to model heterogeneous responses in statistical analysis can lead to significant errors in signal detection and characterization and alter the neurobiological interpretation. However, to date it is not clear that, out of a large number of options, which methods are robust against variability in the temporal dynamics of BOLD responses in block-design studies. Here, we used rodent optogenetic fMRI data with heterogeneous BOLD responses and simulations guided by experimental data as a means to investigate different analysis methods’ performance against heterogeneous BOLD responses. Evaluations are carried out within the general linear model (GLM) framework and consist of standard basis sets as well as independent component analysis (ICA). Analyses show that, in the presence of heterogeneous BOLD responses, conventionally used GLM with a canonical basis set leads to considerable errors in the detection and characterization of BOLD responses. Our results suggest that the 3rd and 4th order gamma basis sets, the 7th to 9th order finite impulse response (FIR) basis sets, the 5th to 9th order B-spline basis sets, and the 2nd to 5th order Fourier basis sets are optimal for good balance between detection and characterization, while the 1st order Fourier basis set (coherence analysis) used in our earlier studies show good detection capability. ICA has mostly good detection and characterization capabilities, but detects a large volume of spurious activation with the control fMRI data. PMID:27993672
Bound states for magic state distillation in fault-tolerant quantum computation.

PubMed

Campbell, Earl T; Browne, Dan E

2010-01-22

Magic state distillation is an important primitive in fault-tolerant quantum computation. The magic states are pure nonstabilizer states which can be distilled from certain mixed nonstabilizer states via Clifford group operations alone. Because of the Gottesman-Knill theorem, mixtures of Pauli eigenstates are not expected to be magic state distillable, but it has been an open question whether all mixed states outside this set may be distilled. In this Letter we show that, when resources are finitely limited, nondistillable states exist outside the stabilizer octahedron. In analogy with the bound entangled states, which arise in entanglement theory, we call such states bound states for magic state distillation.
STRCMACS: An extensive set of Macros for structured programming in OS/360 assembly language

NASA Technical Reports Server (NTRS)

Barth, C. W.

1974-01-01

Two techniques are discussed that have been most often referred to as structured programming. One is that of programming with high level control structures (such as the if and while) replacing the branch instruction (goto-less programming); the other is the process of developing a program by progressively refining descriptions of components in terms of more primitive components (called stepwise refinement or top-down programming). In addition to discussing what these techniques are, it is shown why their use is advised and how both can be implemented in OS assembly language by the use of a special macro instruction package.
Residues in the analyst of the patient's symbiotic connection at a somatic level: unrepresented states in the patient and analyst.

PubMed

Godsil, Geraldine

2018-02-01

This paper discusses the residues of a somatic countertransference that revealed its meaning several years after apparently successful analytic work had ended. Psychoanalytic and Jungian analytic ideas on primitive communication, dissociation and enactment are explored in the working through of a shared respiratory symptom between patient and analyst. Growth in the analyst was necessary so that the patient's communication at a somatic level could be understood. Bleger's concept that both the patient's and analyst's body are part of the setting was central in the working through. © 2018, The Society of Analytical Psychology.
A study of the adequacy of quasi-geostrophic dynamics for modeling the effect of frontal cyclones on the larger scale flow

NASA Technical Reports Server (NTRS)

Mudrick, Stephen

1987-01-01

The evolution of individual cyclone waves is studied in order to see how well quasi-geostrophic (QG) dynamics can simulate the behavior of primitive equations (PE) dynamics. This work is an extension of a similar study (Mudrick, 1982); emphasis is placed here on adding a frontal zone and other more diverse features to the basic states used. In addition, sets of PE integrations, with and without friction, are used to study the formation of surface occluded fronts within the evolving cyclones. Results of the study are summarized at the beginning of the report.
Android Protection Mechanism: A Signed Code Security Mechanism for Smartphone Applications

DTIC Science & Technology

2011-03-01

status registers, exceptions, endian support, unaligned access support, synchronization primitives , the Jazelle Extension, and saturated integer...supports comprehensive non-blocking shared-memory synchronization primitives that scale for multiple-processor system designs. This is an improvement... synchronization . Memory semaphores can be loaded and altered without interruption because the load and store operations are atomic. Processor
Sorafenib in Treating Patients With Soft Tissue Sarcomas (Extremity Sarcoma Closed to Entry as of 5/30/07)

