High-precision horizontally directed force measurements for high dead loads based on a differential electromagnetic force compensation system

NASA Astrophysics Data System (ADS)

Vasilyan, Suren; Rivero, Michel; Schleichert, Jan; Halbedel, Bernd; Fröhlich, Thomas

2016-04-01

In this paper, we present an application for realizing high-precision horizontally directed force measurements in the order of several tens of nN in combination with high dead loads of about 10 N. The set-up is developed on the basis of two identical state-of-the-art electromagnetic force compensation (EMFC) high precision balances. The measurement resolution of horizontally directed single-axis quasi-dynamic forces is 20 nN over the working range of  ±100 μN. The set-up operates in two different measurement modes: in the open-loop mode the mechanical deflection of the proportional lever is an indication of the acting force, whereas in the closed-loop mode it is the applied electric current to the coil inside the EMFC balance that compensates deflection of the lever to the offset zero position. The estimated loading frequency (cutoff frequency) of the set-up in the open-loop mode is about 0.18 Hz, in the closed-loop mode it is 0.7 Hz. One of the practical applications that the set-up is suitable for is the flow rate measurements of low electrically conducting electrolytes by applying the contactless technique of Lorentz force velocimetry. Based on a previously developed set-up which uses a single EMFC balance, experimental, theoretical and numerical analyses of the thermo-mechanical properties of the supporting structure are presented.

Astronauts' menu problem.

NASA Technical Reports Server (NTRS)

Lesso, W. G.; Kenyon, E.

1972-01-01

Consideration of the problems involved in choosing appropriate menus for astronauts carrying out SKYLAB missions lasting up to eight weeks. The problem of planning balanced menus on the basis of prepackaged food items within limitations on the intake of calories, protein, and certain elements is noted, as well as a number of other restrictions of both physical and arbitrary nature. The tailoring of a set of menus for each astronaut on the basis of subjective rankings of each food by the astronaut in terms of a 'measure of pleasure' is described, and a computer solution to this problem by means of a mixed integer programming code is presented.

Alternative formulation of explicitly correlated third-order Møller-Plesset perturbation theory

NASA Astrophysics Data System (ADS)

Ohnishi, Yu-ya; Ten-no, Seiichiro

2013-09-01

The second-order wave operator in the explicitly correlated wave function theory has been newly defined as an extension of the conventional s- and p-wave (SP) ansatz (also referred to as the FIXED amplitude ansatz) based on the linked-diagram theorem. The newly defined second-order wave operator has been applied to the calculation of the F12 correction to the third-order many-body perturbation (MP3) energy. In addition to this new wave operator, the F12 correction with the conventional first-order wave operator has been derived and calculated. Among three components of the MP3 correlation energy, the particle ladder contribution, which has shown the slowest convergence with respect to the basis set size, is fairly ameliorated by employing these F12 corrections. Both the newly defined and conventional formalisms of the F12 corrections exhibit a similar recovery of over 90% of the complete basis set limit of the particle ladder contribution of the MP3 correlation energy with a triple-zeta quality basis set for the neon atom, while the amount is about 75% without the F12 correction. The corrections to the ring term are small but the corrected energy has shown similar recovery as the particle ladder term. The hole ladder term has shown a rapid convergence even without the F12 corrections. Owing to these balanced recoveries, the deviation of the total MP3 correlation energy from the complete basis set limit has been calculated to be about 1 kcal/mol with the triple-zeta quality basis set, which is more than five times smaller than the error without the F12 correction.

An up-to-date quality-controlled surface mass balance data set for the 90°-180°E Antarctica sector and 1950-2005 period

NASA Astrophysics Data System (ADS)

Magand, O.; Genthon, C.; Fily, M.; Krinner, G.; Picard, G.; Frezzotti, M.; Ekaykin, A. A.

2007-06-01

On the basis of thousands of surface mass balance (SMB) field measurements over the entire Antarctic ice sheet it is currently estimated that more than 2 Gt of ice accumulate each year at the surface of Antarctica. However, these estimates suffer from large uncertainties. Various problems affect Antarctic SMB measurements, in particular, limited or unwarranted spatial and temporal representativeness, measurement inaccuracy, and lack of quality control. We define quality criteria on the basis of (1) an up-to-date review and quality rating of the various SMB measurement methods and (2) essential information (location, dates of measurements, time period covered by the SMB values, and primary data sources) related to each SMB data. We apply these criteria to available SMB values from Queen Mary to Victoria lands (90°-180°E Antarctic sector) from the early 1950s to present. This results in a new set of observed SMB values for the 1950-2005 time period with strong reduction in density and coverage but also expectedly reduced inaccuracies and uncertainties compared to other compilations. The quality-controlled SMB data set also contains new results from recent field campaigns (International Trans-Antarctic Scientific Expedition (ITASE), Russian Antarctic Expedition (RAE), and Australian National Antarctic Research Expeditions (ANARE) projects) which comply with the defined quality criteria. A comparative evaluation of climate model results against the quality-controlled updated SMB data set and other widely used ones illustrates that such Antarctic SMB studies are significantly affected by the quality of field SMB values used as reference.

Impact of Uncertainties in Meteorological Forcing Data and Land Surface Parameters on Global Estimates of Terrestrial Water Balance Components

NASA Astrophysics Data System (ADS)

Nasonova, O. N.; Gusev, Ye. M.; Kovalev, Ye. E.

2009-04-01

Global estimates of the components of terrestrial water balance depend on a technique of estimation and on the global observational data sets used for this purpose. Land surface modelling is an up-to-date and powerful tool for such estimates. However, the results of modelling are affected by the quality of both a model and input information (including meteorological forcing data and model parameters). The latter is based on available global data sets containing meteorological data, land-use information, and soil and vegetation characteristics. Now there are a lot of global data sets, which differ in spatial and temporal resolution, as well as in accuracy and reliability. Evidently, uncertainties in global data sets will influence the results of model simulations, but to which extent? The present work is an attempt to investigate this issue. The work is based on the land surface model SWAP (Soil Water - Atmosphere - Plants) and global 1-degree data sets on meteorological forcing data and the land surface parameters, provided within the framework of the Second Global Soil Wetness Project (GSWP-2). The 3-hourly near-surface meteorological data (for the period from 1 July 1982 to 31 December 1995) are based on reanalyses and gridded observational data used in the International Satellite Land-Surface Climatology Project (ISLSCP) Initiative II. Following the GSWP-2 strategy, we used a number of alternative global forcing data sets to perform different sensitivity experiments (with six alternative versions of precipitation, four versions of radiation, two pure reanalysis products and two fully hybridized products of meteorological data). To reveal the influence of model parameters on simulations, in addition to GSWP-2 parameter data sets, we produced two alternative global data sets with soil parameters on the basis of their relationships with the content of clay and sand in a soil. After this the sensitivity experiments with three different sets of parameters were performed. As a result, 16 variants of global annual estimates of water balance components were obtained. Application of alternative data sets on radiation, precipitation, and soil parameters allowed us to reveal the influence of uncertainties in input data on global estimates of water balance components.

Absolute configuration of (-)-myrtenal by vibrational circular dichroism.

PubMed

Burgueño-Tapia, Eleuterio; Zepeda, L Gerardo; Joseph-Nathan, Pedro

2010-07-01

The VCD spectrum of the monoterpene (-)-myrtenal (1) was compared with theoretical spectra using ab initio density functional theory (DFT) calculations at the B3LYP/6-31G(d,p), B3LYP/6-31G+(d,p), B3LYP/6-311G+(d,p), B3LYP/DGDZVP, and B3PW91/DGTZVP levels of theory. Conformational analysis of 1 indicated that the lowest energy conformer was s-trans-C2-C10, which contributes more than 98.5% to the total conformational population regardless of the employed level of theory. The use of a recently developed confidence level algorithm demonstrated that VCD spectra calculated for the main conformer, using the indicated hybrid functionals and basis set, gave no significant changes, from where it follows that B3LYP/DGDZVP calculations provide a superior balance between computer cost and VCD spectral accuracy. The DGDZVP basis set demanded around a quarter the time than the 6-311G+(d,p) basis set while providing similar results. The spectral comparison also provided evidence that the levorotatory enantiomer of myrtenal has the 1R absolute configuration. 2010 Elsevier Ltd. All rights reserved.

Exploring biorthonormal transformations of pair-correlation functions in atomic structure variational calculations

NASA Astrophysics Data System (ADS)

Verdebout, S.; Jönsson, P.; Gaigalas, G.; Godefroid, M.; Froese Fischer, C.

2010-04-01

Multiconfiguration expansions frequently target valence correlation and correlation between valence electrons and the outermost core electrons. Correlation within the core is often neglected. A large orbital basis is needed to saturate both the valence and core-valence correlation effects. This in turn leads to huge numbers of configuration state functions (CSFs), many of which are unimportant. To avoid the problems inherent to the use of a single common orthonormal orbital basis for all correlation effects in the multiconfiguration Hartree-Fock (MCHF) method, we propose to optimize independent MCHF pair-correlation functions (PCFs), bringing their own orthonormal one-electron basis. Each PCF is generated by allowing single- and double-excitations from a multireference (MR) function. This computational scheme has the advantage of using targeted and optimally localized orbital sets for each PCF. These pair-correlation functions are coupled together and with each component of the MR space through a low dimension generalized eigenvalue problem. Nonorthogonal orbital sets being involved, the interaction and overlap matrices are built using biorthonormal transformation of the coupled basis sets followed by a counter-transformation of the PCF expansions. Applied to the ground state of beryllium, the new method gives total energies that are lower than the ones from traditional complete active space (CAS)-MCHF calculations using large orbital active sets. It is fair to say that we now have the possibility to account for, in a balanced way, correlation deep down in the atomic core in variational calculations.

Identification of dynamic characteristics of flexible rotors as dynamic inverse problem

NASA Technical Reports Server (NTRS)

Roisman, W. P.; Vajingortin, L. D.

1991-01-01

The problem of dynamic and balancing of flexible rotors were considered, which were set and solved as the problem of the identification of flexible rotor systems, which is the same as the inverse problem of the oscillation theory dealing with the task of the identifying the outside influences and system parameters on the basis of the known laws of motion. This approach to the problem allows the disclosure the picture of disbalances throughout the rotor-under-test (which traditional methods of flexible rotor balancing, based on natural oscillations, could not provide), and identify dynamic characteristics of the system, which correspond to a selected mathematical model. Eventually, various methods of balancing were developed depending on the special features of the machines as to their design, technology, and operation specifications. Also, theoretical and practical methods are given for the flexible rotor balancing at far from critical rotation frequencies, which does not necessarily require the knowledge forms of oscillation, dissipation, and elasticity and inertia characteristics, and to use testing masses.

Fatigue-Induced Balance Impairment in Young Soccer Players

PubMed Central

Pau, Massimiliano; Ibba, Gianfranco; Attene, Giuseppe

2014-01-01

Context: Although balance is generally recognized to be an important feature in ensuring good performance in soccer, its link with functional performance remains mostly unexplored, especially in young athletes. Objective: To investigate changes in balance induced by fatigue for unipedal and bipedal static stances in young soccer players. Design: Crossover study. Setting: Biomechanics laboratory and outdoor soccer field. Patients or Other Participants: Twenty-one male soccer players (age = 14.5 ± 0.2 years, height = 164.5 ± 5.6 cm, mass = 56.8 ± 6.8 kg). Intervention(s): Static balance was assessed with postural-sway analysis in unipedal and bipedal upright stance before and after a fatigue protocol consisting of a repeated sprint ability (RSA) test (2 × 15-m shuttle sprint interspersed with 20 seconds of passive recovery, repeated 6 times). Main Outcome Measure(s): On the basis of the center-of-pressure (COP) time series acquired during the experimental tests, we measured sway area, COP path length, and COP maximum displacement and velocity in the anteroposterior and mediolateral directions. Results: Fatigue increased all sway values in bipedal stance and all values except COP velocity in the mediolateral direction in unipedal stance. Fatigue index (calculated on the basis of RSA performance) was positively correlated with fatigue/rest sway ratio for COP path length and COP velocity in the anteroposterior and mediolateral directions for nondominant single-legged stance. Conclusions: Fatigued players exhibited reduced performance of the postural-control system. Participants with better performance in the RSA test appeared less affected by balance impairment, especially in single-legged stance. PMID:24568227

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.

Theoretical study of the diatomic alkali and alkaline-earth oxides

NASA Technical Reports Server (NTRS)

Langhoff, S. R.; Bauschlicher, C. W., Jr.; Partridge, H.

1986-01-01

Theoretical dissociation energies for the ground states of the alkali and alkaline earth oxides are presented that are believed to be accurate to 0.1 eV. The 2 Pi - 2 Sigma + separations for the alkali oxides are found to be more sensitive to basis set than to electron correlation. Predicted 2 Pi ground states for LiO and NaO and 2 Sigma + ground states for RbO and CsO are found to be in agreement with previous theoretical and experimental work. For KO, a 2 Sigma + state is found at both the numerical Hartree-Fock (NHF) level and at the singles plus doubles configuration interaction level using a Slater basis set that is within 0.02 eV of the NHF limit. It is found that an accurate balanced treatment of the two states requires correlating the electrons on both the metal and oxide ion.

Calculation of smooth potential energy surfaces using local electron correlation methods

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

Mata, Ricardo A.; Werner, Hans-Joachim

2006-11-14

The geometry dependence of excitation domains in local correlation methods can lead to noncontinuous potential energy surfaces. We propose a simple domain merging procedure which eliminates this problem in many situations. The method is applied to heterolytic bond dissociations of ketene and propadienone, to SN2 reactions of Cl{sup -} with alkylchlorides, and in a quantum mechanical/molecular mechanical study of the chorismate mutase enzyme. It is demonstrated that smooth potentials are obtained in all cases. Furthermore, basis set superposition error effects are reduced in local calculations, and it is found that this leads to better basis set convergence when computing barriermore » heights or weak interactions. When the electronic structure strongly changes between reactants or products and the transition state, the domain merging procedure leads to a balanced description of all structures and accurate barrier heights.« less

Linear constraint relations in biochemical reaction systems: I. Classification of the calculability and the balanceability of conversion rates.

PubMed

van der Heijden, R T; Heijnen, J J; Hellinga, C; Romein, B; Luyben, K C

1994-01-05

Measurements provide the basis for process monitoring and control as well as for model development and validation. Systematic approaches to increase the accuracy and credibility of the empirical data set are therefore of great value. In (bio)chemical conversions, linear conservation relations such as the balance equations for charge, enthalpy, and/or chemical elements, can be employed to relate conversion rates. In a pactical situation, some of these rates will be measured (in effect, be calculated directly from primary measurements of, e.g., concentrations and flow rates), as others can or cannot be calculated from the measured ones. When certain measured rates can also be calculated from other measured rates, the set of equations, the accuracy and credibility of the measured rates can indeed be improved by, respectively, balancing and gross error diagnosis. The balanced conversion rates are more accurate, and form a consistent set of data, which is more suitable for further application (e.g., to calculate nonmeasured rates) than the raw measurements. Such an approach has drawn attention in previous studies. The current study deals mainly with the problem of mathematically classifying the conversion rates into balanceable and calculable rates, given the subset of measured rates. The significance of this problem is illustrated with some examples. It is shown that a simple matrix equation can be derived that contains the vector of measured conversion rates and the redundancy matrix R. Matrix R plays a predominant role in the classification problem. In supplementary articles, significance of the redundancy matrix R for an improved gross error diagnosis approach will be shown. In addition, efficient equations have been derived to calculate the balanceable and/or calculable rates. The method is completely based on matrix algebra (principally different from the graph-theoretical approach), and it is easily implemented into a computer program. (c) 1994 John Wiley & Sons, Inc.

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.

Respiratory Muscle Plasticity

PubMed Central

Gransee, Heather M.; Mantilla, Carlos B.; Sieck, Gary C.

2014-01-01

Muscle plasticity is defined as the ability of a given muscle to alter its structural and functional properties in accordance with the environmental conditions imposed on it. As such, respiratory muscle is in a constant state of remodeling, and the basis of muscle’s plasticity is its ability to change protein expression and resultant protein balance in response to varying environmental conditions. Here, we will describe the changes of respiratory muscle imposed by extrinsic changes in mechanical load, activity, and innervation. Although there is a large body of literature on the structural and functional plasticity of respiratory muscles, we are only beginning to understand the molecular-scale protein changes that contribute to protein balance. We will give an overview of key mechanisms regulating protein synthesis and protein degradation, as well as the complex interactions between them. We suggest future application of a systems biology approach that would develop a mathematical model of protein balance and greatly improve treatments in a variety of clinical settings related to maintaining both muscle mass and optimal contractile function of respiratory muscles. PMID:23798306

An Optimal Set of Flesh Points on Tongue and Lips for Speech-Movement Classification

PubMed Central

Samal, Ashok; Rong, Panying; Green, Jordan R.

2016-01-01

Purpose The authors sought to determine an optimal set of flesh points on the tongue and lips for classifying speech movements. Method The authors used electromagnetic articulographs (Carstens AG500 and NDI Wave) to record tongue and lip movements from 13 healthy talkers who articulated 8 vowels, 11 consonants, a phonetically balanced set of words, and a set of short phrases during the recording. We used a machine-learning classifier (support-vector machine) to classify the speech stimuli on the basis of articulatory movements. We then compared classification accuracies of the flesh-point combinations to determine an optimal set of sensors. Results When data from the 4 sensors (T1: the vicinity between the tongue tip and tongue blade; T4: the tongue-body back; UL: the upper lip; and LL: the lower lip) were combined, phoneme and word classifications were most accurate and were comparable with the full set (including T2: the tongue-body front; and T3: the tongue-body front). Conclusion We identified a 4-sensor set—that is, T1, T4, UL, LL—that yielded a classification accuracy (91%–95%) equivalent to that using all 6 sensors. These findings provide an empirical basis for selecting sensors and their locations for scientific and emerging clinical applications that incorporate articulatory movements. PMID:26564030

Balance and gait analysis of senior tumble-prone patients with cerebrovascular disease.

PubMed

Fang, Hong

2017-05-01

This study aims to observe the tumble status for senior patients with cerebrovascular disease, and to analyze the balance and gait condition in order to provide the basis for clinical prevention and nursing care. A total of 48 senior patients with cerebrovascular disease were investigated with the Tinetti balance and gait evaluation, and the relation between tumble occurrence and balance ability was interrogated. The total score of balance evaluation value and gait value for 89.1% of the senior patients with cerebrovascular disease was fewer than 19 points, which indicated a risk of tumble. The majority of patients could not complete the immediate standing balance well, turning stand balance, mild chest-pushed balance and eyes-closed standing balance. The occurrence of immediate standing balance and turning stand balance fewer than three times was less frequent than the occurrence of tumble for one time, which had significant difference (P<0.05). The senior patients with cerebrovascular disease and immediate standing balance and turning stand balance could easily tumble many times, which was crucial for the nursing staff to carry out preventive strategies. Detailed observations of balance and gait function for senior patients were described, which provided a promising basis for designing appropriate nursing measures.

26 CFR 1.163-10T - Qualified residence interest (temporary).

Code of Federal Regulations, 2010 CFR

2010-04-01

... general. (ii)Example. (g)Selection of method. (h)Average balance. (1)Average balance defined. (2)Average balance reported by lender. (3)Average balance computed on a daily basis. (i)In general. (ii)Example. (4)Average balance computed using the interest rate. (i)In general. (ii)Points and prepaid interest. (iii...

Fee-for-service payment - an evil practice that must be stamped out?

PubMed

Ikegami, Naoki

2015-02-01

Co-opting physicians to regulate Fee-for-Service (FFS) payment is more feasible and simpler to administer than capitation, Diagnosis-Related Groups (DRGs) and pay-for-performance. The key lies in designing and revising the fee schedule, which not only defines and sets the fee for each item, but also the conditions of billing. Adherence to these regulations must be strictly audited in order to control volume and costs, and to assure quality. The fee schedule requires periodic revisions on an item-by-item basis in order to maintain balance among the providers, to list new drugs, devices and equipment, and to reflect the lower market prices of existing ones. Implementing the fee schedule will facilitate the control of balance billing and extra billing, and the introduction of more sophisticated methods of payment in the future.

76 FR 79177 - Policy Statement Concerning Adjustments to the Insurance Premiums and Policy Statement on the...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-12-21

... Credit System Financial Assistance Corporation (FAC) stockholders; allocate any excess balances above the... between zero and the statutory rate of 20 basis points. The Board will not reduce the 10 basis points...; allocate any excess balances above the SBA to these AIRAs; and make partial distributions of the excess...

A well-balanced meshless tsunami propagation and inundation model

NASA Astrophysics Data System (ADS)

Brecht, Rüdiger; Bihlo, Alexander; MacLachlan, Scott; Behrens, Jörn

2018-05-01

We present a novel meshless tsunami propagation and inundation model. We discretize the nonlinear shallow-water equations using a well-balanced scheme relying on radial basis function based finite differences. For the inundation model, radial basis functions are used to extrapolate the dry region from nearby wet points. Numerical results against standard one- and two-dimensional benchmarks are presented.

Scaled MP3 non-covalent interaction energies agree closely with accurate CCSD(T) benchmark data.

PubMed

Pitonák, Michal; Neogrády, Pavel; Cerný, Jirí; Grimme, Stefan; Hobza, Pavel

2009-01-12

Scaled MP3 interaction energies calculated as a sum of MP2/CBS (complete basis set limit) interaction energies and scaled third-order energy contributions obtained in small or medium size basis sets agree very closely with the estimated CCSD(T)/CBS interaction energies for the 22 H-bonded, dispersion-controlled and mixed non-covalent complexes from the S22 data set. Performance of this so-called MP2.5 (third-order scaling factor of 0.5) method has also been tested for 33 nucleic acid base pairs and two stacked conformers of porphine dimer. In all the test cases, performance of the MP2.5 method was shown to be superior to the scaled spin-component MP2 based methods, e.g. SCS-MP2, SCSN-MP2 and SCS(MI)-MP2. In particular, a very balanced treatment of hydrogen-bonded compared to stacked complexes is achieved with MP2.5. The main advantage of the approach is that it employs only a single empirical parameter and is thus biased by two rigorously defined, asymptotically correct ab-initio methods, MP2 and MP3. The method is proposed as an accurate but computationally feasible alternative to CCSD(T) for the computation of the properties of various kinds of non-covalently bound systems.

Understanding the fast pyrolysis of lignin.

PubMed

Patwardhan, Pushkaraj R; Brown, Robert C; Shanks, Brent H

2011-11-18

In the present study, pyrolysis of corn stover lignin was investigated by using a micro-pyrolyzer coupled with a GC-MS/FID (FID=flame ionization detector). The system has pyrolysis-vapor residence times of 15-20 ms, thus providing a regime of minimal secondary reactions. The primary pyrolysis product distribution obtained from lignin is reported. Over 84 % mass balance and almost complete closure on carbon balance is achieved. In another set of experiments, the pyrolysis vapors emerging from the micro-pyrolyzer are condensed to obtain lignin-derived bio-oil. The chemical composition of the bio-oil is analyzed by using GC-MS and gel permeation chromatography techniques. The comparison between results of two sets of experiments indicates that monomeric compounds are the primary pyrolysis products of lignin, which recombine after primary pyrolysis to produce oligomeric compounds. Further, the effect of minerals (NaCl, KCl, MgCl(2), and CaCl(2)) and temperature on the primary pyrolysis product distribution is investigated. The study provides insights into the fundamental mechanisms of lignin pyrolysis and a basis for developing more descriptive models of biomass pyrolysis. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A constitutive theory of reacting electrolyte mixtures

NASA Astrophysics Data System (ADS)

Costa Reis, Martina; Wang, Yongqi; Bono Maurizio Sacchi Bassi, Adalberto

2013-11-01

A constitutive theory of reacting electrolyte mixtures is formulated. The intermolecular interactions among the constituents of the mixture are accounted for through additional freedom degrees to each constituent of the mixture. Balance equations for polar reacting continuum mixtures are accordingly formulated and a proper set of constitutive equations is derived with basis in the Müller-Liu formulation of the second law of thermodynamics. Moreover, the non-equilibrium and equilibrium responses of the reacting mixture are investigated in detail by emphasizing the inner and reactive structures of the medium. From the balance laws and constitutive relations, the effects of molecular structure of constituents upon the fluid flow are studied. It is also demonstrated that the local thermodynamic equilibrium state can be reached without imposing that the set of independent constitutive variables is time independent, neither spatially homogeneous nor null. The resulting constitutive relations presented throughout this work are of relevance to many practical applications, such as swelling of clays, developing of bio and polymeric membranes, and use of electrorheological fluids in industrial processes. The first author acknowledges financial support from National Counsel of Technological and Scientific Development (CNPq) and German Academic Exchange Service (DAAD).

Galerkin method for unsplit 3-D Dirac equation using atomically/kinetically balanced B-spline basis

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

Fillion-Gourdeau, F., E-mail: filliong@CRM.UMontreal.ca; Centre de Recherches Mathématiques, Université de Montréal, Montréal, H3T 1J4; Lorin, E., E-mail: elorin@math.carleton.ca

2016-02-15

A Galerkin method is developed to solve the time-dependent Dirac equation in prolate spheroidal coordinates for an electron–molecular two-center system. The initial state is evaluated from a variational principle using a kinetic/atomic balanced basis, which allows for an efficient and accurate determination of the Dirac spectrum and eigenfunctions. B-spline basis functions are used to obtain high accuracy. This numerical method is used to compute the energy spectrum of the two-center problem and then the evolution of eigenstate wavefunctions in an external electromagnetic field.