ClinicalTrials.gov

2014-04-01

Metastatic Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor; Metastatic Osteosarcoma; Recurrent Adult Soft Tissue Sarcoma; Recurrent Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor; Recurrent Osteosarcoma; Stage I Adult Soft Tissue Sarcoma; Stage II Adult Soft Tissue Sarcoma; Stage III Adult Soft Tissue Sarcoma; Stage IV Adult Soft Tissue Sarcoma
Primitive Reflexes and Attention-Deficit/Hyperactivity Disorder: Developmental Origins of Classroom Dysfunction

ERIC Educational Resources Information Center

Taylor, Myra; Houghton, Stephen; Chapman, Elaine

2004-01-01

The present research studied the symptomatologic overlap of AD/HD behaviours and retention of four primitive reflexes (Moro, Tonic Labyrinthine Reflex [TLR], Asymmetrical Tonic Neck Reflex [ATNR], Symmetrical Tonic Neck Reflex [STNR]) in 109 boys aged 7-10 years. Of these, 54 were diagnosed with AD/HD, 34 manifested sub-syndromal coordination,…
On the origin of extraterrestrial stratospheric particles: Interplanetary dust or meteor ablation debris?. M.S. Thesis

NASA Technical Reports Server (NTRS)

Kyte, F. T.

1977-01-01

Meteor ablation debris was distinguished from unablated interplanetary dust in a collection of extraterrestrial particles collected in the stratosphere using NASA U-2 aircraft. A 62 g sample of the Murchison (C2) meteorite was artificially ablated to characterize ablation debris for comparison with the stratospheric particles. By using proper experimental conditions, artificial ablation debris can be produced that is similar to natural ablation debris. Analyses of natural fusion crusts, artificial fusion crust, and artificial ablation debris of the Murchison meteorite produced criteria for recognizing debris ablated by a primitive meteoroid. Ninety-five percent of the stratospheric particles can be described as either ablation debris from a primitive meteoroid, or as very primitive interplanetary dust.
A primitive protostegid from Australia and early sea turtle evolution

PubMed Central

Kear, Benjamin P; Lee, Michael S.Y

2005-01-01

Sea turtles (Chelonioidea) are a prominent group of modern marine reptiles whose early history is poorly understood. Analysis of exceptionally well preserved fossils of Bouliachelys suteri gen. et sp. nov., a large-bodied basal protostegid (primitive chelonioid) from the Early Cretaceous (Albian) of Australia, indicates that early sea turtles were both larger and more diverse than previously thought. The analysis implies at least five distinct sea turtle lineages existed around 100 million years ago. Currently, the postcranially primitive Ctenochelys and Toxochelys are interpreted as crown-group sea turtles closely related to living cheloniids (e.g. Chelonia); in contrast, the new phylogeny suggests that they are transitional (intermediate stem-taxa) between continental testudines and derived, pelagic chelonioids. PMID:17148342
Detailed Primitive-Based 3d Modeling of Architectural Elements

NASA Astrophysics Data System (ADS)

Remondino, F.; Lo Buglio, D.; Nony, N.; De Luca, L.

2012-07-01

The article describes a pipeline, based on image-data, for the 3D reconstruction of building façades or architectural elements and the successive modeling using geometric primitives. The approach overcome some existing problems in modeling architectural elements and deliver efficient-in-size reality-based textured 3D models useful for metric applications. For the 3D reconstruction, an opensource pipeline developed within the TAPENADE project is employed. In the successive modeling steps, the user manually selects an area containing an architectural element (capital, column, bas-relief, window tympanum, etc.) and then the procedure fits geometric primitives and computes disparity and displacement maps in order to tie visual and geometric information together in a light but detailed 3D model. Examples are reported and commented.
POPO AGIE PRIMITIVE AREA, WYOMING.

USGS Publications Warehouse

Pearson, Robert C.; Patten, L.L.

1984-01-01

A mineral-resource appraisal was made of the Popo Agie Primitive Area and some adjoining lands. This scenic mountainous region of the Wind River Range in west-central Wyoming is composed largely of ancient granitic rocks in which virtually no evidence of mineral deposits was found. Deep crustal seismic-reflection profiles obtained across the southern Wind River Range suggest the possibility that young sedimentary rocks, similar to those at the surface along the northeast flank of the range, are present at depth beneath the granite in the Popo Agie primitive Area. If present, such buried sedimentary rocks could be petroleum bearing. Additional seismic and gravity studies would probably add valuable information, but ultimately very expensive, very deep drilling will be necessary to test this possibility.
Quadruped robots' modular trajectories: Stability issues

NASA Astrophysics Data System (ADS)

Pinto, Carla M. A.

2012-09-01

Pinto, Santos, Rocha and Matos [13, 12] study a CPG model for the generation of modular trajectories of quadruped robots. They consider that each movement is composed of two types of primitives: rhythmic and discrete. The rhythmic primitive models the periodic patterns and the discrete primitive is inserted as a perturbation of those patterns. In this paper we begin to tackle numerically the problem of the stability of that mathematical model. We observe that if the discrete part is inserted in all limbs, with equal values, and as an offset of the rhythmic part, the obtained gait is stable and has the same spatial and spatio-temporal symmetry groups as the purely rhythmic gait, differing only on the value of the offset.
Hard Spheres on the Primitive Surface

NASA Astrophysics Data System (ADS)

Dotera, Tomonari; Takahashi, Yusuke

2015-03-01

Recently hierarchical structures associated with the gyroid in several soft-matter systems have been reported. One of fundamental questions is regular arrangement or tiling on minimal surfaces. We have found certain numbers of hard spheres per unit cell on the gyroid surface are entropically self-organized. Here, new results for the primitive surface are presented. 56/64/72 per unit cell on the primitive minimal surface are entropically self-organized. Numerical evidences for the fluid-solid transition as a function of hard sphere radius are obtained in terms of the acceptance ratio of Monte Carlo moves and order parameters. These arrangements, which are the extensions of the hexagonal arrangement on a flat surface, can be viewed as hyperbolic tiling on the Poincaré disk with a negative Gaussian curvature.
Conventional and Explicitly Correlated ab Initio Benchmark Study on Water Clusters: Revision of the BEGDB and WATER27 Data Sets.

PubMed

Manna, Debashree; Kesharwani, Manoj K; Sylvetsky, Nitai; Martin, Jan M L

2017-07-11

Benchmark ab initio energies for BEGDB and WATER27 data sets have been re-examined at the MP2 and CCSD(T) levels with both conventional and explicitly correlated (F12) approaches. The basis set convergence of both conventional and explicitly correlated methods has been investigated in detail, both with and without counterpoise corrections. For the MP2 and CCSD-MP2 contributions, rapid basis set convergence observed with explicitly correlated methods is compared to conventional methods. However, conventional, orbital-based calculations are preferred for the calculation of the (T) term, since it does not benefit from F12. CCSD(F12*) converges somewhat faster with the basis set than CCSD-F12b for the CCSD-MP2 term. The performance of various DFT methods is also evaluated for the BEGDB data set, and results show that Head-Gordon's ωB97X-V and ωB97M-V functionals outperform all other DFT functionals. Counterpoise-corrected DSD-PBEP86 and raw DSD-PBEPBE-NL also perform well and are close to MP2 results. In the WATER27 data set, the anionic (deprotonated) water clusters exhibit unacceptably slow basis set convergence with the regular cc-pVnZ-F12 basis sets, which have only diffuse s and p functions. To overcome this, we have constructed modified basis sets, denoted aug-cc-pVnZ-F12 or aVnZ-F12, which have been augmented with diffuse functions on the higher angular momenta. The calculated final dissociation energies of BEGDB and WATER27 data sets are available in the Supporting Information. Our best calculated dissociation energies can be reproduced through n-body expansion, provided one pushes to the basis set and electron correlation limit for the two-body term; for the three-body term, post-MP2 contributions (particularly CCSD-MP2) are important for capturing the three-body dispersion effects. Terms beyond four-body can be adequately captured at the MP2-F12 level.
On the Use of a Mixed Gaussian/Finite-Element Basis Set for the Calculation of Rydberg States

NASA Technical Reports Server (NTRS)

Thuemmel, Helmar T.; Langhoff, Stephen (Technical Monitor)

1996-01-01

Configuration-interaction studies are reported for the Rydberg states of the helium atom using mixed Gaussian/finite-element (GTO/FE) one particle basis sets. Standard Gaussian valence basis sets are employed, like those, used extensively in quantum chemistry calculations. It is shown that the term values for high-lying Rydberg states of the helium atom can be obtained accurately (within 1 cm -1), even for a small GTO set, by augmenting the n-particle space with configurations, where orthonormalized interpolation polynomials are singly occupied.
Perturbation corrections to Koopmans' theorem. V - A study with large basis sets

NASA Technical Reports Server (NTRS)

Chong, D. P.; Langhoff, S. R.