The underlying pathway structure of biochemical reaction networks

PubMed Central

Schilling, Christophe H.; Palsson, Bernhard O.

1998-01-01

Bioinformatics is yielding extensive, and in some cases complete, genetic and biochemical information about individual cell types and cellular processes, providing the composition of living cells and the molecular structure of its components. These components together perform integrated cellular functions that now need to be analyzed. In particular, the functional definition of biochemical pathways and their role in the context of the whole cell is lacking. In this study, we show how the mass balance constraints that govern the function of biochemical reaction networks lead to the translation of this problem into the realm of linear algebra. The functional capabilities of biochemical reaction networks, and thus the choices that cells can make, are reflected in the null space of their stoichiometric matrix. The null space is spanned by a finite number of basis vectors. We present an algorithm for the synthesis of a set of basis vectors for spanning the null space of the stoichiometric matrix, in which these basis vectors represent the underlying biochemical pathways that are fundamental to the corresponding biochemical reaction network. In other words, all possible flux distributions achievable by a defined set of biochemical reactions are represented by a linear combination of these basis pathways. These basis pathways thus represent the underlying pathway structure of the defined biochemical reaction network. This development is significant from a fundamental and conceptual standpoint because it yields a holistic definition of biochemical pathways in contrast to definitions that have arisen from the historical development of our knowledge about biochemical processes. Additionally, this new conceptual framework will be important in defining, characterizing, and studying biochemical pathways from the rapidly growing information on cellular function. PMID:9539712

Surface Energy Balance System for Estimating Daily Evapotranspiration Rates in the Texas High Plains

USDA-ARS?s Scientific Manuscript database

Numerous energy balance (EB) algorithms have been developed to use remote sensing data for mapping evapotranspiration (ET) on a regional basis. Adopting any single or a combination of these models for an operational ET remote sensing program requires thorough evaluation. The Surface Energy Balance S...

Basis for selecting optimum antibiotic regimens for secondary peritonitis.

PubMed

Maseda, Emilio; Gimenez, Maria-Jose; Gilsanz, Fernando; Aguilar, Lorenzo

2016-01-01

Adequate management of severely ill patients with secondary peritonitis requires supportive therapy of organ dysfunction, source control of infection and antimicrobial therapy. Since secondary peritonitis is polymicrobial, appropriate empiric therapy requires combination therapy in order to achieve the needed coverage for both common and more unusual organisms. This article reviews etiological agents, resistance mechanisms and their prevalence, how and when to cover them and guidelines for treatment in the literature. Local surveillances are the basis for the selection of compounds in antibiotic regimens, which should be further adapted to the increasing number of patients with risk factors for resistance (clinical setting, comorbidities, previous antibiotic treatments, previous colonization, severity…). Inadequate antimicrobial regimens are strongly associated with unfavorable outcomes. Awareness of resistance epidemiology and of clinical consequences of inadequate therapy against resistant bacteria is crucial for clinicians treating secondary peritonitis, with delicate balance between optimization of empirical therapy (improving outcomes) and antimicrobial overuse (increasing resistance emergence).

[Checklist Development for Women-Doctor-Friendly Working Conditions in a Hospital Setting].

PubMed

Horie, Saki; Takeuchi, Masumi; Yamaoka, Kazue; Nohara, Michiko; Hasunuma, Naoko; Okinaga, Hiroko; Nomura, Kyoko

2015-01-01

This study aims to develop a scale of "women-doctor-friendly working conditions in a hospital setting". A task team consisting of relevant people including a medical doctor and a hospital personnel identified 36 items related to women-doctor-friendly working conditions. From December in 2012 to January in 2013, we sent a self-administered questionnaire to 807 full-time employees including faculty members and medical doctors who worked for a university-affiliated hospital. We asked them to score the extent to which they think it is necessary for women doctors to balance between work and gender role responsibilities on the basis of the Likert scale. We carried out a factor analysis and computed Cronbach's alpha to develop a scale and investigated its construct validity and reliability. Of the 807 employees, 291 returned the questionnaires (response rate, 36.1%). The item-total correlation (between an individual item score and the total score) coefficient was in the range from 0.44 to 0.68. In factor analysis, we deleted six items, and five factors were extracted on the basis of the least likelihood method with the oblique Promax rotation. The factors were termed "gender equality action in an organization", "the compliance of care leave in both sexes and parental leave in men", "balance between life events and work", "childcare support at the workplace", and "flexible employment status". The Cronbach's alpha values of all the factors and the total items were 0.82-0.89 and 0.93, respectively, suggesting that the scale we developed has high reliability. The result indicated that the scale of women-doctor-friendly working conditions consisting of five factors with 30 items is highly validated and reliable.

Sparse Gaussian elimination with controlled fill-in on a shared memory multiprocessor

NASA Technical Reports Server (NTRS)

Alaghband, Gita; Jordan, Harry F.

1989-01-01

It is shown that in sparse matrices arising from electronic circuits, it is possible to do computations on many diagonal elements simultaneously. A technique for obtaining an ordered compatible set directly from the ordered incompatible table is given. The ordering is based on the Markowitz number of the pivot candidates. This technique generates a set of compatible pivots with the property of generating few fills. A novel heuristic algorithm is presented that combines the idea of an order-compatible set with a limited binary tree search to generate several sets of compatible pivots in linear time. An elimination set for reducing the matrix is generated and selected on the basis of a minimum Markowitz sum number. The parallel pivoting technique presented is a stepwise algorithm and can be applied to any submatrix of the original matrix. Thus, it is not a preordering of the sparse matrix and is applied dynamically as the decomposition proceeds. Parameters are suggested to obtain a balance between parallelism and fill-ins. Results of applying the proposed algorithms on several large application matrices using the HEP multiprocessor (Kowalik, 1985) are presented and analyzed.

Construction of energy-stable Galerkin reduced order models.

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

Kalashnikova, Irina; Barone, Matthew Franklin; Arunajatesan, Srinivasan

2013-05-01

This report aims to unify several approaches for building stable projection-based reduced order models (ROMs). Attention is focused on linear time-invariant (LTI) systems. The model reduction procedure consists of two steps: the computation of a reduced basis, and the projection of the governing partial differential equations (PDEs) onto this reduced basis. Two kinds of reduced bases are considered: the proper orthogonal decomposition (POD) basis and the balanced truncation basis. The projection step of the model reduction can be done in two ways: via continuous projection or via discrete projection. First, an approach for building energy-stable Galerkin ROMs for linear hyperbolicmore » or incompletely parabolic systems of PDEs using continuous projection is proposed. The idea is to apply to the set of PDEs a transformation induced by the Lyapunov function for the system, and to build the ROM in the transformed variables. The resulting ROM will be energy-stable for any choice of reduced basis. It is shown that, for many PDE systems, the desired transformation is induced by a special weighted L2 inner product, termed the %E2%80%9Csymmetry inner product%E2%80%9D. Attention is then turned to building energy-stable ROMs via discrete projection. A discrete counterpart of the continuous symmetry inner product, a weighted L2 inner product termed the %E2%80%9CLyapunov inner product%E2%80%9D, is derived. The weighting matrix that defines the Lyapunov inner product can be computed in a black-box fashion for a stable LTI system arising from the discretization of a system of PDEs in space. It is shown that a ROM constructed via discrete projection using the Lyapunov inner product will be energy-stable for any choice of reduced basis. Connections between the Lyapunov inner product and the inner product induced by the balanced truncation algorithm are made. Comparisons are also made between the symmetry inner product and the Lyapunov inner product. The performance of ROMs constructed using these inner products is evaluated on several benchmark test cases.« less

Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks.

PubMed

Saravanan, Chandra; Shao, Yihan; Baer, Roi; Ross, Philip N; Head-Gordon, Martin

2003-04-15

A sparse matrix multiplication scheme with multiatom blocks is reported, a tool that can be very useful for developing linear-scaling methods with atom-centered basis functions. Compared to conventional element-by-element sparse matrix multiplication schemes, efficiency is gained by the use of the highly optimized basic linear algebra subroutines (BLAS). However, some sparsity is lost in the multiatom blocking scheme because these matrix blocks will in general contain negligible elements. As a result, an optimal block size that minimizes the CPU time by balancing these two effects is recovered. In calculations on linear alkanes, polyglycines, estane polymers, and water clusters the optimal block size is found to be between 40 and 100 basis functions, where about 55-75% of the machine peak performance was achieved on an IBM RS6000 workstation. In these calculations, the blocked sparse matrix multiplications can be 10 times faster than a standard element-by-element sparse matrix package. Copyright 2003 Wiley Periodicals, Inc. J Comput Chem 24: 618-622, 2003

A 30-year record of surface mass balance (1966-95) and motion and surface altitude (1975-95) at Wolverine Glacier, Alaska

USGS Publications Warehouse

Mayo, Lawrence R.; Trabant, Dennis C.; March, Rod S.

2004-01-01

Scientific measurements at Wolverine Glacier, on the Kenai Peninsula in south-central Alaska, began in April 1966. At three long-term sites in the research basin, the measurements included snow depth, snow density, heights of the glacier surface and stratigraphic summer surfaces on stakes, and identification of the surface materials. Calculations of the mass balance of the surface strata-snow, new firn, superimposed ice, and old firn and ice mass at each site were based on these measurements. Calculations of fixed-date annual mass balances for each hydrologic year (October 1 to September 30), as well as net balances and the dates of minimum net balance measured between time-transgressive summer surfaces on the glacier, were made on the basis of the strata balances augmented by air temperature and precipitation recorded in the basin. From 1966 through 1995, the average annual balance at site A (590 meters altitude) was -4.06 meters water equivalent; at site B (1,070 meters altitude), was -0.90 meters water equivalent; and at site C (1,290 meters altitude), was +1.45 meters water equivalent. Geodetic determination of displacements of the mass balance stake, and glacier surface altitudes was added to the data set in 1975 to detect the glacier motion responses to variable climate and mass balance conditions. The average surface speed from 1975 to 1996 was 50.0 meters per year at site A, 83.7 meters per year at site B, and 37.2 meters per year at site C. The average surface altitudes were 594 meters at site A, 1,069 meters at site B, and 1,293 meters at site C; the glacier surface altitudes rose and fell over a range of 19.4 meters at site A, 14.1 meters at site B, and 13.2 meters at site C.

[Nitrogen balance in dairy farm: research progress].

PubMed

Lü, Chao; Qin, Wen-Xiao; Gao, Teng-Yun; Wang, Xiao-Xiao; Han, Zhi-Guo; Li, Jia

2013-01-01

Large dairy farm with intensive management has high stocking density, but generally does not have enough space and normative feces disposal system, resulting in the discharged nitrogen surpassed the environmental carrying capacity of unit area land. Dairy farm is one of the major emission sources of nitrogen discharges in agriculture, where the nitrogen balance has being aroused attention by the experts abroad. The research on the nitrogen flow and nitrogen balance in dairy farm is the basis of the dairy farm nitrogen cycling and management study, as well as the basis for the construction of environmental laws, regulations and policies. The most reliable indicators to evaluate the nitrogen flow and nitrogen balance in dairy farm are nitrogen surplus and nitrogen use efficiency. This paper introduced the concept of nitrogen balance on farm-scale and the nitrogen flow within farm, compared the application scope of nitrogen surplus and nitrogen use efficiency, analyzed the factors affecting the nitrogen balance in dairy farm, and summarized the effective strategies to reduce the nitrogen discharges from dairy farm, aimed to provide references for the nitrogen management of dairy farm in China.

Refined energetic ordering for sulphate-water (n = 3-6) clusters using high-level electronic structure calculations

NASA Astrophysics Data System (ADS)

Lambrecht, Daniel S.; McCaslin, Laura; Xantheas, Sotiris S.; Epifanovsky, Evgeny; Head-Gordon, Martin

2012-10-01

This work reports refinements of the energetic ordering of the known low-energy structures of sulphate-water clusters ? (n = 3-6) using high-level electronic structure methods. Coupled cluster singles and doubles with perturbative triples (CCSD(T)) is used in combination with an estimate of basis set effects up to the complete basis set limit using second-order Møller-Plesset theory. Harmonic zero-point energy (ZPE), included at the B3LYP/6-311 + + G(3df,3pd) level, was found to have a significant effect on the energetic ordering. In fact, we show that the energetic ordering is a result of a delicate balance between the electronic and vibrational energies. Limitations of the ZPE calculations, both due to electronic structure errors, and use of the harmonic approximation, probably constitute the largest remaining errors. Due to the often small energy differences between cluster isomers, and the significant role of ZPE, deuteration can alter the relative energies of low-lying structures, and, when it is applied in conjunction with calculated harmonic ZPEs, even alters the global minimum for n = 5. Experiments on deuterated clusters, as well as more sophisticated vibrational calculations, may therefore be quite interesting.

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.

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

Recent Advances in Face Lift to Achieve Facial Balance.

PubMed

Ilankovan, Velupillai

2017-03-01

Facial balance is achieved by correction of facial proportions and the facial contour. Ageing affects this balance in addition to other factors. We have strived to inform all the recent advances in providing this balance. The anatomy of ageing including various changed in clinical features are described. The procedures are explained on the basis of the upper, middle and lower face. Different face lift, neck lift procedures with innovative techniques are demonstrated. The aim is to provide an unoperated balanced facial proportion with zero complication.

[Brief disserting on the balance of internal environment in burn disease].

PubMed

Han, C M; Wang, X G

2017-08-20

The essential internal environment in human being involves water, electrolyte, and acid-base balance, which is the basis of balance and stability of internal environment in other systems. For burn patients, the balance of internal environment, referring to metabolism, nutrition, inflammatory response, and immunoreaction, is one of the most important aspects in burn disease. This paper aims to briefly elaborate the balance of internal environment after burn, with the purpose to promote the basic and clinical research in this field.

Electronic Warfare: Comprehensive Strategy Still Needed for Suppressing Enemy Air Defenses

NASA Astrophysics Data System (ADS)

2002-11-01

U.S. military aircraft are often at great risk from enemy air defenses, and the services use specialized aircraft to neutralize or destroy them. In January 2001, GAO reported that a gap existed between the services' suppression capabilities and their needs and recommended that a comprehensive strategy was needed to fix the situation. In response to GAO's report, DOD emphasized that a major study underway at the time would provide the basis for a Department-wide strategy and lead to a balanced set of acquisition programs between the services. This report updates our previous work and assesses actions that DOD has taken to improve its suppression capabilities.

Water and solute balances as a basis for sustainable irrigation agriculture

NASA Astrophysics Data System (ADS)

Pla-Sentís, Ildefonso

2015-04-01

The growing development of irrigated agriculture is necessary for the sustainable production of the food required by the increasing World's population. Such development is limited by the increasing scarcity and low quality of the available water resources and by the competitive use of the water for other purposes. There are also increasing problems of contamination of surface and ground waters to be used for other purposes by the drainage effluents of irrigated lands. Irrigation and drainage may cause drastic changes in the regime and balance of water and solutes (salts, sodium, contaminants) in the soil profile, resulting in problems of water supply to crops and problems of salinization, sodification and contamination of soils and ground waters. This is affected by climate, crops, soils, ground water depth, irrigation and groundwater composition, and by irrigation and drainage management. In order to predict and prevent such problems for a sustainable irrigated agriculture and increased efficiency in water use, under each particular set of conditions, there have to be considered both the hydrological, physical and chemical processes determining such water and solute balances in the soil profile. In this contribution there are proposed the new versions of two modeling approaches (SOMORE and SALSODIMAR) to predict those balances and to guide irrigation water use and management, integrating the different factors involved in such processes. Examples of their application under Mediterranean and tropical climate conditions are also presented.

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.

40 CFR 60.104a - Performance tests.

Code of Federal Regulations, 2012 CFR

2012-07-01

... (dry basis); K1 = Material balance and conversion factor, 0.2982 (kg-min)/(hr-dsc-%) [0.0186 (lb-min)/(hr-dscf-%)]; K2 = Material balance and conversion factor, 2.088 (kg-min)/(hr-dscm) [0.1303 (lb-min)/(hr-dscf)]; and K3 = Material balance and conversion factor, 0.0994 (kg-min)/(hr-dscm-%) [0.00624 (lb...

40 CFR 60.104a - Performance tests.

Code of Federal Regulations, 2010 CFR

2010-07-01

... (dry basis); K1 = Material balance and conversion factor, 0.2982 (kg-min)/(hr-dsc-%) [0.0186 (lb-min)/(hr-dscf-%)]; K2 = Material balance and conversion factor, 2.088 (kg-min)/(hr-dscm) [0.1303 (lb-min)/(hr-dscf)]; and K3 = Material balance and conversion factor, 0.0994 (kg-min)/(hr-dscm-%) [0.00624 (lb...

40 CFR 60.104a - Performance tests.

Code of Federal Regulations, 2013 CFR

2013-07-01

... (dry basis); K1 = Material balance and conversion factor, 0.2982 (kg-min)/(hr-dscm-%) [0.0186 (lb-min)/(hr-dscf-%)]; K2 = Material balance and conversion factor, 2.088 (kg-min)/(hr-dscm) [0.1303 (lb-min)/(hr-dscf)]; and K3 = Material balance and conversion factor, 0.0994 (kg-min)/(hr-dscm-%) [0.00624 (lb...

40 CFR 60.104a - Performance tests.

Code of Federal Regulations, 2011 CFR

2011-07-01

... (dry basis); K1 = Material balance and conversion factor, 0.2982 (kg-min)/(hr-dsc-%) [0.0186 (lb-min)/(hr-dscf-%)]; K2 = Material balance and conversion factor, 2.088 (kg-min)/(hr-dscm) [0.1303 (lb-min)/(hr-dscf)]; and K3 = Material balance and conversion factor, 0.0994 (kg-min)/(hr-dscm-%) [0.00624 (lb...

40 CFR 60.104a - Performance tests.

Code of Federal Regulations, 2014 CFR

2014-07-01

... (dry basis); K1 = Material balance and conversion factor, 0.2982 (kg-min)/(hr-dscm-%) [0.0186 (lb-min)/(hr-dscf-%)]; K2 = Material balance and conversion factor, 2.088 (kg-min)/(hr-dscm) [0.1303 (lb-min)/(hr-dscf)]; and K3 = Material balance and conversion factor, 0.0994 (kg-min)/(hr-dscm-%) [0.00624 (lb...

Growth-differentiation balance: a basis for understanding southern pine beetle - tree interactions

Treesearch

Peter L. Lorio

1986-01-01

Interrelationships between the southern pine beetle (SPB), Dendroctonus frontalis Zimm.) and its host pines are explained in terms of the growth-differentiation balance concept.A general hypothesis is proposed based on growth-differentiation balance in southern pines (radial growth of stems versus synthesis and yield of oleoresin) and seasonal activity of the SPB based...

Generalization of some hidden subgroup algorithms for input sets of arbitrary size

NASA Astrophysics Data System (ADS)

Poslu, Damla; Say, A. C. Cem

2006-05-01

We consider the problem of generalizing some quantum algorithms so that they will work on input domains whose cardinalities are not necessarily powers of two. When analyzing the algorithms we assume that generating superpositions of arbitrary subsets of basis states whose cardinalities are not necessarily powers of two perfectly is possible. We have taken Ballhysa's model as a template and have extended it to Chi, Kim and Lee's generalizations of the Deutsch-Jozsa algorithm and to Simon's algorithm. With perfectly equal superpositions of input sets of arbitrary size, Chi, Kim and Lee's generalized Deutsch-Jozsa algorithms, both for evenly-distributed and evenly-balanced functions, worked with one-sided error property. For Simon's algorithm the success probability of the generalized algorithm is the same as that of the original for input sets of arbitrary cardinalities with equiprobable superpositions, since the property that the measured strings are all those which have dot product zero with the string we search, for the case where the function is 2-to-1, is not lost.

History of computer-assisted orthopedic surgery (CAOS) in sports medicine.

PubMed

Jackson, Douglas W; Simon, Timothy M

2008-06-01

Computer-assisted orthopedic surgery and navigation applications have a history rooted in the desire to link imaging technology with real-time anatomic landmarks. Although applications are still evolving in the clinical and research setting, computer-assisted orthopedic surgery has already demonstrated in certain procedures its potential for improving the surgeon's accuracy, reproducibility (once past the learning curve), and in reducing outlier outcomes. It is also being used as an educational tool to assist less experienced surgeons in interpreting measurements and precision placements related to well defined anatomic landmarks. It also can assist experienced surgeons, in real-time, plan their bony cuts, tunnel placement, and with ligament balancing. Presently, the additional time, the expense to acquire the needed software and hardware, and restricted reimbursement have slowed the widespread use of navigation. Its current applications have been primarily in joint replacement surgery, spine surgery, and trauma. It has not been widely used in the clinical setting for sports medicine procedures. Sports medicine applications such as individualizing tunnel placement in ligament surgery, opening wedge osteotomy with and without accompanying ligament reconstruction, and balancing and tensioning of the ligaments during the procedure (allowing real-time corrections if necessary) are currently being evaluated and being used on a limited clinical basis.

Water and salt balance modelling to predict the effects of land-use changes in forested catchments. 1. Small catchment water balance model

NASA Astrophysics Data System (ADS)

Sivapalan, Murugesu; Ruprecht, John K.; Viney, Neil R.

1996-03-01

A long-term water balance model has been developed to predict the hydrological effects of land-use change (especially forest clearing) in small experimental catchments in the south-west of Western Australia. This small catchment model has been used as the building block for the development of a large catchment-scale model, and has also formed the basis for a coupled water and salt balance model, developed to predict the changes in stream salinity resulting from land-use and climate change. The application of the coupled salt and water balance model to predict stream salinities in two small experimental catchments, and the application of the large catchment-scale model to predict changes in water yield in a medium-sized catchment that is being mined for bauxite, are presented in Parts 2 and 3, respectively, of this series of papers.The small catchment model has been designed as a simple, robust, conceptually based model of the basic daily water balance fluxes in forested catchments. The responses of the catchment to rainfall and pan evaporation are conceptualized in terms of three interdependent subsurface stores A, B and F. Store A depicts a near-stream perched aquifer system; B represents a deeper, permanent groundwater system; and F is an intermediate, unsaturated infiltration store. The responses of these stores are characterized by a set of constitutive relations which involves a number of conceptual parameters. These parameters are estimated by calibration by comparing observed and predicted runoff. The model has performed very well in simulations carried out on Salmon and Wights, two small experimental catchments in the Collie River basin in south-west Western Australia. The results from the application of the model to these small catchments are presented in this paper.

Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization

PubMed Central

Christensen, Anders S.; Elstner, Marcus; Cui, Qiang

2015-01-01

Semi-empirical quantum mechanical methods traditionally expand the electron density in a minimal, valence-only electron basis set. The minimal-basis approximation causes molecular polarization to be underestimated, and hence intermolecular interaction energies are also underestimated, especially for intermolecular interactions involving charged species. In this work, the third-order self-consistent charge density functional tight-binding method (DFTB3) is augmented with an auxiliary response density using the chemical-potential equalization (CPE) method and an empirical dispersion correction (D3). The parameters in the CPE and D3 models are fitted to high-level CCSD(T) reference interaction energies for a broad range of chemical species, as well as dipole moments calculated at the DFT level; the impact of including polarizabilities of molecules in the parameterization is also considered. Parameters for the elements H, C, N, O, and S are presented. The Root Mean Square Deviation (RMSD) interaction energy is improved from 6.07 kcal/mol to 1.49 kcal/mol for interactions with one charged species, whereas the RMSD is improved from 5.60 kcal/mol to 1.73 for a set of 9 salt bridges, compared to uncorrected DFTB3. For large water clusters and complexes that are dominated by dispersion interactions, the already satisfactory performance of the DFTB3-D3 model is retained; polarizabilities of neutral molecules are also notably improved. Overall, the CPE extension of DFTB3-D3 provides a more balanced description of different types of non-covalent interactions than Neglect of Diatomic Differential Overlap type of semi-empirical methods (e.g., PM6-D3H4) and PBE-D3 with modest basis sets. PMID:26328834

Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization

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

Christensen, Anders S., E-mail: andersx@chem.wisc.edu, E-mail: cui@chem.wisc.edu; Cui, Qiang, E-mail: andersx@chem.wisc.edu, E-mail: cui@chem.wisc.edu; Elstner, Marcus

Semi-empirical quantum mechanical methods traditionally expand the electron density in a minimal, valence-only electron basis set. The minimal-basis approximation causes molecular polarization to be underestimated, and hence intermolecular interaction energies are also underestimated, especially for intermolecular interactions involving charged species. In this work, the third-order self-consistent charge density functional tight-binding method (DFTB3) is augmented with an auxiliary response density using the chemical-potential equalization (CPE) method and an empirical dispersion correction (D3). The parameters in the CPE and D3 models are fitted to high-level CCSD(T) reference interaction energies for a broad range of chemical species, as well as dipole moments calculatedmore » at the DFT level; the impact of including polarizabilities of molecules in the parameterization is also considered. Parameters for the elements H, C, N, O, and S are presented. The Root Mean Square Deviation (RMSD) interaction energy is improved from 6.07 kcal/mol to 1.49 kcal/mol for interactions with one charged species, whereas the RMSD is improved from 5.60 kcal/mol to 1.73 for a set of 9 salt bridges, compared to uncorrected DFTB3. For large water clusters and complexes that are dominated by dispersion interactions, the already satisfactory performance of the DFTB3-D3 model is retained; polarizabilities of neutral molecules are also notably improved. Overall, the CPE extension of DFTB3-D3 provides a more balanced description of different types of non-covalent interactions than Neglect of Diatomic Differential Overlap type of semi-empirical methods (e.g., PM6-D3H4) and PBE-D3 with modest basis sets.« less

Decomposability and convex structure of thermal processes

NASA Astrophysics Data System (ADS)

Mazurek, Paweł; Horodecki, Michał

2018-05-01

We present an example of a thermal process (TP) for a system of d energy levels, which cannot be performed without an instant access to the whole energy space. This TP is uniquely connected with a transition between some states of the system, that cannot be performed without access to the whole energy space even when approximate transitions are allowed. Pursuing the question about the decomposability of TPs into convex combinations of compositions of processes acting non-trivially on smaller subspaces, we investigate transitions within the subspace of states diagonal in the energy basis. For three level systems, we determine the set of extremal points of these operations, as well as the minimal set of operations needed to perform an arbitrary TP, and connect the set of TPs with thermomajorization criterion. We show that the structure of the set depends on temperature, which is associated with the fact that TPs cannot increase deterministically extractable work from a state—the conclusion that holds for arbitrary d level system. We also connect the decomposability problem with detailed balance symmetry of an extremal TPs.

Splendidly blended: a machine learning set up for CDU control

NASA Astrophysics Data System (ADS)

Utzny, Clemens

2017-06-01

As the concepts of machine learning and artificial intelligence continue to grow in importance in the context of internet related applications it is still in its infancy when it comes to process control within the semiconductor industry. Especially the branch of mask manufacturing presents a challenge to the concepts of machine learning since the business process intrinsically induces pronounced product variability on the background of small plate numbers. In this paper we present the architectural set up of a machine learning algorithm which successfully deals with the demands and pitfalls of mask manufacturing. A detailed motivation of this basic set up followed by an analysis of its statistical properties is given. The machine learning set up for mask manufacturing involves two learning steps: an initial step which identifies and classifies the basic global CD patterns of a process. These results form the basis for the extraction of an optimized training set via balanced sampling. A second learning step uses this training set to obtain the local as well as global CD relationships induced by the manufacturing process. Using two production motivated examples we show how this approach is flexible and powerful enough to deal with the exacting demands of mask manufacturing. In one example we show how dedicated covariates can be used in conjunction with increased spatial resolution of the CD map model in order to deal with pathological CD effects at the mask boundary. The other example shows how the model set up enables strategies for dealing tool specific CD signature differences. In this case the balanced sampling enables a process control scheme which allows usage of the full tool park within the specified tight tolerance budget. Overall, this paper shows that the current rapid developments off the machine learning algorithms can be successfully used within the context of semiconductor manufacturing.

Hyperfine coupling constants of the nitrogen and phosphorus atoms: A challenge for exact-exchange density-functional and post-Hartree-Fock methods

NASA Astrophysics Data System (ADS)

Kaupp, Martin; Arbuznikov, Alexei V.; Heßelmann, Andreas; Görling, Andreas

2010-05-01

The isotropic hyperfine coupling constants of the free N(S4) and P(S4) atoms have been evaluated with high-level post-Hartree-Fock and density-functional methods. The phosphorus hyperfine coupling presents a significant challenge to both types of methods. With large basis sets, MP2 and coupled-cluster singles and doubles calculations give much too small values for the phosphorus atom. Triple excitations are needed in coupled-cluster calculations to achieve reasonable agreement with experiment. None of the standard density functionals reproduce even the correct sign of this hyperfine coupling. Similarly, the computed hyperfine couplings depend crucially on the self-consistent treatment in exact-exchange density-functional theory within the optimized effective potential (OEP) method. Well-balanced auxiliary and orbital basis sets are needed for basis-expansion exact-exchange-only OEP approaches to come close to Hartree-Fock or numerical OEP data. Results from the localized Hartree-Fock and Krieger-Li-Iafrate approximations deviate notably from exact OEP data in spite of very similar total energies. Of the functionals tested, only full exact-exchange methods augmented by a correlation functional gave at least the correct sign of the P(S4) hyperfine coupling but with too low absolute values. The subtle interplay between the spin-polarization contributions of the different core shells has been analyzed, and the influence of even very small changes in the exchange-correlation potential could be identified.

75 FR 1437 - Self-Regulatory Organizations; Chicago Board Options Exchange, Incorporated; Order Approving a...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-01-11

... ratio at the conclusion of COA, the order, or any remaining balance, will route to the CBOE's Complex... basis, to route the remaining balance of the option leg(s) of such an order to CBOE's Hybrid System for... remaining balance of the stock leg of such an order to the CBOE Stock Exchange (``CBSX''), CBOE's stock...

How is flow experienced and by whom? Testing flow among occupations.

PubMed

Llorens, Susana; Salanova, Marisa; Rodríguez, Alma M

2013-04-01

The aims of this paper are to test (1) the factorial structure of the frequency of flow experience at work; (2) the flow analysis model in work settings by differentiating the frequency of flow and the frequency of its prerequisites; and (3) whether there are significant differences in the frequency of flow experience depending on the occupation. A retrospective study among 957 employees (474 tile workers and 483 secondary school teachers) using multigroup confirmatory factorial analyses and multiple analyses of variance suggested that on the basis of the flow analysis model in work settings, (1) the frequency of flow experience has a two-factor structure (enjoyment and absorption); (2) the frequency of flow experience at work is produced when both challenge and skills are high and balanced; and (3) secondary school teachers experience flow more frequently than tile workers. Copyright © 2012 John Wiley & Sons, Ltd.

Mobile, Virtual Enhancements for Rehabilitation (MOVER)

DTIC Science & Technology

2015-08-28

The patient uses COTS input devices, such as the Microsoft Kinect and the Wii Balance Board , to perform therapeutic exercises that are mapped to...motion and balance disorder patients. We made these games highly customizable to enable therapists to tune each game to the capabilities of individual...settings. Figure 5 shows the setting for the target graphic styles. Figure 6 shows the setting for which foot the patient must balance on during the

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.

Assessment of the Uniqueness of Wind Tunnel Strain-Gage Balance Load Predictions

NASA Technical Reports Server (NTRS)

Ulbrich, N.

2016-01-01

A new test was developed to assess the uniqueness of wind tunnel strain-gage balance load predictions that are obtained from regression models of calibration data. The test helps balance users to gain confidence in load predictions of non-traditional balance designs. It also makes it possible to better evaluate load predictions of traditional balances that are not used as originally intended. The test works for both the Iterative and Non-Iterative Methods that are used in the aerospace testing community for the prediction of balance loads. It is based on the hypothesis that the total number of independently applied balance load components must always match the total number of independently measured bridge outputs or bridge output combinations. This hypothesis is supported by a control volume analysis of the inputs and outputs of a strain-gage balance. It is concluded from the control volume analysis that the loads and bridge outputs of a balance calibration data set must separately be tested for linear independence because it cannot always be guaranteed that a linearly independent load component set will result in linearly independent bridge output measurements. Simple linear math models for the loads and bridge outputs in combination with the variance inflation factor are used to test for linear independence. A highly unique and reversible mapping between the applied load component set and the measured bridge output set is guaranteed to exist if the maximum variance inflation factor of both sets is less than the literature recommended threshold of five. Data from the calibration of a six{component force balance is used to illustrate the application of the new test to real-world data.

Medicare program; limit on the valuation of a depreciable asset recognized as an allowance for depreciation and interest on capital indebtedness after a change of ownership--HCFA. Final rule with comment period.

PubMed

1998-01-09

This final rule with comment period revises the Medicare provider reimbursement regulations relative to allowable costs and sets a limit on the valuation of a depreciable asset that may be recognized in establishing an appropriate allowance for depreciation and for interest on capital indebtedness after a change of ownership that occurs on or after December 1, 1997. These provisions apply to providers that are reimbursed on the basis of reasonable costs. This change implements the mandate in section 4404 of the Balanced Budget Act of 1997 (Pub. L. 105-33).

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.

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

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

Metabolic vs. hedonic obesity: a conceptual distinction and its clinical implications

PubMed Central

Zhang, Y.; Mechanick, J. I.; Korner, J.; Peterli, R.

2015-01-01

Summary Body weight is determined via both metabolic and hedonic mechanisms. Metabolic regulation of body weight centres around the ‘body weight set point’, which is programmed by energy balance circuitry in the hypothalamus and other specific brain regions. The metabolic body weight set point has a genetic basis, but exposure to an obesogenic environment may elicit allostatic responses and upward drift of the set point, leading to a higher maintained body weight. However, an elevated steady‐state body weight may also be achieved without an alteration of the metabolic set point, via sustained hedonic over‐eating, which is governed by the reward system of the brain and can override homeostatic metabolic signals. While hedonic signals are potent influences in determining food intake, metabolic regulation involves the active control of both food intake and energy expenditure. When overweight is due to elevation of the metabolic set point (‘metabolic obesity’), energy expenditure theoretically falls onto the standard energy–mass regression line. In contrast, when a steady‐state weight is above the metabolic set point due to hedonic over‐eating (‘hedonic obesity’), a persistent compensatory increase in energy expenditure per unit metabolic mass may be demonstrable. Recognition of the two types of obesity may lead to more effective treatment and prevention of obesity. PMID:25588316

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.

Understanding Disorder Within Variation: Production of English Grammatical Forms by English Language Learners.

PubMed

Bedore, Lisa M; Peña, Elizabeth D; Anaya, Jissel B; Nieto, Ricardo; Lugo-Neris, Mirza J; Baron, Alisa

2018-04-05

This study examines English performance on a set of 11 grammatical forms in Spanish-English bilingual, school-age children in order to understand how item difficulty of grammatical constructions helps correctly classify language impairment (LI) from expected variability in second language acquisition when taking into account linguistic experience and exposure. Three hundred seventy-eight children's scores on the Bilingual English-Spanish Assessment-Middle Extension (Peña, Bedore, Gutiérrez-Clellen, Iglesias, & Goldstein, 2008) morphosyntax cloze task were analyzed by bilingual experience groups (high Spanish experience, balanced English-Spanish experience, high English experience, ability (typically developing [TD] vs. LI), and grammatical form. Classification accuracy was calculated for the forms that best differentiated TD and LI groups. Children with LI scored lower than TD children across all bilingual experience groups. There were differences by grammatical form across bilingual experience and ability groups. Children from high English experience and balanced English-Spanish experience groups could be accurately classified on the basis of all the English grammatical forms tested except for prepositions. For bilinguals with high Spanish experience, it was possible to rule out LI on the basis of grammatical production but not rule in LI. It is possible to accurately identify LI in English language learners once they use English 40% of the time or more. However, for children with high Spanish experience, more information about development and patterns of impairment is needed to positively identify LI.

Deriving hourly evapotranspiration (ET) rates with SEBS: A lysimetric evaluation

USDA-ARS?s Scientific Manuscript database

Numerous energy balance (EB) algorithms have been developed to use remote sensing data for mapping evapotranspiration (ET) on a regional basis. Adopting any single or combination of these models for an operational ET remote sensing program requires a thorough evaluation. The Surface Energy Balance S...

Across-phase biomass pyrolysis stoichiometry, energy balance, and product formation kinetics

USDA-ARS?s Scientific Manuscript database

Predictive correlations between reactions occurring in the gas-, liquid- and solid-phases are necessary to economically utilize the thermochemical conversion of agricultural wastes impacting the food, water, and energy nexus. On the basis of an empirical mass balance (99.7%), this study established...

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

QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations.

PubMed

Toropov, Andrey A; Toropova, Alla P; Raska, Ivan; Benfenati, Emilio

2010-04-01

Three different splits into the subtraining set (n = 22), the set of calibration (n = 21), and the test set (n = 12) of 55 antineoplastic agents have been examined. By the correlation balance of SMILES-based optimal descriptors quite satisfactory models for the octanol/water partition coefficient have been obtained on all three splits. The correlation balance is the optimization of a one-variable model with a target function that provides both the maximal values of the correlation coefficient for the subtraining and calibration set and the minimum of the difference between the above-mentioned correlation coefficients. Thus, the calibration set is a preliminary test set. Copyright (c) 2009 Elsevier Masson SAS. All rights reserved.

The construction of general basis functions in reweighting ensemble dynamics simulations: Reproduce equilibrium distribution in complex systems from multiple short simulation trajectories

NASA Astrophysics Data System (ADS)

Zhang, Chuan-Biao; Ming, Li; Xin, Zhou

2015-12-01

Ensemble simulations, which use multiple short independent trajectories from dispersive initial conformations, rather than a single long trajectory as used in traditional simulations, are expected to sample complex systems such as biomolecules much more efficiently. The re-weighted ensemble dynamics (RED) is designed to combine these short trajectories to reconstruct the global equilibrium distribution. In the RED, a number of conformational functions, named as basis functions, are applied to relate these trajectories to each other, then a detailed-balance-based linear equation is built, whose solution provides the weights of these trajectories in equilibrium distribution. Thus, the sufficient and efficient selection of basis functions is critical to the practical application of RED. Here, we review and present a few possible ways to generally construct basis functions for applying the RED in complex molecular systems. Especially, for systems with less priori knowledge, we could generally use the root mean squared deviation (RMSD) among conformations to split the whole conformational space into a set of cells, then use the RMSD-based-cell functions as basis functions. We demonstrate the application of the RED in typical systems, including a two-dimensional toy model, the lattice Potts model, and a short peptide system. The results indicate that the RED with the constructions of basis functions not only more efficiently sample the complex systems, but also provide a general way to understand the metastable structure of conformational space. Project supported by the National Natural Science Foundation of China (Grant No. 11175250).

RESEARCH: Influence of Social, Biophysical, and Managerial Conditions on Tourism Experiences Within the Great Barrier Reef World Heritage Area.

PubMed

Shafer; Inglis

2000-07-01

/ Managing protected areas involves balancing the enjoyment of visitors with the protection of a variety of cultural and biophysical resources. Tourism pressures in the Great Barrier Reef World Heritage Area (GBRWHA) are creating concerns about how to strike this balance in a marine environment. Terrestrial-based research has led to conceptual planning and management frameworks that address issues of human use and resource protection. The limits of acceptable change (LAC) framework was used as a conceptual basis for a study of snorkeling at reef sites in the GBRWHA. The intent was to determine if different settings existed among tourism operators traveling to the reef and, if so, to identify specific conditions relating to those settings. Snorkelers (N = 1475) traveling with tourism operations of different sizes who traveled to different sites completed surveys. Results indicated that snorkelers who traveled with larger operations (more people and infrastructure) differed from those traveling with smaller operations (few people and little on-site infrastructure) on benefits received and in the way that specific conditions influenced their enjoyment. Benefits related to nature, escape, and family helped to define reef experiences. Conditions related to coral, fish, and operator staff had a positive influence on the enjoyment of most visitors but, number of people on the trip and site infrastructure may have the greatest potential as setting indicators. Data support the potential usefulness of visitor input in applying the LAC concept to a marine environment where tourism and recreational uses are rapidly changing.

Optimizing Balanced Incomplete Block Designs for Educational Assessments

ERIC Educational Resources Information Center

van der Linden, Wim J.; Veldkamp, Bernard P.; Carlson, James E.

2004-01-01

A popular design in large-scale educational assessments as well as any other type of survey is the balanced incomplete block design. The design is based on an item pool split into a set of blocks of items that are assigned to sets of "assessment booklets." This article shows how the problem of calculating an optimal balanced incomplete block…

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.

Effects of zonal flows on correlation between energy balance and energy conservation associated with nonlinear nonviscous atmospheric dynamics in a thin rotating spherical shell

NASA Astrophysics Data System (ADS)

Ibragimov, Ranis N.

2018-03-01

The nonlinear Euler equations are used to model two-dimensional atmosphere dynamics in a thin rotating spherical shell. The energy balance is deduced on the basis of two classes of functorially independent invariant solutions associated with the model. It it shown that the energy balance is exactly the conservation law for one class of the solutions whereas the second class of invariant solutions provides and asymptotic convergence of the energy balance to the conservation law.

Balancing fast-rotating parts of hand-held machine drive

NASA Astrophysics Data System (ADS)

Korotkov, V. S.; Sicora, E. A.; Nadeina, L. V.; Yongzheng, Wang

2018-03-01

The article considers the issues related to the balancing of fast rotating parts of the hand-held machine drive including a wave transmission with intermediate rolling elements, which is constructed on the basis of the single-phase collector motor with a useful power of 1 kW and a nominal rotation frequency of 15000 rpm. The forms of balancers and their location are chosen. The method of balancing is described. The scheme for determining of residual unbalance in two correction planes is presented. Measurement results are given in tables.

Tallying the U.S.-China Military Scorecard: Relative Capabilities and the Balance of Power, 1996-2017

DTIC Science & Technology

2015-01-01

C O R P O R A T I O N RESE ARCH BR IEF Tallying the U.S.-China Military Scorecard Relative Capabilities and the Balance of Power, 1996–2017 Over the...sources, the scorecards provide a basis for deeper public discussion of how the balance of power in Asia has evolved and the challenges the United...SUBTITLE Tallying the U.S.-China Military Scorecard : Relative Capabilities and the Balance of Power, 1996-2017 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c

The physical basis of glacier volume-area scaling

USGS Publications Warehouse

Bahr, D.B.; Meier, M.F.; Peckham, S.D.

1997-01-01

Ice volumes are known for only a few of the roughly 160,000 glaciers worldwide but are important components of many climate and sea level studies which require water flux estimates. A scaling analysis of the mass and momentum conservation equations shows that glacier volumes can be related by a power law to more easily observed glacier surface areas. The relationship requires four closure choices for the scaling behavior of glacier widths, slopes, side drag and mass balance. Reasonable closures predict a volume-area scaling exponent which is consistent with observations, giving a physical and practical basis for estimating ice volumes. Glacier volume is insensitive to perturbations in the mass balance scaling, but changes in average accumulation area ratios reflect significant changes in the scaling of both mass balance and ice volume. Copyright 1997 by the American Geophysical Union.

Water and energy balances in the soil-plant atmosphere continuum

USDA-ARS?s Scientific Manuscript database

Energy fluxes at soil-atmosphere and plant-atmosphere interfaces can be summed to zero because the surfaces have no capacity for energy storage. The resulting energy balance equations may be written in terms of physical descriptions of these fluxes; and have been the basis for problem casting and so...

Exhaust All Measures: Ethical Issues in Pediatric End-of-Life Care.

PubMed

Thieleman, Kara J; Wallace, Cara; Cimino, Andrea N; Rueda, Heidi A

2016-01-01

The death of a child may have a profound impact on parents, family members, and health care providers who provided care for the child. Unique challenges are faced by parents of seriously ill children as they must serve as the legal authority for health care decisions of children under age 18, although the child's wishes must also be considered. Social workers must balance core social work values, bioethical values, and psychosocial issues presented by such situations. While studies have been conducted with physicians and nurses regarding ethical issues in pediatric end-of-life care settings, little is known about how social workers experience these conflicts. This article utilizes two vignettes to illustrate potential ethical issues in this setting and applies the National Association of Social Workers Standards for Palliative and End of Life Care (NASW, 2004 ) to explore options for their resolution. These vignettes provide descriptions of possible reactions in this setting and can be used as a basis for further exploration of ethics in pediatric end-of-life care from a social work perspective.

Innovations in compact stellarator coil design

NASA Astrophysics Data System (ADS)

Pomphrey, N.; Berry, L.; Boozer, A.; Brooks, A.; Hatcher, R. E.; Hirshman, S. P.; Ku, L.-P.; Miner, W. H.; Mynick, H. E.; Reiersen, W.; Strickler, D. J.; Valanju, P. M.

2001-03-01

Experimental devices for the study of the physics of high beta (β gtrsim 4%), low aspect ratio (A lesssim 4.5) stellarator plasmas require coils that will produce plasmas satisfying a set of physics goals, provide experimental flexibility and be practical to construct. In the course of designing a flexible coil set for the National Compact Stellarator Experiment, several innovations have been made that may be useful in future stellarator design efforts. These include: the use of singular value decomposition methods for obtaining families of smooth current potentials on distant coil winding surfaces from which low current density solutions may be identified; the use of a control matrix method for identifying which few of the many detailed elements of a stellarator boundary must be targeted if a coil set is to provide fields to control the essential physics of the plasma; the use of a genetic algorithm for choosing an optimal set of discrete coils from a continuum of potential contours; the evaluation of alternate coil topologies for balancing the trade-off between physics objectives and engineering constraints; the development of a new coil optimization code for designing modular coils and the identification of a `natural' basis for describing current sheet distributions.

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.

Adapting the Wii Fit Balance Board to Enable Active Video Game Play by Wheelchair Users: User-Centered Design and Usability Evaluation

PubMed Central

Kirkland, William B; Misko, Samuel R; Padalabalanarayanan, Sangeetha; Malone, Laurie A

2018-01-01

Background Active video game (AVG) playing, also known as “exergaming,” is increasingly employed to promote physical activity across all age groups. The Wii Fit Balance Board is a popular gaming controller for AVGs and is used in a variety of settings. However, the commercial off-the-shelf (OTS) design poses several limitations. It is inaccessible to wheelchair users, does not support the use of stabilization assistive devices, and requires the ability to shift the center of balance (COB) in all directions to fully engage in game play. Objective The aim of this study was to design an adapted version of the Wii Fit Balance Board to overcome the identified limitations and to evaluate the usability of the newly designed adapted Wii Fit Balance Board in persons with mobility impairments. Methods In a previous study, 16 participants tried the OTS version of the Wii Fit Balance Board. On the basis of observed limitations, a team of engineers developed and adapted the design of the Wii Fit Balance Board, which was then subjected to multiple iterations of user feedback and design tweaks. On design completion, we recruited a new pool of participants with mobility impairments for a larger study. During their first visit, we assessed lower-extremity function using selected mobility tasks from the International Classification of Functioning, Disability and Health. During a subsequent session, participants played 2 sets of games on both the OTS and adapted versions of the Wii Fit Balance Board. Order of controller version played first was randomized. After participants played each version, we administered the System Usability Scale (SUS) to examine the participants’ perceived usability. Results The adapted version of the Wii Fit Balance Board resulting from the user-centered design approach met the needs of a variety of users. The adapted controller (1) allowed manual wheelchair users to engage in game play, which was previously not possible; (2) included Americans with Disabilities Act-compliant handrails as part of the controller, enabling stable and safe game play; and (3) included a sensitivity control feature, allowing users to fine-tune the controller to match the users’ range of COB motion. More than half the sample could not use the OTS version of the Wii Fit Balance Board, while all participants were able to use the adapted version. All participants rated the adapted Wii Fit Balance Board at a minimum as “good,” while those who could not use the OTS Wii Fit Balance Board rated the adapted Wii Fit Balance Board as “excellent.” We found a significant negative correlation between lower-extremity function and differences between OTS and adapted SUS scores, indicating that as lower-extremity function decreased, participants perceived the adapted Wii Fit Balance Board as more usable. Conclusions This study demonstrated a successful adaptation of a widely used AVG controller. The adapted controller’s potential to increase physical activity levels among people with mobility impairments will be evaluated in a subsequent trial. Trial Registration ClinicalTrials.gov NCT02994199; https://clinicaltrials.gov/ct2/show/NCT02994199 (Archived by WebCite at http://www.webcitation.org/6xWTyiJWf) PMID:29510972

Adapting the Wii Fit Balance Board to Enable Active Video Game Play by Wheelchair Users: User-Centered Design and Usability Evaluation.