1982-01-01

The vertical ionization potentials of N2, F2 and H2O were calculated by perturbation corrections to Koopmans' theorem using six different basis sets. The largest set used includes several sets of polarization functions. Comparison is made with measured values and with results of computations using Green's functions.
A new basis set for molecular bending degrees of freedom.

PubMed

Jutier, Laurent

2010-07-21

We present a new basis set as an alternative to Legendre polynomials for the variational treatment of bending vibrational degrees of freedom in order to highly reduce the number of basis functions. This basis set is inspired from the harmonic oscillator eigenfunctions but is defined for a bending angle in the range theta in [0:pi]. The aim is to bring the basis functions closer to the final (ro)vibronic wave functions nature. Our methodology is extended to complicated potential energy surfaces, such as quasilinearity or multiequilibrium geometries, by using several free parameters in the basis functions. These parameters allow several density maxima, linear or not, around which the basis functions will be mainly located. Divergences at linearity in integral computations are resolved as generalized Legendre polynomials. All integral computations required for the evaluation of molecular Hamiltonian matrix elements are given for both discrete variable representation and finite basis representation. Convergence tests for the low energy vibronic states of HCCH(++), HCCH(+), and HCCS are presented.
Source characteristics and tectonic setting of mafic-ultramafic intrusions in North Xinjiang, NW China: Insights from the petrology and geochemistry of the Lubei mafic-ultramafic intrusion

NASA Astrophysics Data System (ADS)

Chen, Bao-Yun; Yu, Jin-Jie; Liu, Shuai-Jie

2018-05-01

The newly discovered Lubei sulfide-bearing mafic-ultramafic intrusion forms the western extension of the Huangshan-Jin'erquan mafic-ultramafic intrusion belt in East Tianshan, NW China. The Lubei intrusion comprises hornblende peridotite, lherzolite, and harzburgite in its southern portion, gabbro in its middle portion, and hornblende gabbro in its northern portion. Intrusive relationships indicate that three magma pulses were involved in the formation of the intrusion, and that they were likely evolved from a common primitive magma. Estimated compositions of the Lubei primitive magma are similar to those of island arc calc-alkaline basalt except for the low Na2O and CaO contents of the Lubei primitive magma. This paper reports on the mineral compositions, whole-rock major and trace element contents, and Rb-Sr and Sm-Nd isotopic compositions of the Lubei intrusion, and a zircon LA-MC-ICP-MS U-Pb age for hornblende gabbro. The Lubei intrusion is characterized by enrichment in large-ion lithophile elements, depletion in high-field-strength elements, and marked negative Nb and Ta anomalies, with enrichment in chondrite-normalized light rare earth elements. It exhibits low (87Sr/86Sr)i ratios of 0.70333-0.70636 and low (143Nd/144Nd)i ratios of 0.51214-0.51260, with positive εNd values of +4.01 to +6.33. LA-ICP-MS U-Pb zircon ages yielded a weighted-mean age of 287.9 ± 1.6 Ma for the Lubei intrusion. Contemporaneous mafic-ultramafic intrusions in different tectonic domains in North Xinjiang show similar geological and geochemical signatures to the Lubei intrusion, suggesting a source region of metasomatized mantle previously modified by hydrous fluids from the slab subducted beneath the North Xinjiang region in the early Permian. Metasomatism of the mantle was dominated by hydrous fluids and was related to subduction of the Paleo-Asian oceanic lithosphere during the Paleozoic. Sr-Nd-Pb isotopic compositions suggest that the mantle source was a mixture of depleted mid-ocean-ridge-basalt mantle and enriched-mantle I components. The Permian mafic-ultramafic intrusions in North Xinjiang were formed from tholeiitic basaltic magmas derived from decompression partial melting of the metasomatized mantle in a post-collision extensional tectonic setting. The tholeiitic basaltic magmas are equivalent to the voluminous underplated basaltic magmas that formed during vertical crustal growth of the Central Asian Orogenic Belt in the later Paleozoic.

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