PubMed

Thirumalai, Mohanraj; Kirkland, William B; Misko, Samuel R; Padalabalanarayanan, Sangeetha; Malone, Laurie A

2018-03-06

Active video game (AVG) playing, also known as "exergaming," is increasingly employed to promote physical activity across all age groups. The Wii Fit Balance Board is a popular gaming controller for AVGs and is used in a variety of settings. However, the commercial off-the-shelf (OTS) design poses several limitations. It is inaccessible to wheelchair users, does not support the use of stabilization assistive devices, and requires the ability to shift the center of balance (COB) in all directions to fully engage in game play. The aim of this study was to design an adapted version of the Wii Fit Balance Board to overcome the identified limitations and to evaluate the usability of the newly designed adapted Wii Fit Balance Board in persons with mobility impairments. In a previous study, 16 participants tried the OTS version of the Wii Fit Balance Board. On the basis of observed limitations, a team of engineers developed and adapted the design of the Wii Fit Balance Board, which was then subjected to multiple iterations of user feedback and design tweaks. On design completion, we recruited a new pool of participants with mobility impairments for a larger study. During their first visit, we assessed lower-extremity function using selected mobility tasks from the International Classification of Functioning, Disability and Health. During a subsequent session, participants played 2 sets of games on both the OTS and adapted versions of the Wii Fit Balance Board. Order of controller version played first was randomized. After participants played each version, we administered the System Usability Scale (SUS) to examine the participants' perceived usability. The adapted version of the Wii Fit Balance Board resulting from the user-centered design approach met the needs of a variety of users. The adapted controller (1) allowed manual wheelchair users to engage in game play, which was previously not possible; (2) included Americans with Disabilities Act-compliant handrails as part of the controller, enabling stable and safe game play; and (3) included a sensitivity control feature, allowing users to fine-tune the controller to match the users' range of COB motion. More than half the sample could not use the OTS version of the Wii Fit Balance Board, while all participants were able to use the adapted version. All participants rated the adapted Wii Fit Balance Board at a minimum as "good," while those who could not use the OTS Wii Fit Balance Board rated the adapted Wii Fit Balance Board as "excellent." We found a significant negative correlation between lower-extremity function and differences between OTS and adapted SUS scores, indicating that as lower-extremity function decreased, participants perceived the adapted Wii Fit Balance Board as more usable. This study demonstrated a successful adaptation of a widely used AVG controller. The adapted controller's potential to increase physical activity levels among people with mobility impairments will be evaluated in a subsequent trial. ClinicalTrials.gov NCT02994199; https://clinicaltrials.gov/ct2/show/NCT02994199 (Archived by WebCite at http://www.webcitation.org/6xWTyiJWf). ©Mohanraj Thirumalai, William B Kirkland, Samuel R Misko, Sangeetha Padalabalanarayanan, Laurie A Malone. Originally published in JMIR Rehabilitation and Assistive Technology (http://rehab.jmir.org), 06.03.2018.

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

Human Frontal Lobes and AI Planning Systems

NASA Technical Reports Server (NTRS)

Levinson, Richard; Lum, Henry Jr. (Technical Monitor)

1994-01-01

Human frontal lobes are essential for maintaining a self-regulating balance between predictive and reactive behavior. This paper describes a system that integrates prediction and reaction based on neuropsychological theories of frontal lobe function. In addition to enhancing our understanding of deliberate action in humans' the model is being used to develop and evaluate the same properties in machines. First, the paper presents some background neuropsychology in order to set a general context. The role of frontal lobes is then presented by summarizing three theories which formed the basis for this work. The components of an artificial frontal lobe are then discussed from both neuropsychological and AI perspectives. The paper concludes by discussing issues and methods for evaluating systems that integrate planning and reaction.

Parameter dimension of turbulence-induced phase errors and its effects on estimation in phase diversity

NASA Technical Reports Server (NTRS)

Thelen, Brian J.; Paxman, Richard G.

1994-01-01

The method of phase diversity has been used in the context of incoherent imaging to estimate jointly an object that is being imaged and phase aberrations induced by atmospheric turbulence. The method requires a parametric model for the phase-aberration function. Typically, the parameters are coefficients to a finite set of basis functions. Care must be taken in selecting a parameterization that properly balances accuracy in the representation of the phase-aberration function with stability in the estimates. It is well known that over parameterization can result in unstable estimates. Thus a certain amount of model mismatch is often desirable. We derive expressions that quantify the bias and variance in object and aberration estimates as a function of parameter dimension.

Development and application of a unified balancing approach with multiple constraints

NASA Technical Reports Server (NTRS)

Zorzi, E. S.; Lee, C. C.; Giordano, J. C.

1985-01-01

The development of a general analytic approach to constrained balancing that is consistent with past influence coefficient methods is described. The approach uses Lagrange multipliers to impose orbit and/or weight constraints; these constraints are combined with the least squares minimization process to provide a set of coupled equations that result in a single solution form for determining correction weights. Proper selection of constraints results in the capability to: (1) balance higher speeds without disturbing previously balanced modes, thru the use of modal trial weight sets; (2) balance off-critical speeds; and (3) balance decoupled modes by use of a single balance plane. If no constraints are imposed, this solution form reduces to the general weighted least squares influence coefficient method. A test facility used to examine the use of the general constrained balancing procedure and application of modal trial weight ratios is also described.

ITEA Financial Report--Fiscal 2003

ERIC Educational Resources Information Center

Technology Teacher, 2004

2004-01-01

The figures in this report reflect the financial year, which ended on June 30, 2003. The balance shown is the result of specifically planned activities on behalf of the Board of Directors and the headquarters staff to balance the budget. The Board monitors the financial condition of the association and foundation on an ongoing basis through its…

Design Principles for the Development of the Balanced Scorecard

ERIC Educational Resources Information Center

Keser Ozmantar, Zehra; Gedikoglu, Tokay

2016-01-01

Purpose: The purpose of this paper is to investigate the development and implementation process of the balanced scorecard (BSC) approach in an educational institution in the context of the Turkish educational system. It also aims, on the basis of the results of the applications in a particular school, to define principles through which the…

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.

Validation of a virtual reality balance module for use in clinical concussion assessment and management.

PubMed

Teel, Elizabeth F; Slobounov, Semyon M

2015-03-01

To determine the criterion and content validity of a virtual reality (VR) balance module for use in clinical practice. Retrospective, VR balance module completed by participants during concussion baseline or assessment testing session. A Pennsylvania State University research laboratory. A total of 60 control and 28 concussed students and athletes from the Pennsylvania State University. None. This study examined: (1) the relationship between VR composite balance scores (final, stationary, yaw, pitch, and roll) and area of the center-of-pressure (eyes open and closed) scores and (2) group differences (normal volunteers and concussed student-athletes) on VR composite balance scores. With the exception of the stationary composite score, all other VR balance composite scores were significantly correlated with the center of pressure data obtained from a force platform. Significant correlations ranged from r = -0.273 to -0.704 for the eyes open conditions and from r = -0.353 to -0.876 for the eyes closed condition. When examining group differences on the VR balance composite modules, the concussed group did significantly (P < 0.01) worse on all measures compared with the control group. The VR balance module met or exceeded the criterion and content validity standard set by the current balance tools and may be appropriate for use in a clinical concussion setting. Virtual reality balance module is a valid tool for concussion assessment in clinical settings. This novel type of balance assessment may be more sensitive to concussion diagnoses, especially later (7-10 days) in the recovery phase than current clinical balance tools.

Model-based metabolism design: constraints for kinetic and stoichiometric models

PubMed Central

Stalidzans, Egils; Seiman, Andrus; Peebo, Karl; Komasilovs, Vitalijs; Pentjuss, Agris

2018-01-01

The implementation of model-based designs in metabolic engineering and synthetic biology may fail. One of the reasons for this failure is that only a part of the real-world complexity is included in models. Still, some knowledge can be simplified and taken into account in the form of optimization constraints to improve the feasibility of model-based designs of metabolic pathways in organisms. Some constraints (mass balance, energy balance, and steady-state assumption) serve as a basis for many modelling approaches. There are others (total enzyme activity constraint and homeostatic constraint) proposed decades ago, but which are frequently ignored in design development. Several new approaches of cellular analysis have made possible the application of constraints like cell size, surface, and resource balance. Constraints for kinetic and stoichiometric models are grouped according to their applicability preconditions in (1) general constraints, (2) organism-level constraints, and (3) experiment-level constraints. General constraints are universal and are applicable for any system. Organism-level constraints are applicable for biological systems and usually are organism-specific, but these constraints can be applied without information about experimental conditions. To apply experimental-level constraints, peculiarities of the organism and the experimental set-up have to be taken into account to calculate the values of constraints. The limitations of applicability of particular constraints for kinetic and stoichiometric models are addressed. PMID:29472367

Assessment of the urban water system with an open ...

EPA Pesticide Factsheets

Urban water systems convey complex environmental and man-made flows. The relationships among water flows and networked storages remains difficult to comprehensively evaluate. Such evaluation is important, however, as interventions are designed (e.g, conservation measures, green infrastructure) to modify specific flows of urban water (e.g. drinking water, stormwater) that may have systemic effects. We have developed a general model that specifies the relationships among urban water system components, and a set of tools for evaluating the model for any city as the R package CityWaterBalance. CityWaterBalance provides a reproducible workflow for assessing urban water system(s) by facilitating the retrieval of open data, largely via web services, and analysis of these data using open-source R functions. It allows the user to 1) quickly assemble a quantitative, unified picture of flows thorough an urban area, and 2) easily change the spatial and temporal boundaries of analysis to match scales relevant to local decision-making. We used CityWaterBalance to evaluate the water system in the Chicago metropolitan area on a monthly basis for water years 2001-2010. Results, including the relative magnitudes and temporal variability of major water flows in greater Chicago, are used to consider 1) trade-offs associated with management alternatives for stormwater and combined sewer overflows and 2) the significance of future changes in precipitation, which is the largest

Complexes and saddle point structures, vibrational frequencies and relative energies of intermediates for CH2Br + HBr «-» CH3Br + Br

NASA Astrophysics Data System (ADS)

Espinosa-Garcia, J.

Ab initio molecular orbital theory was used to study parts of the reaction between the CH2Br radical and the HBr molecule, and two possibilities were analysed: attack on the hydrogen and attack on the bromine of the HBr molecule. Optimized geometries and harmonic vibrational frequencies were calculated at the second-order Moller-Plesset perturbation theory levels, and comparison with available experimental data was favourable. Then single-point calculations were performed at several higher levels of calculation. In the attack on the hydrogen of HBr, two stationary points were located on the direct hydrogen abstraction reaction path: a very weak hydrogen bonded complex of reactants, C···HBr, close to the reactants, followed by the saddle point (SP). The effects of level of calculation (method + basis set), spin projection, zeropoint energy, thermal corrections (298K), spin-orbit coupling and basis set superposition error (BSSE) on the energy changes were analysed. Taking the reaction enthalpy (298K) as reference, agreement with experiment was obtained only when high correlation energy and large basis sets were used. It was concluded that at room temperature (i.e., with zero-point energy and thermal corrections), when the BSSE was included, the complex disappears and the activation enthalpy (298K) ranges from 0.8kcal mol-1 to 1.4kcal mol-1 above the reactants, depending on the level of calculation. It was concluded also that this result is the balance of a complicated interplay of many factors, which are affected by uncertainties in the theoretical calculations. Finally, another possible complex (X complex), which involves the alkyl radical being attracted to the halogen end of HBr (C···BrH), was explored also. It was concluded that this X complex does not exist at room temperature.

A Survey and Analysis of Aircraft Maintenance Metrics: A Balanced Scorecard Approach

DTIC Science & Technology

2014-03-27

Metrics Set Theory /Framework .................................................................................... 16 Balanced Scorecard overview...a useful form Figure 1: Metric Evaluation Criteria (Caplice & Sheffi, 1994, p. 14) Metrics Set Theory /Framework The researcher included an...examination of established theory and frameworks on how metrics sets are constructed in the literature review. The purpose of this examination was to

Comparative safety assessment of plant-derived foods.

PubMed

Kok, E J; Keijer, J; Kleter, G A; Kuiper, H A

2008-02-01

The second generation of genetically modified (GM) plants that are moving towards the market are characterized by modifications that may be more complex and traits that more often are to the benefit of the consumer. These developments will have implications for the safety assessment of the resulting plant products. In part of the cases the same crop plant can, however, also be obtained by 'conventional' breeding strategies. The breeder will decide on a case-by-case basis what will be the best strategy to reach the set target and whether genetic modification will form part of this strategy. This article discusses important aspects of the safety assessment of complex products derived from newly bred plant varieties obtained by different breeding strategies. On the basis of this overview, we conclude that the current process of the safety evaluation of GM versus conventionally bred plants is not well balanced. GM varieties are elaborately assessed, yet at the same time other crop plants resulting from conventional breeding strategies may warrant further food safety assessment for the benefit of the consumer. We propose to develop a general screening frame for all newly developed plant varieties to select varieties that cannot, on the basis of scientific criteria, be considered as safe as plant varieties that are already on the market.

Prognostic score–based balance measures for propensity score methods in comparative effectiveness research

PubMed Central

Stuart, Elizabeth A.; Lee, Brian K.; Leacy, Finbarr P.

2013-01-01

Objective Examining covariate balance is the prescribed method for determining when propensity score methods are successful at reducing bias. This study assessed the performance of various balance measures, including a proposed balance measure based on the prognostic score (also known as the disease-risk score), to determine which balance measures best correlate with bias in the treatment effect estimate. Study Design and Setting The correlations of multiple common balance measures with bias in the treatment effect estimate produced by weighting by the odds, subclassification on the propensity score, and full matching on the propensity score were calculated. Simulated data were used, based on realistic data settings. Settings included both continuous and binary covariates and continuous covariates only. Results The standardized mean difference in prognostic scores, the mean standardized mean difference, and the mean t-statistic all had high correlations with bias in the effect estimate. Overall, prognostic scores displayed the highest correlations of all the balance measures considered. Prognostic score measure performance was generally not affected by model misspecification and performed well under a variety of scenarios. Conclusion Researchers should consider using prognostic score–based balance measures for assessing the performance of propensity score methods for reducing bias in non-experimental studies. PMID:23849158

Validation of a Virtual Reality Balance Module for Use in Clinical Concussion Assessment and Management

PubMed Central

Teel, Elizabeth F.; Slobounov, Semyon M.

2014-01-01

Objective To determine the criterion and content validity of a virtual reality (VR) balance module for use in clinical practice. Design Retrospective, VR balance module completed by participants during concussion baseline or assessment testing session. Setting A Pennsylvania State University research laboratory Participants A total of 60 control and 28 concussed students and athletes from the Pennsylvania State University Interventions None Main Outcome Measures This study examined: (1) the relationship between VR composite balance scores (final, stationary, yaw, pitch, and roll) and area of the center-of-pressure (eyes open and closed) scores and (2) group differences (normal volunteers and concussed student-athletes) on VR composite balance scores. Results With the exception of the stationary composite score, all other VR balance composite scores were significantly correlated with the center of pressure (COP) data obtained from a force platform. Significant correlations for the eyes open conditions ranged from r= −.273 to −.704 and from r= −.353 to −.876 for the eyes closed condition. When examining group differences on the VR balance composite modules, the concussed group did significantly (p<.01) worse on all measures compared to the control group. Conclusions The VR balance module met or exceeded the criterion and content validity standard set by current balance tools and may be appropriate for use in a clinical concussion setting. PMID:24905539

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.

Benchmark CCSD(T) and DFT study of binding energies in Be7 - 12: in search of reliable DFT functional for beryllium clusters

NASA Astrophysics Data System (ADS)

Labanc, Daniel; Šulka, Martin; Pitoňák, Michal; Černušák, Ivan; Urban, Miroslav; Neogrády, Pavel

2018-05-01

We present a computational study of the stability of small homonuclear beryllium clusters Be7 - 12 in singlet electronic states. Our predictions are based on highly correlated CCSD(T) coupled cluster calculations. Basis set convergence towards the complete basis set limit as well as the role of the 1s core electron correlation are carefully examined. Our CCSD(T) data for binding energies of Be7 - 12 clusters serve as a benchmark for performance assessment of several density functional theory (DFT) methods frequently used in beryllium cluster chemistry. We observe that, from Be10 clusters on, the deviation from CCSD(T) benchmarks is stable with respect to size, and fluctuating within 0.02 eV error bar for most examined functionals. This opens up the possibility of scaling the DFT binding energies for large Be clusters using CCSD(T) benchmark values for smaller clusters. We also tried to find analogies between the performance of DFT functionals for Be clusters and for the valence-isoelectronic Mg clusters investigated recently in Truhlar's group. We conclude that it is difficult to find DFT functionals that perform reasonably well for both beryllium and magnesium clusters. Out of 12 functionals examined, only the M06-2X functional gives reasonably accurate and balanced binding energies for both Be and Mg clusters.

The power of social judgement: struggle and negotiation in the nursing process.

PubMed

Johnson, M; Webb, C

1995-04-01

In this paper we discuss an alternative view of the nursing process as it is experienced by both patients and nurses. The current conception of the nursing process is that it is a benevolent activity which aims to render care more individualized or person-centred. Its rhetoric usually includes notions of mutuality in goal setting, openness and collaboration between patients and nurses. We will suggest that such a view is idealized and has little basis in empirical reality as it is experienced by both nurses and patients. Rather, nurse-patient relations are beset by conflict and struggle, frequently resulting in the acquiescence of patients to the nursing and the medical goals of care. On the basis of an ethnography of a hospital medical ward, we will describe a process of social judgement and set it into a discussion of the social context where an unequal balance of power is integral to provider-recipient relations. Our account will focus upon four categories through which judgemental labelling may be analysed. These are assessing, negotiation, struggling and acquiescing. Of special interest to us are strategies which nurses used to maintain excellent care in the context of negative social judgements, and the place social judgement may play in moral decision-making. We emphasize the strengths which rich qualitative data have in relation to previous survey approaches of this phenomenon, whilst recognising the limitations of so focused a study.

Athletic trainer perceptions of life-work balance and parenting concerns.

PubMed

Eberman, Lindsey E; Kahanov, Leamor

2013-01-01

Life-work balance may be one reason for retention concerns among athletic trainers (ATs), yet evidence does not exist to support the supposition. To assess the perceptions of ATs regarding life-work balance, specifically on parenting issues. Survey. Online survey at www.surveymonkey.com . A random sample of National Athletic Trainers' Association members (N = 9516) received the survey; 20.6% (n = 1962; male = 954, female = 816; age = 37 ± 10 years, experience = 13 ± 9 years) completed any portion of the survey. Most respondents worked in the college/university (34.5%, n = 657 of 1908) and secondary school settings (25.9%, n = 476 of 1908). A majority of participants (50.7%, n = 898 of 1770) were parents. We calculated frequencies and percentages and used Mann-Whitney U tests and Kruskal-Wallis tests to identify the differences between sexes and among job settings on life-work balance measures among parents. The questionnaire included 8 life-work balance items, 7 parenting challenge items, and 3 nonparent items. The results indicate that sex and setting significantly affected perceptions about parenting. Males articulated a stronger sense of difficulty in finding balance as a working parent (P < .001; 1.95 ± 1.98). Females felt more strongly than males that managing work and family was stressful (P = .04; 3.86 ± 1.13) and caused burnout (P = .004; 3.50 ± 1.24), and that their energy tended to fall short of their needs (P < .001; 3.74 ± 1.15). The decision not to have children was strongly affected by the work setting (P = .014; 3.37 ± 1.42). Both college/university (4.14 ± 0.85) and secondary school (4.03 ± 0.90) ATs would prefer to spend more time at home, as compared with ATs in other settings (P < .001). College/university ATs (P = .025; 3.17 ± 1.23) felt most strongly that their families were neglected because of work. In none of the settings did ATs feel that their employment settings were particularly tolerant of their parenting responsibilities (P = .027; 1.72 ± 1.97). Male and female employees had similar perceptions of life-work balance, but occupational setting may affect these perceptions.

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.

An Acupuncture Research Protocol Developed from Historical Writings by Mathematical Reflections: A Rational Individualized Acupoint Selection Method for Immediate Pain Relief

PubMed Central

Schroeder, Sven; Meyer-Hamme, Gesa; Zhang, Jianwei; Epplée, Susanne; Friedemann, Thomas; Hu, Weiguo

2013-01-01

While balancing yin and yang is one basic principle of Chinese medicine, balancing methods for combination of meridians and acupoints had been described throughout the history of Chinese medicine. We have identified six historical systems for combinations of acupuncture points in historical writings. All of them represent symmetrical combinations which are defined by the steps in the Chinese Clock. Taking the historical systems as a basis, we calculated the possible combinations that fit into these systems they revealed, leading to a total of 19 systems offering new balancing combinations. Merging the data of these 19 systems, there are 7 combinatorial options for every meridian. On the basis of this data, we calculated 4-meridian combinations with an ideal balance pattern, which is given when all meridians balance each other. We identified 5 of these patterns for every meridian, so we end up with 60 patterns for all the 12 meridians but we find multiple overlapping. Finally, 15 distinct patterns remain. By combining this theoretical concept with the Image and Mirror Concept, we developed an acupuncture research protocol. This protocol potentially solves some problems of acupuncture trials because it represents a rational reproducible procedure independent of examiner experience, but the resulting treatment is individualized. PMID:23431334

Methodology, status and plans for development and assessment of the code ATHLET

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

Teschendorff, V.; Austregesilo, H.; Lerchl, G.

1997-07-01

The thermal-hydraulic computer code ATHLET (Analysis of THermal-hydraulics of LEaks and Transients) is being developed by the Gesellschaft fuer Anlagen- und Reaktorsicherheit (GRS) for the analysis of anticipated and abnormal plant transients, small and intermediate leaks as well as large breaks in light water reactors. The aim of the code development is to cover the whole spectrum of design basis and beyond design basis accidents (without core degradation) for PWRs and BWRs with only one code. The main code features are: advanced thermal-hydraulics; modular code architecture; separation between physical models and numerical methods; pre- and post-processing tools; portability. The codemore » has features that are of special interest for applications to small leaks and transients with accident management, e.g. initialization by a steady-state calculation, full-range drift-flux model, dynamic mixture level tracking. The General Control Simulation Module of ATHLET is a flexible tool for the simulation of the balance-of-plant and control systems including the various operator actions in the course of accident sequences with AM measures. The code development is accompained by a systematic and comprehensive validation program. A large number of integral experiments and separate effect tests, including the major International Standard Problems, have been calculated by GRS and by independent organizations. The ATHLET validation matrix is a well balanced set of integral and separate effects tests derived from the CSNI proposal emphasizing, however, the German combined ECC injection system which was investigated in the UPTF, PKL and LOBI test facilities.« less

12 CFR 615.5211 - Risk categories-balance sheet assets.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 12 Banks and Banking 6 2011-01-01 2011-01-01 false Risk categories-balance sheet assets. 615.5211...—balance sheet assets. Section 615.5210(c) specifies certain balance sheet assets that are not assigned to the risk categories set forth below. All other balance sheet assets are assigned to the percentage...

12 CFR 615.5211 - Risk categories-balance sheet assets.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 12 Banks and Banking 6 2010-01-01 2010-01-01 false Risk categories-balance sheet assets. 615.5211...—balance sheet assets. Section 615.5210(c) specifies certain balance sheet assets that are not assigned to the risk categories set forth below. All other balance sheet assets are assigned to the percentage...

[The application of the theory of narcissism in criminal proceedings (forensic theory of narcissism)].

PubMed

Gabbert, Thomas G

2009-01-01

The concept of narcissism was introduced by Freud's psychoanalysis and is founded on a solid biological basis today, namely the so-called happiness hormones (endorphins, serotonin etc.), which generate happiness, joy and other positive feelings in the human being. By setting rules as to which actions are socially accepted and appreciated and thus associated with a positive feedback, society is able to promote the desirable behaviour and effectively control the integration of the individual into society. Happiness can be sought either in professional or in private life. Negative experiences in one of these fields can be compensated by positive experiences in the other. By means of a case, in which bottled-up narcissistic rage led to a state of severely impaired consciousness, the applicability of the forensic theory of narcissism in criminal law is illustrated and discussed. Depressive disorders, posttraumatic stress disorders, personality changes after extremely stressful situations and non-substance addictions such as computer addiction can be better understood on the basis of Kohut's model of the narcissistic balance of satisfaction.

Moving Forward in Fall Prevention: An Intervention to Improve Balance Among Older Adults in Real-World Settings

PubMed Central

Robitaille, Yvonne; Laforest, Sophie; Fournier, Michel; Gauvin, Lise; Parisien, Manon; Corriveau, Hélène; Trickey, Francine; Damestoy, Nicole

2005-01-01

Objectives. We investigated the effectiveness of a group-based exercise intervention to improve balancing ability among older adults delivered in natural settings by staff in local community organizations. Methods. The main component of the intervention consisted of biweekly group-based exercise sessions conducted over 12 weeks by a professional, coupled with home-based exercises. In a quasiexperimental design, 10 community organizations working with older adults offered the intervention to groups of 5 to 15 persons concerned about falls, while 7 organizations recruited similar groups to participate in the control arm of the study. Participants (98 experimental and 102 control) underwent balance assessments by a physiotherapist at registration and 3 months later. Results. Eighty-nine percent of participants attended the 3-month measurement session (n=177). A linear regression analysis showed that after adjusting for baseline levels of balance and demographic and health characteristics, the intervention significantly improved static balance and mobility. Conclusion. Structured, group-based exercise programs offered by community organizations in natural settings can successfully increase balancing ability among community-dwelling older adults concerned about falls. PMID:16195514

Load Balancing at Emergency Departments using ‘Crowdinforming’

PubMed Central

Friesen, Marcia R; Strome, Trevor; Mukhi, Shamir; McLoed, Robert

2011-01-01

Background: Emergency Department (ED) overcrowding is an important healthcare issue facing increasing public and regulatory scrutiny in Canada and around the world. Many approaches to alleviate excessive waiting times and lengths of stay have been studied. In theory, optimal ED patient flow may be assisted via balancing patient loads between EDs (in essence spreading patients more evenly throughout this system). This investigation utilizes simulation to explore “Crowdinforming” as a basis for a process control strategy aimed to balance patient loads between six EDs within a mid-sized Canadian city. Methods: Anonymous patient visit data comprising 120,000 ED patient visits over six months to six ED facilities were obtained from the region’s Emergency Department Information System (EDIS) to (1) determine trends in ED visits and interactions between parameters; (2) to develop a process control strategy integrating crowdinforming; and, (3) apply and evaluate the model in a simulated environment to explore the potential impact on patient self-redirection and load balancing between EDs. Results: As in reality, the data available and subsequent model demonstrated that there are many factors that impact ED patient flow. Initial results suggest that for this particular data set used, ED arrival rates were the most useful metric for ED ‘busyness’ in a process control strategy, and that Emergency Department performance may benefit from load balancing efforts. Conclusions: The simulation supports the use of crowdinforming as a potential tool when used in a process control strategy to balance the patient loads between EDs. The work also revealed that the value of several parameters intuitively expected to be meaningful metrics of ED ‘busyness’ was not evident, highlighting the importance of finding parameters meaningful within one’s particular data set. The information provided in the crowdinforming model is already available in a local context at some ED sites. The extension to a wider dissemination of information via an Internet web service accessible by smart phones is readily achievable and not a technological obstacle. Similarly, the system could be extended to help direct patients by including future estimates or predictions in the crowdinformed data. The contribution of the simulation is to allow for effective policy evaluation to better inform the public of ED ‘busyness’ as part of their decision making process in attending an emergency department. In effect, this is a means of providing additional decision support insights garnered from a simulation, prior to a real world implementation. PMID:23569610

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

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.

Weak periodic solutions of xẍ + 1 = 0 and the Harmonic Balance Method

NASA Astrophysics Data System (ADS)

García-Saldaña, J. D.; Gasull, A.

2017-02-01

We prove that the differential equation xẍ + 1 = 0 has continuous weak periodic solutions and compute their periods. Then, we use the Harmonic Balance Method until order six to approximate these periods and to illustrate how the accuracy of the method increases with the order. Our computations rely on the Gröbner basis approach.

Whose Freedom and Equity in Public Relations? The Gender Balance Argument.

ERIC Educational Resources Information Center

Toth, Elizabeth Lance

Unequal treatment, unequal value and unequal power are three aspects of the gender balance argument in public relations. The few models describing how public relations is practiced do not distinguish the component parts on the basis of gender. Such models do not consider the men and women in the intra-institutional processes as processors of…

Effect of ankle proprioceptive exercise on static and dynamic balance in normal adults.

PubMed

Yong, Min-Sik; Lee, Yun-Seob

2017-02-01

[Purpose] The present study was conducted to investigate whether ankle proprioceptive exercise affects static and dynamic balance in normal adults. [Subjects and Methods] Twenty-eight normal adults were recruited to measure their static and dynamic balancing before and after the proprioceptive exercise. A subject stood with bare feet on the round supporting platform of the device for measuring balance, and the investigator entered the age and the height of the subjects and set his/her feet on the central point of the monitor screen. Training of ankle proprioceptive sense for the movements of plantar-flexion and dorsiflexion was performed. In the training of joint position sense in plantar-flexion and dorsiflexion, the plantar-flexion and the dorsiflexion were set as 15°, respectively. [Results] The static balancing did not show significant differences in average, while the dynamic balancing showed significant differences. [Conclusion] Ankle proprioceptive exercise can affect dynamic balance.

Athletic Trainer Perceptions of Life-Work Balance and Parenting Concerns

PubMed Central

Eberman, Lindsey E.; Kahanov, Leamor

2013-01-01

Context: Life-work balance may be one reason for retention concerns among athletic trainers (ATs), yet evidence does not exist to support the supposition. Objective: To assess the perceptions of ATs regarding life-work balance, specifically on parenting issues. Design: Survey. Setting: Online survey at www.surveymonkey.com. Patients or Other Participants: A random sample of National Athletic Trainers' Association members (N = 9516) received the survey; 20.6% (n = 1962; male = 954, female = 816; age = 37 ± 10 years, experience = 13 ± 9 years) completed any portion of the survey. Most respondents worked in the college/university (34.5%, n = 657 of 1908) and secondary school settings (25.9%, n = 476 of 1908). A majority of participants (50.7%, n = 898 of 1770) were parents. Intervention(s): We calculated frequencies and percentages and used Mann-Whitney U tests and Kruskal-Wallis tests to identify the differences between sexes and among job settings on life-work balance measures among parents. Main Outcome Measures: The questionnaire included 8 life-work balance items, 7 parenting challenge items, and 3 nonparent items. Results: The results indicate that sex and setting significantly affected perceptions about parenting. Males articulated a stronger sense of difficulty in finding balance as a working parent (P < .001; 1.95 ± 1.98). Females felt more strongly than males that managing work and family was stressful (P = .04; 3.86 ± 1.13) and caused burnout (P = .004; 3.50 ± 1.24), and that their energy tended to fall short of their needs (P < .001; 3.74 ± 1.15). The decision not to have children was strongly affected by the work setting (P = .014; 3.37 ± 1.42). Both college/university (4.14 ± 0.85) and secondary school (4.03 ± 0.90) ATs would prefer to spend more time at home, as compared with ATs in other settings (P < .001). College/university ATs (P = .025; 3.17 ± 1.23) felt most strongly that their families were neglected because of work. In none of the settings did ATs feel that their employment settings were particularly tolerant of their parenting responsibilities (P = .027; 1.72 ± 1.97). Conclusions: Male and female employees had similar perceptions of life-work balance, but occupational setting may affect these perceptions. PMID:23675801

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

Working Sandwich Generation Women Utilize Strategies within and between Roles to Achieve Role Balance.

PubMed

Evans, Kiah L; Millsteed, Jeannine; Richmond, Janet E; Falkmer, Marita; Falkmer, Torbjorn; Girdler, Sonya J

2016-01-01

Increasingly, women simultaneously balance the roles of mother, parental carer and worker. However, individual role balance strategies among these working 'sandwich' generation women have not been thoroughly explored. Eighteen women combining these three roles were interviewed about their individual role balance strategies. Findings were identified through the framework analysis technique, underpinned by the Model of Juggling Occupations. Achieving and maintaining role balance was explained as a complex process accomplished through a range of strategies. Findings revealed the women used six within-role balance strategies: living with integrity, being the best you can, doing what you love, loving what you do, remembering why and searching for signs of success. The women also described six between-role balance strategies: maintaining health and wellbeing, repressing perfectionism, managing time and energy, releasing responsibility, nurturing social connection and reciprocating. These findings provide a basis for health care providers to understand and potentially support working 'sandwich' generation women.

An Evaluation of the HVAC Load Potential for Providing Load Balancing Service

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

Lu, Ning

This paper investigates the potential of providing aggregated intra-hour load balancing services using heating, ventilating, and air-conditioning (HVAC) systems. A direct-load control algorithm is presented. A temperature-priority-list method is used to dispatch the HVAC loads optimally to maintain consumer-desired indoor temperatures and load diversity. Realistic intra-hour load balancing signals were used to evaluate the operational characteristics of the HVAC load under different outdoor temperature profiles and different indoor temperature settings. The number of HVAC units needed is also investigated. Modeling results suggest that the number of HVACs needed to provide a {+-}1-MW load balancing service 24 hours a day variesmore » significantly with baseline settings, high and low temperature settings, and the outdoor temperatures. The results demonstrate that the intra-hour load balancing service provided by HVAC loads meet the performance requirements and can become a major source of revenue for load-serving entities where the smart grid infrastructure enables direct load control over the HAVC loads.« less

Thermo-solutal growth of an anisotropic dendrite with six-fold symmetry

NASA Astrophysics Data System (ADS)

Alexandrov, D. V.; Galenko, P. K.

2018-03-01

A stable growth of dendritic crystal with the six-fold crystalline anisotropy is analyzed in a binary nonisothermal mixture. A selection criterion representing a relationship between the dendrite tip velocity and its tip diameter is derived on the basis of morphological stability analysis and solvability theory. A complete set of nonlinear equations, consisting of the selection criterion and undercooling balance condition, which determines implicit dependencies of the dendrite tip velocity and tip diameter as functions of the total undercooling, is formulated. Exact analytical solutions of these nonlinear equations are found in a parametric form. Asymptotic solutions describing the crystal growth at small Péclet numbers are determined. Theoretical predictions are compared with experimental data obtained for ice dendrites growing in binary water-ethylenglycol solutions as well as in pure water.

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

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.

Some observations on the stoichiometry of feldspar hydrolysis in granitic soil

Treesearch

James L. Clayton

1988-01-01

Weathering rates of orthoclase and plagioclase were computed from mass balances of Na, K, and Ca in three forested watersheds in the Idaho batholith. On the basis of stand conditions, two watersheds were assumed to have no net gains or losses of cations in biomass, and increases in biomass were measured in the third watershed. Balanced feldspar hydrolysis reactions...

Effect of Sling Exercise Training on Balance in Patients with Stroke: A Meta-Analysis

PubMed Central

Peng, Qiyuan; Chen, Jingjie; Zou, Yucong; Liu, Gang

2016-01-01

Objective This study aims to evaluate the effect of sling exercise training (SET) on balance in patients with stroke. Methods PubMed, Cochrane Library, Ovid LWW, CBM, CNKI, WanFang, and VIP databases were searched for randomized controlled trials of the effect of SET on balance in patients with stroke. The study design and participants were subjected to metrological analysis. Berg balance Scale (BBS), Barthel index score (BI), and Fugl-Meyer Assessment (FMA) were used as independent parameters for evaluating balance function, activities of daily living(ADL) and motor function after stroke respectively, and were subjected to meta-analysis by RevMan5.3 software. Results Nine studies with 460 participants were analyzed. Results of meta-analysis showed that the SET treatment combined with conventional rehabilitation was superior to conventional rehabilitation treatments, with increased degrees of BBS (WMD = 3.81, 95% CI [0.15, 7.48], P = 0.04), BI (WMD = 12.98, 95% CI [8.39, 17.56], P < 0.00001), and FMA (SMD = 0.76, 95% CI [0.41, 1.11], P < 0.0001). Conclusion Based on limited evidence from 9 trials, the SET treatment combined with conventional rehabilitation was superior to conventional rehabilitation treatments, with increased degrees of BBS, BI and FMA, So the SET treatment can improvement of balance function after stroke, but the interpretation of our findings is required to be made with caution due to limitations in included trials such as small sample sizes and the risk of bias. Therefore, more multi-center and large-sampled randomized controlled trials are needed to confirm its clinical applications. PMID:27727288

Postural equilibrium following exposure to weightless space flight

NASA Technical Reports Server (NTRS)

Homick, J. L.; Reschke, M. F.

1977-01-01

Postural equilibrium performance by Skylab crewmen following exposure to weightlessness of 28, 59, and 84 days respectively was evaluated using a modified version of a quantitative ataxia test developed by Graybiel and Fregly (1966). Performance for this test was measured under two sets of conditions. In the first, the crewman was required to maintain postural equilibrium on narrow metal rails (or floor) with his eyes open. In the second condition, he attempted to balance with his eyes closed. A comparison of the preflight and postflight data indicated moderate postflight decrements in postural equilibrium in three of the crewmen during the eyes open test condition. In the eyes-closed condition, a considerable decrease in ability to maintain balance on the rails was observed postflight for all crewmen tested. The magnitude of the change was most pronounced during the first postflight test day. Improvement was slow; however, on the basis of data obtained, recovery of preflight baseline levels of performance was evidently complete at the end of approximately two weeks for all crewmen. The findings are explained in terms of functional alterations in the kinesthetic, touch, vestibular and neuromuscular sensory mechanisms induced by the prolonged absence of a normal 1-G gravitational environment.

Modeling Complex Equilibria in ITC Experiments: Thermodynamic Parameters Estimation for a Three Binding Site Model

PubMed Central

Le, Vu H.; Buscaglia, Robert; Chaires, Jonathan B.; Lewis, Edwin A.

2013-01-01

Isothermal Titration Calorimetry, ITC, is a powerful technique that can be used to estimate a complete set of thermodynamic parameters (e.g. Keq (or ΔG), ΔH, ΔS, and n) for a ligand binding interaction described by a thermodynamic model. Thermodynamic models are constructed by combination of equilibrium constant, mass balance, and charge balance equations for the system under study. Commercial ITC instruments are supplied with software that includes a number of simple interaction models, for example one binding site, two binding sites, sequential sites, and n-independent binding sites. More complex models for example, three or more binding sites, one site with multiple binding mechanisms, linked equilibria, or equilibria involving macromolecular conformational selection through ligand binding need to be developed on a case by case basis by the ITC user. In this paper we provide an algorithm (and a link to our MATLAB program) for the non-linear regression analysis of a multiple binding site model with up to four overlapping binding equilibria. Error analysis demonstrates that fitting ITC data for multiple parameters (e.g. up to nine parameters in the three binding site model) yields thermodynamic parameters with acceptable accuracy. PMID:23262283

One portion size of foods frequently consumed by Korean adults

PubMed Central

Choi, Mi-Kyeong; Hyun, Wha-Jin; Lee, Sim-Yeol; Park, Hong-Ju; Kim, Se-Na

2010-01-01

This study aimed to define a one portion size of food items frequently consumed for convenient use by Koreans in food selection, diet planning, and nutritional evaluation. We analyzed using the original data on 5,436 persons (60.87%) aged 20 ~ 64 years among 8,930 persons to whom NHANES 2005 and selected food items consumed by the intake frequency of 30 or higher among the 500 most frequently consumed food items. A total of 374 varieties of food items of regular use were selected. And the portion size of food items was set on the basis of the median (50th percentile) of the portion size for a single intake by a single person was analyzed. In cereals, the portion size of well polished rice was 80 g. In meats, the portion size of Korean beef cattle was 25 g. Among vegetable items, the portion size of Baechukimchi was 40 g. The portion size of the food items of regular use set in this study will be conveniently and effectively used by general consumers in selecting food items for a nutritionally balanced diet. In addition, these will be used as the basic data in setting the serving size in meal planning. PMID:20198213

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.

Balance circuit classes to improve balance among rehabilitation inpatients: a protocol for a randomised controlled trial.

PubMed

Treacy, Daniel; Schurr, Karl; Sherrington, Catherine

2013-07-20

Impaired balance and mobility are common among rehabilitation inpatients. Poor balance and mobility lead to an increased risk of falling. Specific balance exercise has been shown to improve balance and reduce falls within the community setting. However few studies have measured the effects of balance exercises on balance within the inpatient setting. A single centre, randomised controlled trial with concealed allocation, assessor blinding and intention-to-treat analysis. One hundred and sixty two patients admitted to the general rehabilitation ward at Bankstown-Lidcombe Hospital will be recruited. Eligible participants will have no medical contraindications to exercise and will be able to: fully weight bear; stand unaided independently for at least 30 seconds; and participate in group therapy sessions with minimal supervision. Participants will be randomly allocated to an intervention group or usual-care control group. Both groups will receive standard rehabilitation intervention that includes physiotherapy mobility training and exercise for at least two hours on each week day. The intervention group will also receive six 1-hour circuit classes of supervised balance exercises designed to maximise the ability to make postural adjustments in standing, stepping and walking. The primary outcome is balance. Balance will be assessed by measuring the total time the participant can stand unsupported in five different positions; feet apart, feet together, semi-tandem, tandem and single-leg-stance. Secondary outcomes include mobility, self reported physical functioning, falls and hospital readmissions. Performance on the outcome measures will be assessed before randomisation and at two-weeks and three-months after randomisation by physiotherapists unaware of intervention group allocation. This study will determine the impact of additional balance circuit classes on balance among rehabilitation inpatients. The results will provide essential information to guide evidence-based physiotherapy at the study site as well as across other rehabilitation inpatient settings. The protocol for this study is registered with the Australian New Zealand, Clinical Trials Registry: ACTRN=12611000412932.

Telerehabilitation using virtual reality task can improve balance in patients with stroke.

PubMed

Cikajlo, Imre; Rudolf, Marko; Goljar, Nika; Burger, Helena; Matjačić, Zlatko

2012-01-01

The objective of the telerehabilitation is a continuation of the rehabilitation process on patients' home. The study also compares the balance training in clinical environment with the telerehabilitation approach when the physiotherapists and physicians can follow the progress remotely. In this paper, the preliminary study of the pilot project with virtual reality (VR)-based tasks for dynamic standing frame supported balance training is presented. Six patients with stroke participated in the study. The patients performed the balance training 3 weeks, 2 weeks in the clinical settings and 1 week in the home environment, five times a week, and each time for up to 20 minutes. Objective effectiveness was demonstrated by parameters as track time, number of collisions and the clinical instruments Berg Balance Scale (BBS), Timed Up & Go (TUG), 10-m walk test and standing on the unaffected and affected extremity. The outcomes were compared to the balance training group without VR and telerehabilitation support. A 2-way ANOVA was used to explore the differences between the both stroke groups. In patients who were subject to VR supported balance training, the BBS demonstrated improvement for 15%, the TUG for 29%, the 10-m walk for 26%, stance time on the affected and unaffected extremity for 200 and 67%, respectively. The follow-up demonstrated that the patients preserved the gained functional improvement. The VR task performance time and number of collisions decreased to 45 and 68%, respectively. Besides, no statistical differences were found between the telerehabilitation approach with VR supported balance training and conventional balance training in clinical settings either regarding the overall mean level or regarding the mean improvement. The telerehabilitation approach in VR supported balance training improved balance in stroke patients and had similar effect on patients' postural functional improvement as conventional balance training in clinical settings. However, when balance training is continued on patient's home instead of the hospital, it would eventually decrease the number of outpatients' visits, reduce related costs and enable treatment of larger number of patients.

Development of a combined isotopic and mass-balance approach to determine dissolved organic carbon sources in eutrophic reservoirs.

PubMed

Pierson-Wickmann, Anne-Catherine; Gruau, Gérard; Jardé, Emilie; Gaury, Nicolas; Brient, Luc; Lengronne, Marion; Crocq, André; Helle, Daniel; Lambert, Thibault

2011-04-01

A combined mass-balance and stable isotope approach was set up to identify and quantify dissolved organic carbon (DOC) sources in a DOC-rich (9mgL(-1)) eutrophic reservoir located in Western France and used for drinking water supply (so-called Rophemel reservoir). The mass-balance approach consisted in measuring the flux of allochthonous DOC on a daily basis, and in comparing it with the effective (measured) DOC concentration of the reservoir. The isotopic approach consisted, for its part, in measuring the carbon isotope ratios (δ(13)C values) of both allochthonous and autochthonous DOC sources, and comparing these values with the δ(13)C values of the reservoir DOC. Results from both approaches were consistent pointing out for a DOC of 100% allochthonous origin. In particular, the δ(13)C values of the DOC recovered in the reservoir (-28.5±0.2‰; n=22) during the algal bloom season (May-September) showed no trace of an autochthonous contribution (δ(13)C in algae=-30.1±0.3‰; n=2) being indistinguishable from the δ(13)C values of allochthonous DOC from inflowing rivers (-28.6±0.1‰; n=8). These results demonstrate that eutrophication is not responsible for the high DOC concentrations observed in the Rophemel reservoir and that limiting eutrophication of this reservoir will not reduce the potential formation of disinfection by-products during water treatment. The methodology developed in this study based on a complementary isotopic and mass-balance approach provides a powerful tool, suitable to identify and quantify DOC sources in eutrophic, DOC-contaminated reservoirs. Copyright © 2010 Elsevier Ltd. All rights reserved.

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.

Contribution of adaptive thermogenesis to the hypothalamic regulation of energy balance.

PubMed

Lage, Ricardo; Fernø, Johan; Nogueiras, Rubén; Diéguez, Carlos; López, Miguel

2016-11-15

Obesity and its related disorders are among the most pervasive diseases in contemporary societies, and there is an urgent need for new therapies and preventive approaches. Given (i) our poor social capacity to correct unhealthy habits, and (ii) our evolutionarily genetic predisposition to store excess energy as fat, the current environment of caloric surplus makes the treatment of obesity extremely difficult. During the last few decades, an increasing number of methodological approaches have increased our knowledge of the neuroanatomical basis of the control of energy balance. Compelling evidence underlines the role of the hypothalamus as a homeostatic integrator of metabolic information and its ability to adjust energy balance. A greater understanding of the neural basis of the hypothalamic regulation of energy balance might indeed pave the way for new therapeutic targets. In this regard, it has been shown that several important peripheral signals, such as leptin, thyroid hormones, oestrogens and bone morphogenetic protein 8B, converge on common energy sensors, such as AMP-activated protein kinase to modulate sympathetic tone on brown adipose tissue. This knowledge may open new ways to counteract the chronic imbalance underlying obesity. Here, we review the current state of the art on the role of hypothalamus in the regulation of energy balance with particular focus on thermogenesis. © 2016 The Author(s); published by Portland Press Limited on behalf of the Biochemical Society.

Rules or consequences? The role of ethical mind-sets in moral dynamics.

PubMed

Cornelissen, Gert; Bashshur, Michael R; Rode, Julian; Le Menestrel, Marc

2013-04-01

Recent research on the dynamics of moral behavior has documented two contrasting phenomena-moral consistency and moral balancing. Moral balancing refers to the phenomenon whereby behaving ethically or unethically decreases the likelihood of engaging in the same type of behavior again later. Moral consistency describes the opposite pattern-engaging in ethical or unethical behavior increases the likelihood of engaging in the same type of behavior later on. The three studies reported here supported the hypothesis that individuals' ethical mind-set (i.e., outcome-based vs. rule-based) moderates the impact of an initial ethical or unethical act on the likelihood of behaving ethically on a subsequent occasion. More specifically, an outcome-based mind-set facilitated moral balancing, and a rule-based mind-set facilitated moral consistency.

Public Data Set: A Power-Balance Model for Local Helicity Injection Startup in a Spherical Tokamak

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

Barr, Jayson L.; Bongard, Michael W.; Burke, Marcus G.

This public data set contains openly-documented, machine readable digital research data corresponding to figures published in J.L. Barr et. al, 'A Power-Balance Model for Local Helicity Injection Startup in a Spherical Tokamak,' Nuclear Fusion 58, 076011 (2018).

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.

Detailed comparison of the geodetic and direct glaciological mass balances on an annual time scale at Hintereisferner, Austria

NASA Astrophysics Data System (ADS)

Klug, Christoph; Bollmann, Erik; Galos, Stephan; Kaser, Georg; Prinz, Rainer; Rieg, Lorenzo; Sailer, Rudolf

2016-04-01

The quantification of glacier mass changes is fundamental for glacier monitoring and provides important information for climate change assessments, hydrological applications and sea-level changes. On Alpine glaciers two methods of measuring glacier mass changes are widely applied: the direct glaciological method and the geodetic method. Over the last decades several studies compared the mass balance estimates obtained by both methods to identify and correct stochastic and systematic errors. In almost all of these studies, the time span for comparison between the two methods is about one decade or longer. On Hintereisferner (HEF; Ötztal Alps, Austria) mass balance measurements were initiated in the glaciological year 1952/53, resulting in a consistent mass balance data set with an estimated accuracy of ±0.2 m w.e. a-1. Furthermore, 11 airborne laser scanning (ALS) campaigns were conducted between 2001 and 2011 at HEF, all consistent in accuracy as well as in precision (± 0.04 to 0.10 m for slopes ≤ 50°). This is a world-wide unique ALS dataset of a glacierized alpine catchment. Flight campaigns were performed close to the end of the hydrological year (30th September). Resulting data provide high quality topographic information to derive glacier mass changes by applying the geodetic method. On sub-decadal time-scales such method comparisons are rare, or reveal unexplainable large discrepancies between both mass balance methods. In this study we estimate stochastic and systematic uncertainties of the ALS data for processing volume changes, and quantify methodological differences, such as density assumptions, unequal measurement dates, crevasses and glacier dynamics. Hence, we present a method to compare direct glaciological and geodetic mass balances on an annual basis. In a first step, we calculate the annual geodetic mass balance of HEF between 2001 and 2011, resulting in a thickness change map of the glacier. In a second step, the snow cover, which has eventually built up before the ALS acquisition, is corrected. As snow cover biases are particular uncertain, a statistical approach has been applied to assess combined DTM errors by using the population of DTM differences over stable terrain. This method incorporates all known and unknown error sources from the surface difference in stable areas and uses its median thickness for correction in all altitudinal belts. In addition, intensity data of the ALS surveys are used to classify the optical surface properties into ice and firn zones. The resulting grids with according conversion factors (900 and 700 kg/m³ for ice and firn, respectively) are combined to calculate mass changes. In a last step, the survey dates are adjusted, using numerous field observations. On an annual time scale, the geodetic mass balances of HEF corrected using this approach, correlate well with the results from the homogenized direct glaciological method. Significant deviations occur in years with few measurements in the uppermost areas applying the direct glaciological method, due to strong melt in areas not equipped with ablation stakes (cf. Figure 2 for 2002/03) or inaccessibility due to weather conditions. On the basis of these results, the conventional error risk (e.g. confidence levels), was adopted in order to test the null hypothesis and to check if unexplained discrepancies suggest reanalyses of glaciological mass balances. Regarding the cumulative mass balance, the deviations between the two methods tend to become smaller the longer the period of comparison extends. Averaged between 2001 and 2011 the largest sources of differences are snow cover and density assumptions having high uncertainties in their estimates and/or leading to higher error ranges in the geodetic mass balances. Some errors were found to have a minor impact and are not treated explicitly, such as uncertainties in different glacier outlines used in both methods or the influence of snow covered and snow free crevasses in successive years on the geodetic mass balance.

Regression Analysis and Calibration Recommendations for the Characterization of Balance Temperature Effects

NASA Technical Reports Server (NTRS)

Ulbrich, N.; Volden, T.

2018-01-01

Analysis and use of temperature-dependent wind tunnel strain-gage balance calibration data are discussed in the paper. First, three different methods are presented and compared that may be used to process temperature-dependent strain-gage balance data. The first method uses an extended set of independent variables in order to process the data and predict balance loads. The second method applies an extended load iteration equation during the analysis of balance calibration data. The third method uses temperature-dependent sensitivities for the data analysis. Physical interpretations of the most important temperature-dependent regression model terms are provided that relate temperature compensation imperfections and the temperature-dependent nature of the gage factor to sets of regression model terms. Finally, balance calibration recommendations are listed so that temperature-dependent calibration data can be obtained and successfully processed using the reviewed analysis methods.

Effect of a fall prevention program on balance maintenance using a quasi-experimental design in real-world settings.

PubMed

Robitaille, Yvonne; Fournier, Michel; Laforest, Sophie; Gauvin, Lise; Filiatrault, Johanne; Corriveau, Hélène

2012-08-01

To examine the effect of a fall prevention program offered under real-world conditions on balance maintenance several months after the program. To explore the program's impact on falls. A quasi-experimental study was conducted among community-dwelling seniors, with pre- and postintervention measures of balance performance and self-reported falls. Ten community-based organizations offered the intervention (98 participants) and 7 recruited participants to the study's control arm (102 participants). An earlier study examined balance immediately after the 12-week program. The present study focuses on the 12-month effect. Linear regression (balance) and negative binomial regression (falls) procedures were performed.falls. During the 12-month study period, experimental participants improved and maintained their balance as reflected by their scores on three performance tests. There was no evidence of an effect on falls.falls. Structured group exercise programs offered in community-based settings can maintain selected components of balance for several months after the program's end.

Two Studies of the Empirical Basis of Two Learning Resource-Oriented Motivational Strategies for Gifted Educators

ERIC Educational Resources Information Center

Vladut, Anamaria; Vialle, Wilma; Ziegler, Albert

2016-01-01

Two learning resource-oriented motivational strategies for gifted educators are introduced: a homeostatic orientation that aims for balance and an allostatic orientation that aims at growth. In order to establish the empirical basis of these motivational strategies, two studies were conducted with samples of students from a specialized…

Exercise Interventions for Preventing Falls Among Older People in Care Facilities: A Meta-Analysis.

PubMed

Lee, Seon Heui; Kim, Hee Sun

2017-02-01

Falls in older people are a common problem, often leading to considerable morbidity. However, the overall effect of exercise interventions on fall prevention in care facilities remains controversial. To evaluate the effectiveness of exercise interventions on the rate of falls and number of fallers in care facilities. A meta-analysis was conducted of randomized controlled trials published up to December 2014. Eight databases were searched including Ovid-Medline, Embase, CINAHL, Cochrane Library, KoreaMed, KMbase, KISS, and KisTi. Two investigators independently extracted data and assessed study quality. Twenty-one studies were selected, that included 5,540 participants. Fifteen studies included exercise as a single intervention, whereas the remaining six included exercise combined with two or more fall interventions tailored to each resident's fall risk (i.e., medication review, environmental modification or staff education). Meta-analysis showed that exercise had a preventive effect on the rate of falls (risk ratio [RR] 0.81, 95% CI 0.68-0.97). This effect was stronger when exercise combined with other fall interventions on the rate of falls (RR 0.61, 95% CI 0.52-0.72) and on the number of fallers (RR 0.85, 95% CI 0.77-0.95). Exercise interventions including balance training (i.e., gait, balance, and functional training; or balance and strength) resulted in reduced the rate of falls. Sensitivity analyses indicated that exercise interventions resulted in reduced numbers of recurrent fallers (RR 0.71, 95% CI 0.53-0.97). This review provides an important basis for developing evidence-based exercise intervention protocols for older people living in care facilities. Exercise programs, which are combined with tailored other fall interventions and challenge balance training to improve balance skills, should be applied to frail older people with functional limitations in institutional settings. © 2016 Sigma Theta Tau International.

Balance circuit classes to improve balance among rehabilitation inpatients: a protocol for a randomised controlled trial

PubMed Central

2013-01-01

Background Impaired balance and mobility are common among rehabilitation inpatients. Poor balance and mobility lead to an increased risk of falling. Specific balance exercise has been shown to improve balance and reduce falls within the community setting. However few studies have measured the effects of balance exercises on balance within the inpatient setting. The aim of this randomised controlled trial is to investigate whether the addition of circuit classes targeting balance to usual therapy lead to greater improvements in balance among rehabilitation inpatients than usual therapy alone. Methods/Design A single centre, randomised controlled trial with concealed allocation, assessor blinding and intention-to-treat analysis. One hundred and sixty two patients admitted to the general rehabilitation ward at Bankstown-Lidcombe Hospital will be recruited. Eligible participants will have no medical contraindications to exercise and will be able to: fully weight bear; stand unaided independently for at least 30 seconds; and participate in group therapy sessions with minimal supervision. Participants will be randomly allocated to an intervention group or usual-care control group. Both groups will receive standard rehabilitation intervention that includes physiotherapy mobility training and exercise for at least two hours on each week day. The intervention group will also receive six 1-hour circuit classes of supervised balance exercises designed to maximise the ability to make postural adjustments in standing, stepping and walking. The primary outcome is balance. Balance will be assessed by measuring the total time the participant can stand unsupported in five different positions; feet apart, feet together, semi-tandem, tandem and single-leg-stance. Secondary outcomes include mobility, self reported physical functioning, falls and hospital readmissions. Performance on the outcome measures will be assessed before randomisation and at two-weeks and three-months after randomisation by physiotherapists unaware of intervention group allocation. Discussion This study will determine the impact of additional balance circuit classes on balance among rehabilitation inpatients. The results will provide essential information to guide evidence-based physiotherapy at the study site as well as across other rehabilitation inpatient settings. Trial registration The protocol for this study is registered with the Australian New Zealand, Clinical Trials Registry: ACTRN=12611000412932 PMID:23870654

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.

Long-term Evaluation of Landuse Changes On Landscape Water Balance - A Case Study From North-east Germany

NASA Astrophysics Data System (ADS)

Wegehenkel, M.

In this paper, long-term effects of different afforestation scenarios on landscape wa- ter balance will be analyzed taking into account the results of a regional case study. This analysis is based on using a GIS-coupled simulation model for the the spatially distributed calculation of water balance.For this purpose, the modelling system THE- SEUS with a simple GIS-interface will be used. To take into account the special case of change in forest cover proportion, THESEUS was enhanced with a simple for- est growth model. In the regional case study, model runs will be performed using a detailed spatial data set from North-East Germany. This data set covers a mesoscale catchment located at the moraine landscape of North-East Germany. Based on this data set, the influence of the actual landuse and of different landuse change scenarios on water balance dynamics will be investigated taking into account the spatial distributed modelling results from THESEUS. The model was tested using different experimen- tal data sets from field plots as well as obsverded catchment discharge. Additionally to such convential validation techniques, remote sensing data were used to check the simulated regional distribution of water balance components like evapotranspiration in the catchment.

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.

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.

Iterative Strain-Gage Balance Calibration Data Analysis for Extended Independent Variable Sets

NASA Technical Reports Server (NTRS)

Ulbrich, Norbert Manfred

2011-01-01

A new method was developed that makes it possible to use an extended set of independent calibration variables for an iterative analysis of wind tunnel strain gage balance calibration data. The new method permits the application of the iterative analysis method whenever the total number of balance loads and other independent calibration variables is greater than the total number of measured strain gage outputs. Iteration equations used by the iterative analysis method have the limitation that the number of independent and dependent variables must match. The new method circumvents this limitation. It simply adds a missing dependent variable to the original data set by using an additional independent variable also as an additional dependent variable. Then, the desired solution of the regression analysis problem can be obtained that fits each gage output as a function of both the original and additional independent calibration variables. The final regression coefficients can be converted to data reduction matrix coefficients because the missing dependent variables were added to the data set without changing the regression analysis result for each gage output. Therefore, the new method still supports the application of the two load iteration equation choices that the iterative method traditionally uses for the prediction of balance loads during a wind tunnel test. An example is discussed in the paper that illustrates the application of the new method to a realistic simulation of temperature dependent calibration data set of a six component balance.

Working Sandwich Generation Women Utilize Strategies within and between Roles to Achieve Role Balance

PubMed Central

Girdler, Sonya J.

2016-01-01

Increasingly, women simultaneously balance the roles of mother, parental carer and worker. However, individual role balance strategies among these working ‘sandwich’ generation women have not been thoroughly explored. Eighteen women combining these three roles were interviewed about their individual role balance strategies. Findings were identified through the framework analysis technique, underpinned by the Model of Juggling Occupations. Achieving and maintaining role balance was explained as a complex process accomplished through a range of strategies. Findings revealed the women used six within-role balance strategies: living with integrity, being the best you can, doing what you love, loving what you do, remembering why and searching for signs of success. The women also described six between-role balance strategies: maintaining health and wellbeing, repressing perfectionism, managing time and energy, releasing responsibility, nurturing social connection and reciprocating. These findings provide a basis for health care providers to understand and potentially support working ‘sandwich’ generation women. PMID:27305074

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

Water balance monitoring for two bioretention gardens in Omaha, Nebraska, 2011–14

USGS Publications Warehouse

Strauch, Kellan R.; Rus, David L.; Holm, Kent E.

2016-01-29

Bioretention gardens are used to help mitigate stormwater runoff in urban settings in an attempt to restore the hydrologic response of the developed land to a natural predevelopment response in which more water is infiltrated rather than routed directly to urban drainage networks. To better understand the performance of bioretention gardens in facilitating infiltration of stormwater in eastern Nebraska, the U.S. Geological Survey, in cooperation with the Douglas County Environmental Services and the Nebraska Environmental Trust, assessed the water balance of two bioretention gardens located in Omaha, Nebraska by monitoring the amount of stormwater entering and leaving the gardens. One garden is on the Douglas County Health Center campus, and the other garden is on the property of the Eastern Nebraska Office on Aging.For the Douglas County Health Center, bioretention garden performance was evaluated on the basis of volume reduction by comparing total inflow volume to total outflow volume. The bioretention garden reduced inflow volumes from a minimum of 33 percent to 100 percent (a complete reduction in inflow volume) depending on the size of the event. Although variable, the percent reduction of the inflow volume tended to decrease with increasing total event rainfall. To assess how well the garden reduces stormwater peak inflow rates, peak inflows were plotted against peak outflows measured at the bioretention garden. Only 39 of the 255 events had any overflow, indicating 100 percent peak reduction in the other events. Of those 39 events having overflow, the mean peak reduction was 63 percent.No overflow events were recorded at the bioretention garden at the Eastern Nebraska Office on Aging; therefore, data were not available for an event-based overflow analysis.Monitoring period summary of the water balance at both bio-retention gardens indicates that most of the stormwater in the bioretention gardens is stored in the subsurface.Evapotranspiration was attributed to a small percentage of the outputs on an annual basis (3 percent at Douglas County Health Center site and 5 percent at Eastern Nebraska Office onAging site), which indicates that vegetative water uptake is not a primary factor in the water budget.

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.

Multi-scale kinetic description of granular clusters: invariance, balance, and temperature

NASA Astrophysics Data System (ADS)

Capriz, Gianfranco; Mariano, Paolo Maria

2017-12-01

We discuss a multi-scale continuum representation of bodies made of several mass particles flowing independently each other. From an invariance procedure and a nonstandard balance of inertial actions, we derive the balance equations introduced in earlier work directly in pointwise form, essentially on the basis of physical plausibility. In this way, we analyze their foundations. Then, we propose a Boltzmann-type equation for the distribution of kinetic energies within control volumes in space and indicate how such a distribution allows us to propose a definition of (granular) temperature along processes far from equilibrium.

A computer vision based candidate for functional balance test.

PubMed

Nalci, Alican; Khodamoradi, Alireza; Balkan, Ozgur; Nahab, Fatta; Garudadri, Harinath

2015-08-01

Balance in humans is a motor skill based on complex multimodal sensing, processing and control. Ability to maintain balance in activities of daily living (ADL) is compromised due to aging, diseases, injuries and environmental factors. Center for Disease Control and Prevention (CDC) estimate of the costs of falls among older adults was $34 billion in 2013 and is expected to reach $54.9 billion in 2020. In this paper, we present a brief review of balance impairments followed by subjective and objective tools currently used in clinical settings for human balance assessment. We propose a novel computer vision (CV) based approach as a candidate for functional balance test. The test will take less than a minute to administer and expected to be objective, repeatable and highly discriminative in quantifying ability to maintain posture and balance. We present an informal study with preliminary data from 10 healthy volunteers, and compare performance with a balance assessment system called BTrackS Balance Assessment Board. Our results show high degree of correlation with BTrackS. The proposed system promises to be a good candidate for objective functional balance tests and warrants further investigations to assess validity in clinical settings, including acute care, long term care and assisted living care facilities. Our long term goals include non-intrusive approaches to assess balance competence during ADL in independent living environments.

Agent-Based Mapping of Credit Risk for Sustainable Microfinance

PubMed Central

Lee, Joung-Hun; Jusup, Marko; Podobnik, Boris; Iwasa, Yoh

2015-01-01

By drawing analogies with independent research areas, we propose an unorthodox framework for mapping microfinance credit risk---a major obstacle to the sustainability of lenders outreaching to the poor. Specifically, using the elements of network theory, we constructed an agent-based model that obeys the stylized rules of microfinance industry. We found that in a deteriorating economic environment confounded with adverse selection, a form of latent moral hazard may cause a regime shift from a high to a low loan payment probability. An after-the-fact recovery, when possible, required the economic environment to improve beyond that which led to the shift in the first place. These findings suggest a small set of measurable quantities for mapping microfinance credit risk and, consequently, for balancing the requirements to reasonably price loans and to operate on a fully self-financed basis. We illustrate how the proposed mapping works using a 10-year monthly data set from one of the best-known microfinance representatives, Grameen Bank in Bangladesh. Finally, we discuss an entirely new perspective for managing microfinance credit risk based on enticing spontaneous cooperation by building social capital. PMID:25945790

Agent-based mapping of credit risk for sustainable microfinance.

PubMed

Lee, Joung-Hun; Jusup, Marko; Podobnik, Boris; Iwasa, Yoh

2015-01-01

By drawing analogies with independent research areas, we propose an unorthodox framework for mapping microfinance credit risk--a major obstacle to the sustainability of lenders outreaching to the poor. Specifically, using the elements of network theory, we constructed an agent-based model that obeys the stylized rules of microfinance industry. We found that in a deteriorating economic environment confounded with adverse selection, a form of latent moral hazard may cause a regime shift from a high to a low loan payment probability. An after-the-fact recovery, when possible, required the economic environment to improve beyond that which led to the shift in the first place. These findings suggest a small set of measurable quantities for mapping microfinance credit risk and, consequently, for balancing the requirements to reasonably price loans and to operate on a fully self-financed basis. We illustrate how the proposed mapping works using a 10-year monthly data set from one of the best-known microfinance representatives, Grameen Bank in Bangladesh. Finally, we discuss an entirely new perspective for managing microfinance credit risk based on enticing spontaneous cooperation by building social capital.

Reducing the risk of falls through proprioceptive dynamic posture training in osteoporotic women with kyphotic posturing: a randomized pilot study.

PubMed

Sinaki, Mehrsheed; Lynn, Susan G

2002-04-01

To assess the effect of a proprioceptive dynamic posture training program on balance in osteoporotic women with kyphotic posture. Subjects were randomly assigned to either a proprioceptive dynamic posture training program or exercise only group. Anthropometric measurements, muscle strength, level of physical activity, computerized dynamic posturography, and spine radiography were performed at baseline and 1 mo. At the 1-mo follow-up, three groups were formed on the basis of the baseline computerized dynamic posturography results. In general, groups 1 and 2 had no significant change at 1 mo, whereas group 3 improved balance significantly at 1 mo. The subjects who had abnormal balance and used the proprioceptive dynamic posture training program had the most significant improvement in balance. Improved balance could reduce the risk of falls.

Measurements of Weight Bearing Asymmetry Using the Nintendo Wii Fit Balance Board Are Not Reliable for Older Adults and Individuals With Stroke.

PubMed

Liuzzo, Derek M; Peters, Denise M; Middleton, Addie; Lanier, Wes; Chain, Rebecca; Barksdale, Brittany; Fritz, Stacy L

Clinicians and researchers have used bathroom scales, balance performance monitors with feedback, postural scale analysis, and force platforms to evaluate weight bearing asymmetry (WBA). Now video game consoles offer a novel alternative for assessing this construct. By using specialized software, the Nintendo Wii Fit balance board can provide reliable measurements of WBA in healthy, young adults. However, reliability of measurements obtained using only the factory settings to assess WBA in older adults and individuals with stroke has not been established. To determine whether measurements of WBA obtained using the Nintendo Wii Fit balance board and default settings are reliable in older adults and individuals with stroke. Weight bearing asymmetry was assessed using the Nintendo Wii Fit balance board in 2 groups of participants-individuals older than 65 years (n = 41) and individuals with stroke (n = 41). Participants were given a standardized set of instructions and were not provided auditory or visual feedback. Two trials were performed. Intraclass correlation coefficients (ICC), standard error of measure (SEM), and minimal detectable change (MDC) scores were determined for each group. The ICC for the older adults sample was 0.59 (0.35-0.76) with SEM95 = 6.2% and MDC95 = 8.8%. The ICC for the sample including individuals with stroke was 0.60 (0.47-0.70) with SEM95 = 9.6% and MDC95 = 13.6%. Although measurements of WBA obtained using the Nintendo Wii Fit balance board, and its default factory settings, demonstrate moderate reliability in older adults and individuals with stroke, the relatively high associated SEM and MDC values substantially reduce the clinical utility of the Nintendo Wii Fit balance board as an assessment tool for WBA. Weight bearing asymmetry cannot be measured reliably in older adults and individuals with stroke using the Nintendo Wii Fit balance board without the use of specialized software.

Measurements of Weight Bearing Asymmetry Using the Nintendo Wii Fit Balance Board Are Not Reliable for Older Adults and Individuals With Stroke

PubMed Central

Liuzzo, Derek M.; Peters, Denise M.; Middleton, Addie; Lanier, Wes; Chain, Rebecca; Barksdale, Brittany; Fritz, Stacy L.

2015-01-01

Background Clinicians and researchers have used bathroom scales, balance performance monitors with feedback, postural scale analysis, and force platforms to evaluate weight bearing asymmetry (WBA). Now video game consoles offer a novel alternative for assessing this construct. By using specialized software, the Nintendo Wii Fit balance board can provide reliable measurements of WBA in healthy, young adults. However, reliability of measurements obtained using only the factory settings to assess WBA in older adults and individuals with stroke has not been established. Purpose To determine whether measurements of WBA obtained using the Nintendo Wii Fit balance board and default settings are reliable in older adults and individuals with stroke. Methods Weight bearing asymmetry was assessed using the Nintendo Wii Fit balance board in 2 groups of participants—individuals older than 65 years (n = 41) and individuals with stroke (n = 41). Participants were given a standardized set of instructions and were not provided auditory or visual feedback. Two trials were performed. Intraclass correlation coefficients (ICC), standard error of measure (SEM), and minimal detectable change (MDC) scores were determined for each group. Results The ICC for the older adults sample was 0.59 (0.35–0.76) with SEM95= 6.2% and MDC95= 8.8%. The ICC for the sample including individuals with stroke was 0.60 (0.47–0.70) with SEM95= 9.6% and MDC95= 13.6%. Discussion Although measurements of WBA obtained using the Nintendo Wii Fit balance board, and its default factory settings, demonstrate moderate reliability in older adults and individuals with stroke, the relatively high associated SEM and MDC values substantially reduce the clinical utility of the Nintendo Wii Fit balance board as an assessment tool for WBA. Conclusions Weight bearing asymmetry cannot be measured reliably in older adults and individuals with stroke using the Nintendo Wii Fit balance board without the use of specialized software. PMID:26288237

Digital optical computer II

NASA Astrophysics Data System (ADS)

Guilfoyle, Peter S.; Stone, Richard V.

1991-12-01

OptiComp is currently completing a 32-bit, fully programmable digital optical computer (DOC II) that is designed to operate in a UNIX environment running RISC microcode. OptiComp's DOC II architecture is focused toward parallel microcode implementation where data is input in a dual rail format. By exploiting the physical principals inherent to optics (speed and low power consumption), an architectural balance of optical interconnects and software code efficiency can be achieved including high fan-in and fan-out. OptiComp's DOC II program is jointly sponsored by the Office of Naval Research (ONR), the Strategic Defense Initiative Office (SDIO), NASA space station group and Rome Laboratory (USAF). This paper not only describes the motivational basis behind DOC II but also provides an optical overview and architectural summary of the device that allows the emulation of any digital instruction set.

How Positive Affect Modulates Cognitive Control: Reduced Perseveration at the Cost of Increased Distractibility

ERIC Educational Resources Information Center

Dreisbach, Gesine; Goschke, Thomas

2004-01-01

A fundamental problem that organisms face in a changing environment is how to regulate dynamically the balance between stable maintenance and flexible switching of goals and cognitive sets. The authors show that positive affect plays an important role in the regulation of this stability-flexibility balance. In a cognitive set-switching paradigm,…

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.

Leadership and Work-Life Balance.

PubMed

Mattock, Sarah L

2015-01-01

Simply stated, work-life balance is something that is both difficult to define and difficult to achieve. Leaders, throughout the continuum of trauma care, need to have a sound understanding of what work-life balance means and set an example of a healthy work-life balance for those they lead. This article offers strategies for enhancing work-life balance and challenges individuals to use self-reflection as a means to furthering their personal and professional growth.

Fatigue-induced balance impairment in young soccer players.

PubMed

Pau, Massimiliano; Ibba, Gianfranco; Attene, Giuseppe

2014-01-01

Although balance is generally recognized to be an important feature in ensuring good performance in soccer, its link with functional performance remains mostly unexplored, especially in young athletes. To investigate changes in balance induced by fatigue for unipedal and bipedal static stances in young soccer players. Crossover study. Biomechanics laboratory and outdoor soccer field. Twenty-one male soccer players (age = 14.5 ± 0.2 years, height = 164.5 ± 5.6 cm, mass = 56.8 ± 6.8 kg). Static balance was assessed with postural-sway analysis in unipedal and bipedal upright stance before and after a fatigue protocol consisting of a repeated sprint ability (RSA) test (2 × 15-m shuttle sprint interspersed with 20 seconds of passive recovery, repeated 6 times). On the basis of the center-of-pressure (COP) time series acquired during the experimental tests, we measured sway area, COP path length, and COP maximum displacement and velocity in the anteroposterior and mediolateral directions. Fatigue increased all sway values in bipedal stance and all values except COP velocity in the mediolateral direction in unipedal stance. Fatigue index (calculated on the basis of RSA performance) was positively correlated with fatigue/rest sway ratio for COP path length and COP velocity in the anteroposterior and mediolateral directions for nondominant single-legged stance. Fatigued players exhibited reduced performance of the postural-control system. Participants with better performance in the RSA test appeared less affected by balance impairment, especially in single-legged stance.

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

Stress, overeating, and obesity: Insights from human studies and preclinical models.

PubMed

Razzoli, Maria; Pearson, Carolyn; Crow, Scott; Bartolomucci, Alessandro

2017-05-01

Eating disorders and obesity have become predominant in human society. Their association to modern lifestyle, encompassing calorie-rich diets, psychological stress, and comorbidity with major diseases are well documented. Unfortunately the biological basis remains elusive and the pharmacological treatment inadequate, in part due to the limited availability of valid animal models. Human research on binge eating disorder (BED) proves a strong link between stress exposure and bingeing: state-levels of stress and negative affect are linked to binge eating in individuals with BED both in laboratory settings and the natural environment. Similarly, classical animal models of BED reveal an association between acute exposure to stressors and binging but they are often associated with unchanged or decreased body weight, thus reflecting a negative energy balance, which is uncommon in humans where most commonly BED is associated with excessive or unstable body weight gain. Recent mouse models of subordination stress induce spontaneous binging and hyperphagia, altogether more closely mimicking the behavioral and metabolic features of human BED. Therefore the translational relevance of subordination stress models could facilitate the identification of the neurobiological basis of BED and obesity-associated disease and inform on the development of innovative therapies. Copyright © 2017 Elsevier Ltd. All rights reserved.

Scalar relativistic computations of nuclear magnetic shielding and g-shifts with the zeroth-order regular approximation and range-separated hybrid density functionals

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

Aquino, Fredy W.; Govind, Niranjan; Autschbach, Jochen

2011-10-01

Density functional theory (DFT) calculations of NMR chemical shifts and molecular g-tensors with Gaussian-type orbitals are implemented via second-order energy derivatives within the scalar relativistic zeroth order regular approximation (ZORA) framework. Nonhybrid functionals, standard (global) hybrids, and range-separated (Coulomb-attenuated, long-range corrected) hybrid functionals are tested. Origin invariance of the results is ensured by use of gauge-including atomic orbital (GIAO) basis functions. The new implementation in the NWChem quantum chemistry package is verified by calculations of nuclear shielding constants for the heavy atoms in HX (X=F, Cl, Br, I, At) and H2X (X = O, S, Se, Te, Po), and Temore » chemical shifts in a number of tellurium compounds. The basis set and functional dependence of g-shifts is investigated for 14 radicals with light and heavy atoms. The problem of accurately predicting F NMR shielding in UF6-nCln, n = 1 to 6, is revisited. The results are sensitive to approximations in the density functionals, indicating a delicate balance of DFT self-interaction vs. correlation. For the uranium halides, the results with the range-separated functionals are mixed.« less

Analysis of sea ice dynamics

NASA Technical Reports Server (NTRS)

Zwally, J.

1988-01-01

The ongoing work has established the basis for using multiyear sea ice concentrations from SMMR passive microwave for studies of largescale advection and convergence/divergence of the Arctic sea ice pack. Comparisons were made with numerical model simulations and buoy data showing qualitative agreement on daily to interannual time scales. Analysis of the 7-year SMMR data set shows significant interannual variations in the total area of multiyear ice. The scientific objective is to investigate the dynamics, mass balance, and interannual variability of the Arctic sea ice pack. The research emphasizes the direct application of sea ice parameters derived from passive microwave data (SMMR and SSMI) and collaborative studies using a sea ice dynamics model. The possible causes of observed interannual variations in the multiyear ice area are being examined. The relative effects of variations in the large scale advection and convergence/divergence within the ice pack on a regional and seasonal basis are investigated. The effects of anomolous atmospheric forcings are being examined, including the long-lived effects of synoptic events and monthly variations in the mean geostrophic winds. Estimates to be made will include the amount of new ice production within the ice pack during winter and the amount of ice exported from the pack.

The Relationship between Zinc Intake and Serum/Plasma Zinc Concentration in Children: A Systematic Review and Dose-Response Meta-Analysis

PubMed Central

Moran, Victoria Hall; Stammers, Anna-Louise; Medina, Marisol Warthon; Patel, Sujata; Dykes, Fiona; Souverein, Olga W.; Dullemeijer, Carla; Pérez-Rodrigo, Carmen; Serra-Majem, Lluis; Nissensohn, Mariela; Lowe, Nicola M.

2012-01-01

Recommendations for zinc intake during childhood vary widely across Europe. The EURRECA project attempts to consolidate the basis for the definition of micronutrient requirements, taking into account relationships among intake, status and health outcomes, in order to harmonise these recommendations. Data on zinc intake and biomarkers of zinc status reported in randomised controlled trials (RCTs) can provide estimates of dose-response relationships which may be used for underpinning zinc reference values. This systematic review included all RCTs of apparently healthy children aged 1–17 years published by February 2010 which provided data on zinc intake and biomarkers of zinc status. An intake-status regression coefficient () was calculated for each individual study and calculated the overall pooled and SE () using random effects meta-analysis on a double log scale. The pooled dose-response relationship between zinc intake and zinc status indicated that a doubling of the zinc intake increased the serum/plasma zinc status by 9%. This evidence can be utilised, together with currently used balance studies and repletion/depletion studies, when setting zinc recommendations as a basis for nutrition policies. PMID:23016120

26 CFR 801.1 - Balanced performance measurement system; in general.

Code of Federal Regulations, 2011 CFR

2011-04-01

... (CONTINUED) INTERNAL REVENUE PRACTICE BALANCED SYSTEM FOR MEASURING ORGANIZATIONAL AND EMPLOYEE PERFORMANCE... and regulatory provisions require the IRS to set performance goals for organizational units and to... 26 Internal Revenue 20 2011-04-01 2011-04-01 false Balanced performance measurement system; in...

26 CFR 801.1 - Balanced performance measurement system; in general.

Code of Federal Regulations, 2010 CFR

2010-04-01

... (CONTINUED) INTERNAL REVENUE PRACTICE BALANCED SYSTEM FOR MEASURING ORGANIZATIONAL AND EMPLOYEE PERFORMANCE... and regulatory provisions require the IRS to set performance goals for organizational units and to... 26 Internal Revenue 20 2010-04-01 2010-04-01 false Balanced performance measurement system; in...

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

A Balanced Marine Aquarium [and] The Biology of Marine Aquarium Fishes Collected in Monroe County, Florida. A Two-Paper NOAA Technical Memorandum.

ERIC Educational Resources Information Center

Palko, Barbara Jayne; And Others

This document consists of two separate papers. The first paper, "A Balanced Marine Aquarium" (Barbara Jayne Palko), discusses various aspects of a balanced marine aquarium. Information provided includes the basic and optional equipment needed to construct a balanced aquarium, preparations for setting up the aquarium, preparing the…

The impact of dependent-care responsibility and gender on work attitudes.

PubMed

Buffardi, L C; Smith, J L; O'Brien, A S; Erdwins, C J

1999-10-01

On the basis of a survey of 18,120 federal employees in dual-income households, six 5-stage hierarchical multiple regression analyses, controlling for 10 demographic variables, assessed the impact of child care, elder care, and gender on work-family balance and various facets of job satisfaction. Elder-care responsibility was associated with lower levels of satisfaction with perceived organizational support, pay, leave benefits, and work-family balance, whereas the negative main effects of child care were limited to leave benefits and work-family balance. However, child-care responsibility also interacted with gender: Its negative influence was greater on women's work-family balance and leave satisfaction. Decrements in satisfaction associated with dependent care on the "sandwich generation" were additive, not interactive.

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.

System engineering techniques for establishing balanced design and performance guidelines for the advanced telerobotic testbed

NASA Technical Reports Server (NTRS)

Zimmerman, W. F.; Matijevic, J. R.

1987-01-01

Novel system engineering techniques have been developed and applied to establishing structured design and performance objectives for the Telerobotics Testbed that reduce technical risk while still allowing the testbed to demonstrate an advancement in state-of-the-art robotic technologies. To estblish the appropriate tradeoff structure and balance of technology performance against technical risk, an analytical data base was developed which drew on: (1) automation/robot-technology availability projections, (2) typical or potential application mission task sets, (3) performance simulations, (4) project schedule constraints, and (5) project funding constraints. Design tradeoffs and configuration/performance iterations were conducted by comparing feasible technology/task set configurations against schedule/budget constraints as well as original program target technology objectives. The final system configuration, task set, and technology set reflected a balanced advancement in state-of-the-art robotic technologies, while meeting programmatic objectives and schedule/cost constraints.

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.

Comparison of mass balance, energy consumption and cost of composting facilities for different types of organic waste

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

Zhang Huijun; Matsuto, Toshihiko, E-mail: matsuto@eng.hokudai.ac.jp

2011-03-15

Mass balance, energy consumption and cost are basic pieces of information necessary for selecting a waste management technology. In this study, composting facilities that treat different types of organic waste were studied by questionnaire survey and via a chemical analysis of material collected at the facilities. The mass balance was calculated on a dry weight basis because the moisture content of organic waste was very high. Even though the ratio of bulking material to total input varied in the range 0-65% on a dry basis, the carbon and ash content, carbon/nitrogen ratio, heavy metal content and inorganic nutrients in themore » compost were clearly influenced by the different characteristics of the input waste. The use of bulking material was not correlated with ash or elemental content in the compost. The operating costs were categorised into two groups. There was some economy of scale for wages and maintenance cost, but the costs for electricity and fuel were proportional to the amount of waste. Differences in operating costs can be explained by differences in the process characteristics.« less

Applying GOES-derived fog frequency indices to water balance modeling for the Russian River Watershed, California

NASA Astrophysics Data System (ADS)

Torregrosa, A.; Flint, L. E.; Flint, A. L.; Peters, J.; Combs, C.

2014-12-01

Coastal fog modifies the hydrodynamic and thermodynamic properties of California watersheds with the greatest impact to ecosystem functioning during arid summer months. Lowered maximum temperatures resulting from inland penetration of marine fog are probably adequate to capture fog effects on thermal land surface characteristics however the hydrologic impact from lowered rates of evapotranspiration due to shade, fog drip, increased relative humidity, and other factors associated with fog events are more difficult to gauge. Fog products, such as those derived from National Weather Service Geostationary Operational Environmental Satellite (GOES) imagery, provide high frequency (up to 15 min) views of fog and low cloud cover and can potentially improve water balance models. Even slight improvements in water balance calculations can benefit urban water managers and agricultural irrigation. The high frequency of GOES output provides the opportunity to explore options for integrating fog frequency data into water balance models. This pilot project compares GOES-derived fog frequency intervals (6, 12 and 24 hour) to explore the most useful for water balance models and to develop model-relevant relationships between climatic and water balance variables. Seasonal diurnal thermal differences, plant ecophysiological processes, and phenology suggest that a day/night differentiation on a monthly basis may be adequate. To explore this hypothesis, we examined discharge data from stream gages and outputs from the USGS Basin Characterization Model for runoff, recharge, potential evapotranspiration, and actual evapotranspiration for the Russian River Watershed under low, medium, and high fog event conditions derived from hourly GOES imagery (1999-2009). We also differentiated fog events into daytime and nighttime versus a 24-hour compilation on a daily, monthly, and seasonal basis. Our data suggest that a daily time-step is required to adequately incorporate the hydrologic effect of fog.

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.

DEPARTMENT OF THE TREASURY: Information on the Office of Enforcement’s Operations

DTIC Science & Technology

2001-03-01

major law enforcement tool and tool for informing the public, on a city by city and national basis, of crime gun trends. Unlike many crime reports...investment in illegal market research (by NIJ) and improved joint understanding of the need to balance prosecution of armed offenders with prosecution of...Workforce Retention and Workload Balancing , which was overseen by an Executive Committee of Assistant Secretary (Enforcement), Assistant Secretary

12 CFR Appendix F to Part 226 - Annual Percentage Rate Computations for Certain Open-End Credit Plans

Code of Federal Regulations, 2010 CFR

2010-01-01

... adjusted balance (previous balance less payments and credits) and the consumer made a payment of $50 at the... convenience of the user, the revised text is set forth as follows: Pt. 226, App. F, Nt. Appendix F to Part 226... rate applies only to an adjusted balance (previous balance less payments and credits) and the consumer...

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.

Identifying Balance in a Balanced Scorecard System

ERIC Educational Resources Information Center

Aravamudhan, Suhanya; Kamalanabhan, T. J.

2007-01-01

In recent years, strategic management concepts seem to be gaining greater attention from the academicians and the practitioner's alike. Balanced Scorecard (BSC) concept is one such management concepts that has spread in worldwide business and consulting communities. The BSC translates mission and vision statements into a comprehensive set of…

77 FR 22666 - Payment System Risk Policy; Daylight Overdraft Posting Rules

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-17

... of separately-sorted savings bonds and to eliminate a reference to the contractual clearing balance... clearing balance program are effective July 12, 2012. FOR FURTHER INFORMATION CONTACT: Susan V. Foley... account balances according to a set of ``posting rules'' that determine the intraday timing of debits and...

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.

Achieving Work-Life Balance in the National Collegiate Athletic Association Division I Setting, Part I: The Role of the Head Athletic Trainer

PubMed Central

Mazerolle, Stephanie M.; Goodman, Ashley; Pitney, William A.

2015-01-01

Context: Supervisor support has been identified as key to the fulfillment of work-life balance for the athletic trainer (AT), yet limited literature exists on the perspectives of supervisors. Objective: To investigate how the head AT facilitates work-life balance among staff members within the National Collegiate Athletic Association Division I setting. Design: Qualitative study. Setting: Web-based management system. Patients or Other Participants: A total of 18 head ATs (13 men, 5 women; age = 44 ± 8 years, athletic training experience = 22 ± 7 years) volunteered for an asynchronous, Web-based interview. Data Collection and Analysis: Participants responded to a series of questions by journaling their thoughts and experiences. We included multiple-analyst triangulation, stakeholder checks, and peer review to establish data credibility. We analyzed the data via a general inductive approach. Results: Four prevailing themes emerged from the data: modeling work-life balance, encouraging disengagement from the AT role, cooperation and community workplace, and administrative support and understanding. Conclusions: Head ATs at the Division I level recognized the need to promote work-life balance among their staffs. They not only were supportive of policies that promote work-life balance, including spending time away from the role of the AT and teamwork among staff members, but also modeled and practiced the strategies that they promoted. PMID:25343530

Re-establishing glacier monitoring in Kyrgyzstan and Uzbekistan, Central Asia

NASA Astrophysics Data System (ADS)

Hoelzle, Martin; Azisov, Erlan; Barandun, Martina; Huss, Matthias; Farinotti, Daniel; Gafurov, Abror; Hagg, Wilfried; Kenzhebaev, Ruslan; Kronenberg, Marlene; Machguth, Horst; Merkushkin, Alexandr; Moldobekov, Bolot; Petrov, Maxim; Saks, Tomas; Salzmann, Nadine; Schöne, Tilo; Tarasov, Yuri; Usubaliev, Ryskul; Vorogushyn, Sergiy; Yakovlev, Andrey; Zemp, Michael

2017-10-01

Glacier mass loss is among the clearest indicators of atmospheric warming. The observation of these changes is one of the major objectives of the international climate monitoring strategy developed by the Global Climate Observing System (GCOS). Long-term glacier mass balance measurements are furthermore the basis for calibrating and validating models simulating future runoff of glacierised catchments. This is essential for Central Asia, which is one of the driest continental regions of the Northern Hemisphere. In the highly populated regions, water shortage due to decreased glacierisation potentially leads to pronounced political instability, drastic ecological changes and endangered food security. As a consequence of the collapse of the former Soviet Union, however, many valuable glacier monitoring sites in the Tien Shan and Pamir Mountains were abandoned. In recent years, multinational actors have re-established a set of important in situ measuring sites to continue the invaluable long-term data series. This paper introduces the applied monitoring strategy for selected glaciers in the Kyrgyz and Uzbek Tien Shan and Pamir, highlights the existing and the new measurements on these glaciers, and presents an example for how the old and new data can be combined to establish multi-decadal mass balance time series. This is crucial for understanding the impact of climate change on glaciers in this region.

Microclimatic modeling of the desert in the United Arab Emirates

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

Khalil, A.K.; Abdrabboh, M.A.; Kamel, K.A.

1996-10-01

The present study is concerned with the prediction of the weather parameters in the microclimate layer (less than 2 m above the ground surface) in the desert and sparsely vegetated areas in the United Arab Emirates. A survey was made of the weather data in these regions including solar radiation, wind speed, screen temperatures and relative humidity. Additionally, wind speed data were obtained at heights below two meters and surface albedo was recorded for various soil and vegetation conditions. A survey was also carried out for the different plant species in various areas of the U.A.E. Data on soil andmore » surface temperature were then analyzed. An energy balance model was formulated including incident short- and long-wave length radiation between earth and sky, convective heat transfer to/from earth surface, surface reflection of solar radiation and soil/plant evapotranspiration. An explicit one dimensional finite difference scheme was adapted to solve the resulting algebraic finite difference equations. The equation for surface nodes included thermal radiation as well as convection effects. The heat transfer coefficient was evaluated on the basis of wind speed and surface roughness at the site where the energy balance was set. Theoretical predictions of air and soil temperatures were accordingly compared to experimental measurements in selected sites, where reasonable agreements were observed.« less

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).

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.

Prototype Automated Equipment to Perform Poising and Beat Rate Operations on the M577 MTSQ Fuze.

DTIC Science & Technology

1978-09-30

Regulation Machine which sets the M577 Fuze Timer beat rate and the Automatic Poising Machine which J dynamically balances the Timer balance wheel...in trouble shooting., The Automatic Poising Machine Figure 3 which inspects and corrects the dynamic I balance of the Balance Wheel Assembly was...machine is intimately related to the fastening method of the wire to the Timer at one end and the Balance Wheel at the other, a review of the history

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.

Glacier modeling in support of field observations of mass balance at South Cascade Glacier, Washington, USA

USGS Publications Warehouse

Josberger, Edward G.; Bidlake, William R.

2010-01-01

The long-term USGS measurement and reporting of mass balance at South Cascade Glacier was assisted in balance years 2006 and 2007 by a new mass balance model. The model incorporates a temperature-index melt computation and accumulation is modeled from glacier air temperature and gaged precipitation at a remote site. Mass balance modeling was used with glaciological measurements to estimate dates and magnitudes of critical mass balance phenomena. In support of the modeling, a detailed analysis was made of the "glacier cooling effect" that reduces summer air temperature near the ice surface as compared to that predicted on the basis of a spatially uniform temperature lapse rate. The analysis was based on several years of data from measurements of near-surface air temperature on the glacier. The 2006 and 2007 winter balances of South Cascade Glacier, computed with this new, model-augmented methodology, were 2.61 and 3.41 mWE, respectively. The 2006 and 2007 summer balances were -4.20 and -3.63 mWE, respectively, and the 2006 and 2007 net balances were -1.59 and -0.22 mWE. PDF version of a presentation on the mass balance of South Cascade Glacier in Washington state. Presented at the American Geophysical Union Fall Meeting 2010.

Heat balance statistics derived from four-dimensional assimilations with a global circulation model

NASA Technical Reports Server (NTRS)

Schubert, S. D.; Herman, G. F.

1981-01-01

The reported investigation was conducted to develop a reliable procedure for obtaining the diabatic and vertical terms required for atmospheric heat balance studies. The method developed employs a four-dimensional assimilation mode in connection with the general circulation model of NASA's Goddard Laboratory for Atmospheric Sciences. The initial analysis was conducted with data obtained in connection with the 1976 Data Systems Test. On the basis of the results of the investigation, it appears possible to use the model's observationally constrained diagnostics to provide estimates of the global distribution of virtually all of the quantities which are needed to compute the atmosphere's heat and energy balance.

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.

Delay effects in the human sensory system during balancing.

PubMed

Stepan, Gabor

2009-03-28

Mechanical models of human self-balancing often use the Newtonian equations of inverted pendula. While these mathematical models are precise enough on the mechanical side, the ways humans balance themselves are still quite unexplored on the control side. Time delays in the sensory and motoric neural pathways give essential limitations to the stabilization of the human body as a multiple inverted pendulum. The sensory systems supporting each other provide the necessary signals for these control tasks; but the more complicated the system is, the larger delay is introduced. Human ageing as well as our actual physical and mental state affects the time delays in the neural system, and the mechanical structure of the human body also changes in a large range during our lives. The human balancing organ, the labyrinth, and the vision system essentially adapted to these relatively large time delays and parameter regions occurring during balancing. The analytical study of the simplified large-scale time-delayed models of balancing provides a Newtonian insight into the functioning of these organs that may also serve as a basis to support theories and hypotheses on balancing and vision.

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.

Evaluating the interdependence of aging-related changes in visual and auditory acuity, balance, and cognitive functioning.

PubMed

Hofer, Scott M; Berg, Stig; Era, Pertti

2003-06-01

High proportions of shared age-related variance are found among measures of perceptual acuity, balance, muscle strength, and cognitive capabilities in age-heterogeneous, cross-sectional studies. Reliance on cross-sectional studies is problematic, however, because associations may arise from age-related mean trends. Narrow age-cohort samples provide an alternative basis for testing hypotheses regarding associations among rates of change. Cross-domain associations were evaluated in combined 75-year-old cohort samples from Denmark, Finland, and Sweden. In general, no consistent associations were found across sensory, balance, strength, and cognitive domains. These findings indicate that the effects of aging on sensory acuity, balance, and cognitive functioning are likely to be largely independent, multidimensional, and complex at the level of the individual.

Improving the XAJ Model on the Basis of Mass-Energy Balance

NASA Astrophysics Data System (ADS)

Fang, Yuanhao; Corbari, Chiara; Zhang, Xingnan; Mancini, Marco

2014-11-01

Introduction: The Xin'anjiang(XAJ) model is a conceptual model developed by the group led by Prof. Ren-Jun Zhao, which takes the pan evaporation as one of its input and then computes the effective evapotranspiration (ET) of the catchment by mass balance. Such scheme can ensure a good performance of discharge simulation but has obvious defects, one of which is that the effective ET is spatially-constant over the computation unit, neglecting the spatial variation of variables that influence the effective ET and therefore the simulation of ET and SM by the XAJ model, comparing with discharge, is less reliable. In this study, The XAJ model was improved to employ both energy and mass balance to compute the ET following the energy-mass balance scheme of FEST-EWB. model.

Improving the XAJ Model on the Basis of Mass-Energy Balance

NASA Astrophysics Data System (ADS)

Fang, Yuanghao; Corbari, Chiara; Zhang, Xingnan; Mancini, Marco

2014-11-01

The Xin’anjiang(XAJ) model is a conceptual model developed by the group led by Prof. Ren-Jun Zhao, which takes the pan evaporation as one of its input and then computes the effective evapotranspiration (ET) of the catchment by mass balance. Such scheme can ensure a good performance of discharge simulation but has obvious defects, one of which is that the effective ET is spatially-constant over the computation unit, neglecting the spatial variation of variables that influence the effective ET and therefore the simulation of ET and SM by the XAJ model, comparing with discharge, is less reliable. In this study, The XAJ model was improved to employ both energy and mass balance to compute the ET following the energy-mass balance scheme of FEST-EWB. model.

Parameterizing a Large-scale Water Balance Model in Regions with Sparse Data: The Tigris-Euphrates River Basins as an Example

NASA Astrophysics Data System (ADS)

Flint, A. L.; Flint, L. E.

2010-12-01

The characterization of hydrologic response to current and future climates is of increasing importance to many countries around the world that rely heavily on changing and uncertain water supplies. Large-scale models that can calculate a spatially distributed water balance and elucidate groundwater recharge and surface water flows for large river basins provide a basis of estimates of changes due to future climate projections. Unfortunately many regions in the world have very sparse data for parameterization or calibration of hydrologic models. For this study, the Tigris and Euphrates River basins were used for the development of a regional water balance model at 180-m spatial scale, using the Basin Characterization Model, to estimate historical changes in groundwater recharge and surface water flows in the countries of Turkey, Syria, Iraq, Iran, and Saudi Arabia. Necessary input parameters include precipitation, air temperature, potential evapotranspiration (PET), soil properties and thickness, and estimates of bulk permeability from geologic units. Data necessary for calibration includes snow cover, reservoir volumes (from satellite data and historic, pre-reservoir elevation data) and streamflow measurements. Global datasets for precipitation, air temperature, and PET were available at very large spatial scales (50 km) through the world scale databases, finer scale WorldClim climate data, and required downscaling to fine scales for model input. Soils data were available through world scale soil maps but required parameterization on the basis of textural data to estimate soil hydrologic properties. Soil depth was interpreted from geomorphologic interpretation and maps of quaternary deposits, and geologic materials were categorized from generalized geologic maps of each country. Estimates of bedrock permeability were made on the basis of literature and data on driller’s logs and adjusted during calibration of the model to streamflow measurements where available. Results of historical water balance calculations throughout the Tigris and Euphrates River basins will be shown along with details of processing input data to provide spatial continuity and downscaling. Basic water availability analysis for recharge and runoff is readily available from a determinisitic solar radiation energy balance model and a global potential evapotranspiration model and global estimates of precipitation and air temperature. Future climate estimates can be readily applied to the same water and energy balance models to evaluate future water availability for countries around the globe.

Estimating of the impact of land use changes using the conceptual hydrological model THESEUS??a case study

NASA Astrophysics Data System (ADS)

Wegehenkel, Martin

As a result of a new agricultural funding policy established in 1992 by the European Community, it was assumed that up to 15-20% of arable land would have been set aside in the next years in the new federal states of north-eastern Germany, for example, Brandenburg. As one potential land use option, afforestation of these set aside areas was discussed to obtain deciduous forests. Since the mean annual precipitation in north-eastern Germany, Brandenburg is relatively low (480-530 mm y -1), an increase in interception and evapotranspiration loss by forests compared to arable land would lead to a reduction in ground water recharge. Experimental evidence to determine effects of such land use changes are rarely available. Therefore, there is a need for indirect methods to estimate the impact of afforestation on the water balance of catchments. In this paper, a conceptual hydrological model was verified and calibrated in two steps using data from the Stobber-catchment located in Brandenburg. In the first step, model outputs like daily evapotranspiration rates and soil water contents were verified on the basis of experimental data sets from two test locations. One test site with the land use arable land was located within the Stobber-catchment. The other test site with pine forest was located near by the catchment. In the second step, the model was used to estimate the impact of afforestation on catchment water balance and discharge. For that purpose, the model was calibrated against daily discharge measurements for the period 1995-1997. For a simple afforestation scenario, it was assumed that the area of forest increases from 34% up to 80% of the catchment area. The impact of this change in forest cover proportion was analyzed using the calibrated model. In case of increasing the proportion of forest cover in the catchment due to the scenario afforestation, the model predicts a reduction in discharge and an increase in evapotranspiration.

To dance or not to dance? A comparison of balance, physical fitness and quality of life in older Irish set dancers and age-matched controls.

PubMed

Shanahan, J; Coman, L; Ryan, F; Saunders, J; O'Sullivan, K; Ni Bhriain, O; Clifford, A M

2016-12-01

The objective of this study is to determine if older adults regularly participating in Irish set dancing have superior balance, physical fitness and quality of life compared to age-matched controls. This study used a community-based, observational cross-sectional design. Regular set dancers (n = 39) and age-matched controls (n = 33) were recruited. Participants were assessed using the physical activity scale for the elderly (physical activity levels), mini-BESTest (balance) and senior fitness test (battery of functional fitness tests). Quality of life was also assessed using the EuroQol EQ visual analogue scale. When controlling for between-group differences in levels of physical activity (ANCOVA analysis), the dancers had significantly better balance, functional capacity and quality of life (all P < 0.05) compared to controls. No differences between the groups were observed in other measures of functional fitness. The findings of this study suggest regular participation in set dancing is associated with health benefits for older adults. These results may inform future studies prospectively examining the role of set dancing for falls prevention, emotional well-being and cognitive function in community-dwelling older adults. Copyright © 2016 The Royal Society for Public Health. Published by Elsevier Ltd. All rights reserved.

Fulfillment of Work–Life Balance From the Organizational Perspective: A Case Study

PubMed Central

Mazerolle, Stephanie M.; Goodman, Ashley

2013-01-01

Context: Researchers studying work–life balance have examined policy development and implementation to create a family-friendly work environment from an individualistic perspective rather than from a cohort of employees working under the same supervisor. Objective: To investigate what factors influence work–life balance within the National Collegiate Athletic Association (NCAA) Division I clinical setting from the perspective of an athletic training staff. Design: Qualitative study. Setting: Web-based management system. Patients or Other Participants: Eight athletic trainers (5 men, 3 women; age = 38 ± 7 years) in the NCAA Division I setting. Data Collection and Analysis: Participants responded to a series of questions by journaling their thoughts and experiences. We included data-source triangulation, multiple-analyst triangulation, and peer review to establish data credibility. We analyzed the data via a grounded theory approach. Results: Three themes emerged from the data. Family-oriented and supportive work environment was described as a workplace that fosters and encourages work–life balance through professionally and personally shared goals. Nonwork outlets included activities, such as exercise and personal hobbies, that provide time away from the role of the athletic trainer. Individualistic strategies reflected that although the athletic training staff must work together and support one another, each staff member must have his or her own personal strategies to manage personal and professional responsibilities. Conclusions: The foundation for a successful work environment in the NCAA Division I clinical setting potentially can center on the management style of the supervisor, especially one who promotes teamwork among his or her staff members. Although a family-friendly work environment is necessary for work–life balance, each member of the athletic training staff must have personal strategies in place to fully achieve a balance. PMID:24067152

Work-life balancing: challenges and strategies.

PubMed

Chittenden, Eva H; Ritchie, Christine S

2011-07-01

Balancing the personal and the professional is an ongoing struggle for most professionals, and palliative care clinicians are no exception. A sustained lack of balance can lead to feelings of frustration, inadequacy, and guilt. Palliative care physicians may find this balance particularly difficult due to the nature of their work: caring for patients and families who are often suffering and in crisis. In this article, we describe challenges to work-life balancing and strategies that may promote balance, including "timeshifting," goal setting, cognitive reframing, and self-care. We argue that the search for balance is a lifelong endeavor that entails self-reflection and continuing examination of one's values and goals.

A Comparison of Two Balance Calibration Model Building Methods

NASA Technical Reports Server (NTRS)

DeLoach, Richard; Ulbrich, Norbert

2007-01-01

Simulated strain-gage balance calibration data is used to compare the accuracy of two balance calibration model building methods for different noise environments and calibration experiment designs. The first building method obtains a math model for the analysis of balance calibration data after applying a candidate math model search algorithm to the calibration data set. The second building method uses stepwise regression analysis in order to construct a model for the analysis. Four balance calibration data sets were simulated in order to compare the accuracy of the two math model building methods. The simulated data sets were prepared using the traditional One Factor At a Time (OFAT) technique and the Modern Design of Experiments (MDOE) approach. Random and systematic errors were introduced in the simulated calibration data sets in order to study their influence on the math model building methods. Residuals of the fitted calibration responses and other statistical metrics were compared in order to evaluate the calibration models developed with different combinations of noise environment, experiment design, and model building method. Overall, predicted math models and residuals of both math model building methods show very good agreement. Significant differences in model quality were attributable to noise environment, experiment design, and their interaction. Generally, the addition of systematic error significantly degraded the quality of calibration models developed from OFAT data by either method, but MDOE experiment designs were more robust with respect to the introduction of a systematic component of the unexplained variance.

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.

Families Finding the Balance: A Parent Handbook

MedlinePlus

... prohibits discrimination on the basis of age by contractors and subcontractors in the performance of Federal contracts, ... Executive Order 11246 states that no federally funded contractor my discriminate against any employee or applicant for ...

Maximizing lipocalin prediction through balanced and diversified training set and decision fusion.

PubMed

Nath, Abhigyan; Subbiah, Karthikeyan

2015-12-01

Lipocalins are short in sequence length and perform several important biological functions. These proteins are having less than 20% sequence similarity among paralogs. Experimentally identifying them is an expensive and time consuming process. The computational methods based on the sequence similarity for allocating putative members to this family are also far elusive due to the low sequence similarity existing among the members of this family. Consequently, the machine learning methods become a viable alternative for their prediction by using the underlying sequence/structurally derived features as the input. Ideally, any machine learning based prediction method must be trained with all possible variations in the input feature vector (all the sub-class input patterns) to achieve perfect learning. A near perfect learning can be achieved by training the model with diverse types of input instances belonging to the different regions of the entire input space. Furthermore, the prediction performance can be improved through balancing the training set as the imbalanced data sets will tend to produce the prediction bias towards majority class and its sub-classes. This paper is aimed to achieve (i) the high generalization ability without any classification bias through the diversified and balanced training sets as well as (ii) enhanced the prediction accuracy by combining the results of individual classifiers with an appropriate fusion scheme. Instead of creating the training set randomly, we have first used the unsupervised Kmeans clustering algorithm to create diversified clusters of input patterns and created the diversified and balanced training set by selecting an equal number of patterns from each of these clusters. Finally, probability based classifier fusion scheme was applied on boosted random forest algorithm (which produced greater sensitivity) and K nearest neighbour algorithm (which produced greater specificity) to achieve the enhanced predictive performance than that of individual base classifiers. The performance of the learned models trained on Kmeans preprocessed training set is far better than the randomly generated training sets. The proposed method achieved a sensitivity of 90.6%, specificity of 91.4% and accuracy of 91.0% on the first test set and sensitivity of 92.9%, specificity of 96.2% and accuracy of 94.7% on the second blind test set. These results have established that diversifying training set improves the performance of predictive models through superior generalization ability and balancing the training set improves prediction accuracy. For smaller data sets, unsupervised Kmeans based sampling can be an effective technique to increase generalization than that of the usual random splitting method. Copyright © 2015 Elsevier Ltd. All rights reserved.

Recommendations for a Core Outcome Set for Measuring Standing Balance in Adult Populations: A Consensus-Based Approach

PubMed Central

Sibley, Kathryn M.; Howe, Tracey; Lamb, Sarah E.; Lord, Stephen R.; Maki, Brian E.; Rose, Debra J.; Scott, Vicky; Stathokostas, Liza; Straus, Sharon E.; Jaglal, Susan B.

2015-01-01

Background Standing balance is imperative for mobility and avoiding falls. Use of an excessive number of standing balance measures has limited the synthesis of balance intervention data and hampered consistent clinical practice. Objective To develop recommendations for a core outcome set (COS) of standing balance measures for research and practice among adults. Methodology A combination of scoping reviews, literature appraisal, anonymous voting and face-to-face meetings with fourteen invited experts from a range of disciplines with international recognition in balance measurement and falls prevention. Consensus was sought over three rounds using pre-established criteria. Data sources The scoping review identified 56 existing standing balance measures validated in adult populations with evidence of use in the past five years, and these were considered for inclusion in the COS. Results Fifteen measures were excluded after the first round of scoring and a further 36 after round two. Five measures were considered in round three. Two measures reached consensus for recommendation, and the expert panel recommended that at a minimum, either the Berg Balance Scale or Mini Balance Evaluation Systems Test be used when measuring standing balance in adult populations. Limitations Inclusion of two measures in the COS may increase the feasibility of potential uptake, but poses challenges for data synthesis. Adoption of the standing balance COS does not constitute a comprehensive balance assessment for any population, and users should include additional validated measures as appropriate. Conclusions The absence of a gold standard for measuring standing balance has contributed to the proliferation of outcome measures. These recommendations represent an important first step towards greater standardization in the assessment and measurement of this critical skill and will inform clinical research and practice internationally. PMID:25768435

26 CFR 1.412(c)(1)-3 - Applying the minimum funding requirements to restored plans.

Code of Federal Regulations, 2010 CFR

2010-04-01

... balance in the funding standard account is set equal to zero when the initial restoration amortization... that are sufficient to prevent the outstanding balance of the initial restoration amortization base..., the maximum permitted outstanding balance of the initial restoration amortization base at the end of...

Balancing ecosystem values: innovative experiments for sustainable forestry—proceedings of a conference.

Treesearch

Charles E. Peterson; Douglas Maguire

2005-01-01

Balancing Ecosystem Values: Innovative Experiments for Sustainable Forestry is a compendium of more than 40 contributions from Asia, Europe, and North America. The theme encompasses experiments implemented at an operational scale to test ecological, social, or economic responses to silvicultural treatments designed to balance the complex set of...

Teaching Balance Training to Improve Stability and Cognition for Children

ERIC Educational Resources Information Center

Shim, Andrew L.; Norman, Shannon P.; Kim, Young Ae

2013-01-01

There are many benefits to having young children train or practice on balance boards. The physical education setting allows educators to provide opportunities for youth to develop essential fitness skills that can be transferred into other life experiences. Balance-board activities and exercises can help in training the central and peripheral…

Master's Student Life: The Balance between Student and Professional

ERIC Educational Resources Information Center

Grube, Sean A.; Cedarholm, Katie; Jones, Camilla; Dunn, Merrily

2005-01-01

This manuscript explores the concept of balance for master's students enrolled in student affairs preparation programs in the Southeast and Midwest. It provides research on the ways balance is restricted for master's students who are employed in a student affairs setting while also enrolled in preparation programs, and it investigates themes which…

Recommendations of the Panel on Cost-effectiveness in Health and Medicine.

PubMed

Weinstein, M C; Siegel, J E; Gold, M R; Kamlet, M S; Russell, L B

1996-10-16

To develop consensus-based recommendations for the conduct of cost-effectiveness analysis (CEA). This article, the second in a 3-part series, describes the basis for recommendations constituting the reference case analysis, the set of practices developed to guide CEAs that inform societal resource allocation decisions, and the content of these recommendations. The Panel on Cost-Effectiveness in Health and Medicine, a nonfederal panel with expertise in CEA, clinical medicine, ethics, and health outcomes measurement, was convened by the US Public Health Service (PHS). The panel reviewed the theoretical foundations of CEA, current practices, and alternative methods used in analyses. Recommendations were developed on the basis of theory where possible, but tempered by ethical and pragmatic considerations, as well as the needs of users. The panel developed recommendations through 2 1/2 years of discussions. Comments on preliminary drafts prepared by panel working groups were solicited from federal government methodologists, health agency officials, and academic methodologists. The panel's methodological recommendations address (1) components belonging in the numerator and denominator of a cost-effectiveness (C/E) ratio; (2) measuring resource use in the numerator of a C/E ratio; (3) valuing health consequences in the denominator of a C/E ratio; (4) estimating effectiveness of interventions; (5) incorporating time preference and discounting; and (6) handling uncertainty. Recommendations are subject to the ¿rule of reason,¿ balancing the burden engendered by a practice with its importance to a study. If researchers follow a standard set of methods in CEA, the quality and comparability of studies, and their ultimate utility, can be much improved.

Characterization of B-H agostic compounds involved in the dehydrogenation of amine-boranes by group 4 metallocenes.

PubMed

Zhu, Jingwen; Zins, Emilie-Laure; Alikhani, Mohammad Esmaïl

2016-12-01

For over a decade, amine-borane has been considered as a potential chemical hydrogen vector in the context of a search for cleaner energy sources. When catalyzed by organometallic complexes, the reaction mechanisms currently considered involve the formation of β-BH agostic intermediates. A thorough understanding of these intermediates may constitute a crucial step toward the identification of ideal catalysts. Topological approaches such as QTAIM and ELF revealed to be particularly suitable for the description of β-agostic interactions. When studying model catalysts, accurate theoretical calculations may be carried out. However, for a comparison with experimental data, calculations should also be carried out on large organo-metallic species, often including transition metals belonging to the second or the third row. In such a case, DFT methods are particularly attractive. Unfortunately, triple-ζ all electrons basis sets are not easily available for heavy transition metal elements. Thus, a subtle balance should be reached between the affordable level of calculations and the required accuracy of the electronic description of the systems. Herein we propose the use of B3LYP functional in combination with the LanL2DZ pseudopotential for the metal atom and 6-311++G(2d,2p) basis set for the other atoms, followed by a single point using the DKH2 relativistic Hamiltonian in combination with the B3LYP/DZP-DKH level, as a "minimum level of theory" leading to a consistent topological description of the interaction within the ELF and QTAIM framework, in the context of isolated (gas-phase) group 4 metallocene catalysts.

Improvement of the SEP protocol based on community structure of node degree

NASA Astrophysics Data System (ADS)

Li, Donglin; Wei, Suyuan

2017-05-01

Analyzing the Stable election protocol (SEP) in wireless sensor networks and aiming at the problem of inhomogeneous cluster-heads distribution and unreasonable cluster-heads selectivity and single hop transmission in the SEP, a SEP Protocol based on community structure of node degree (SEP-CSND) is proposed. In this algorithm, network node deployed by using grid deployment model, and the connection between nodes established by setting up the communication threshold. The community structure constructed by node degree, then cluster head is elected in the community structure. On the basis of SEP, the node's residual energy and node degree is added in cluster-heads election. The information is transmitted with mode of multiple hops between network nodes. The simulation experiments showed that compared to the classical LEACH and SEP, this algorithm balances the energy consumption of the entire network and significantly prolongs network lifetime.

Radiation effects in nematodes: Results from IML-1 experiments

NASA Technical Reports Server (NTRS)

Nelson, G. A.; Schubert, W. W.; Kazarians, G. A.; Richards, G. F.; Benton, E. V.; Benton, E. R.; Henke, R.

1994-01-01

The nematode Caenorhabditis elegans was exposed to natural space radiation using the ESA biorack facility aboard Spacelab on International Microgravity Laboratory 1, STS-42. For the major experimental objective dormant animals were suspended in buffer or on agar or immobilized next to CR-39 plastic nuclear track detectors to correlate fluence of HZE particles with genetic events. This configuration was used to isolate mutations in a set of 350 essential genes as well as in the unc-22 structural gene. From flight samples 13 mutants in the unc-22 gene were isolated along with 53 lethal mutations from autosomal regions balanced by a translocation eT1(III;V). Preliminary analysis suggests that mutants from worms correlated with specific cosmic ray tracks may have a higher proportion of rearrangements than those isolated from tube cultures on a randomly sampled basis. Flight sample mutation rate was approximately 8-fold higher than ground controls which exhibited laboratory spontaneous frequencies.

[Organ allocation system: between efficiency and equity].

PubMed

Antoine, Corinne

2007-02-15

Despite considerable efforts to promote organ donation and increase the amount of organ retrieval, demand for grafts is increasing and remains much higher then availability. This short supply is noticeable for all organ transplantation whether for heart, lungs, liver or pancreas but mainly for kidneys. The objective of graft allocation and attribution rules is to insure an allocation as fair as possible, to find the best recipient, to take into account the emergency of the need for grafting or the access difficulty for certain patients, and to seek optimal graft usage. These rules are based on the setting up of priority categories for patients whose lives are threatened on a very short-term basis or for those having difficult access to transplantation. This implies the issue of seeking the balance between an allocation as fair as possible and technical constraints associated with organ retrieval, transportation and graft quality preservation.

Development of balanced key performance indicators for emergency departments strategic dashboards following analytic hierarchical process.

PubMed

Safdari, Reza; Ghazisaeedi, Marjan; Mirzaee, Mahboobeh; Farzi, Jebrail; Goodini, Azadeh

2014-01-01

Dynamic reporting tools, such as dashboards, should be developed to measure emergency department (ED) performance. However, choosing an effective balanced set of performance measures and key performance indicators (KPIs) is a main challenge to accomplish this. The aim of this study was to develop a balanced set of KPIs for use in ED strategic dashboards following an analytic hierarchical process. The study was carried out in 2 phases: constructing ED performance measures based on balanced scorecard perspectives and incorporating them into analytic hierarchical process framework to select the final KPIs. The respondents placed most importance on ED internal processes perspective especially on measures related to timeliness and accessibility of care in ED. Some measures from financial, customer, and learning and growth perspectives were also selected as other top KPIs. Measures of care effectiveness and care safety were placed as the next priorities too. The respondents placed least importance on disease-/condition-specific "time to" measures. The methodology can be presented as a reference model for development of KPIs in various performance related areas based on a consistent and fair approach. Dashboards that are designed based on such a balanced set of KPIs will help to establish comprehensive performance measurements and fair benchmarks and comparisons.

Healthy Lifestyle: Women's Health

MedlinePlus

... increase the resistance level as you get stronger. Stretching. Stretching can help improve flexibility. Set aside time to ... when your muscles are warm and receptive to stretching. Stability and balance. Balance exercises improve stability and ...

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...

Arabidopsis plants acclimate to water deficit at low cost through changes of carbon usage: an integrated perspective using growth, metabolite, enzyme, and gene expression analysis.

PubMed

Hummel, Irène; Pantin, Florent; Sulpice, Ronan; Piques, Maria; Rolland, Gaëlle; Dauzat, Myriam; Christophe, Angélique; Pervent, Marjorie; Bouteillé, Marie; Stitt, Mark; Gibon, Yves; Muller, Bertrand

2010-09-01

Growth and carbon (C) fluxes are severely altered in plants exposed to soil water deficit. Correspondingly, it has been suggested that plants under water deficit suffer from C shortage. In this study, we test this hypothesis in Arabidopsis (Arabidopsis thaliana) by providing an overview of the responses of growth, C balance, metabolites, enzymes of the central metabolism, and a set of sugar-responsive genes to a sustained soil water deficit. The results show that under drought, rosette relative expansion rate is decreased more than photosynthesis, leading to a more positive C balance, while root growth is promoted. Several soluble metabolites accumulate in response to soil water deficit, with K(+) and organic acids as the main contributors to osmotic adjustment. Osmotic adjustment costs only a small percentage of the daily photosynthetic C fixation. All C metabolites measured (not only starch and sugars but also organic acids and amino acids) show a diurnal turnover that often increased under water deficit, suggesting that these metabolites are readily available for being metabolized in situ or exported to roots. On the basis of 30 enzyme activities, no in-depth reprogramming of C metabolism was observed. Water deficit induces a shift of the expression level of a set of sugar-responsive genes that is indicative of increased, rather than decreased, C availability. These results converge to show that the differential impact of soil water deficit on photosynthesis and rosette expansion results in an increased availability of C for the roots, an increased turnover of C metabolites, and a low-cost C-based osmotic adjustment, and these responses are performed without major reformatting of the primary metabolism machinery.

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

Introducing the Balanced Scorecard: Creating Metrics to Measure Performance

ERIC Educational Resources Information Center

Gumbus, Andra

2005-01-01

This experiential exercise presents the concept of the Balanced Scorecard (BSC) and applies it in a university setting. The Balanced Scorecard was developed 12 years ago and has grown in popularity and is used by more than 50% of the Fortune 500 companies as a performance measurement and strategic management tool. The BSC expands the traditional…

75 FR 48367 - Hearing on Certain Issues Relating to Lifetime Income Options for Participants and Beneficiaries...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-10

... retirement income decisions. 3. Disclosure of Account Balances as Monthly Income Streams. Many commenters... that, in addition to their account balance, sets forth their benefit in the form of a monthly lifetime benefit. If so, should such income streams be based on the participant's accrued benefit (account balance...

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.

Balanced multiwavelets with interpolatory property.

PubMed

Li, Baobin; Peng, Lizhong

2011-05-01

Balanced multiwavelets with interpolatory property are discussed in this paper. This kind of multiwavelets can have a sampling property like Shannon's sampling theorem. It has been shown that the corresponding matrix-valued refinable mask has special structure, and an orthogonal multifilter bank {H(z),G(z)} can be reduced to a scalar valued conjugate quadrature filter (CQF) a(z) . But it does not mean that any scalar CQF can form a "good" multifilter bank which can generate a vector-valued refinable function with some degree of smoothness. In the context of balanced multiwavelets, we give the definition of transferring balance order, which a scalar CQF a(z) satisfies, to guarantee that the multiwavelet Ψ generated is balanced. On the basis of the parametrization of a scalar CQF with any length and conditions of transferring balance order, parametrization of multifilter banks which can generate interpolatory multiwavelet and interpolatory scaling function, is gotten. Moreover, some balanced interpolatory multiwavelets have been constructed. Interpolatory analysis-ready multiwavelets (armlets) are also discussed in this paper. It is known that conditions of armlets are easy to validate, compared with balanced multiwavelets. But it will be present that if the corresponding scaling function Φ is interpolatory, the multiwavelet Ψ is balanced of order n if and only if it is an armlet of order n. Finally, the application of balanced multiwavelets with interpolatory property in image processing is also discussed.

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.

Analysis of Sting Balance Calibration Data Using Optimized Regression Models

NASA Technical Reports Server (NTRS)

Ulbrich, Norbert; Bader, Jon B.

2009-01-01

Calibration data of a wind tunnel sting balance was processed using a search algorithm that identifies an optimized regression model for the data analysis. The selected sting balance had two moment gages that were mounted forward and aft of the balance moment center. The difference and the sum of the two gage outputs were fitted in the least squares sense using the normal force and the pitching moment at the balance moment center as independent variables. The regression model search algorithm predicted that the difference of the gage outputs should be modeled using the intercept and the normal force. The sum of the two gage outputs, on the other hand, should be modeled using the intercept, the pitching moment, and the square of the pitching moment. Equations of the deflection of a cantilever beam are used to show that the search algorithm s two recommended math models can also be obtained after performing a rigorous theoretical analysis of the deflection of the sting balance under load. The analysis of the sting balance calibration data set is a rare example of a situation when regression models of balance calibration data can directly be derived from first principles of physics and engineering. In addition, it is interesting to see that the search algorithm recommended the same regression models for the data analysis using only a set of statistical quality metrics.

Analysis of Sting Balance Calibration Data Using Optimized Regression Models

NASA Technical Reports Server (NTRS)

Ulbrich, N.; Bader, Jon B.

2010-01-01

Calibration data of a wind tunnel sting balance was processed using a candidate math model search algorithm that recommends an optimized regression model for the data analysis. During the calibration the normal force and the moment at the balance moment center were selected as independent calibration variables. The sting balance itself had two moment gages. Therefore, after analyzing the connection between calibration loads and gage outputs, it was decided to choose the difference and the sum of the gage outputs as the two responses that best describe the behavior of the balance. The math model search algorithm was applied to these two responses. An optimized regression model was obtained for each response. Classical strain gage balance load transformations and the equations of the deflection of a cantilever beam under load are used to show that the search algorithm s two optimized regression models are supported by a theoretical analysis of the relationship between the applied calibration loads and the measured gage outputs. The analysis of the sting balance calibration data set is a rare example of a situation when terms of a regression model of a balance can directly be derived from first principles of physics. In addition, it is interesting to note that the search algorithm recommended the correct regression model term combinations using only a set of statistical quality metrics that were applied to the experimental data during the algorithm s term selection process.

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.

Mass and surface energy balance of A.P. Olsen ice cap, NE Greenland, from observations and modeling (1995-2011)

NASA Astrophysics Data System (ADS)

Hillerup Larsen, S.; Citterio, M.; Hock, R. M.; Ahlstrom, A. P.

2012-12-01

The A.P. Olsen Ice Cap (74.6 N, 21.5 W) in NE Greenland covers an area of 295 km2, is composed by two domes, of which the western is the largest, and spans an elevation range between 200 and 1450 m a.s.l. In this study we calculate the 2008-2011 annual glacier mass balance based on in situ observations, we model the surface energy balance over the same period, and we reconstruct annual glacier mass balance since 1995. We use GlacioBasis Monitoring Programme observations from a network of 15 ablation stakes and three automatic weather stations (AWS) at 600 m (ca. 100 m higher than the terminus) and at 840 m on the main glacier outlet of the western dome, and at 1430 m in the accumulation area. Accumulation is measured every year in springtime by snow radar surveys calibrated with manual probing and density profiles from snow pits. GlacioBasis data start in 2008, but a longer time series starting in 1995 is available from a weather station at 44 m a.s.l. close to Zackenberg Research Station, ca. 30 km further west. Shorter data series from three more AWS on land at 145 m, 410 m and 1283 m a.s.l. are used to estimate monthly average temperature lapse rates outside of the glacier boundary layer, and to detect the occurrence of temperature inversions. The surface energy mass balance is dominated by the radiative fluxes. We discuss the effect of shadows from the valley sides over parts of the tongue, especially early and late in the melt season when the sun is lower over the horizon, and analyze the modeled mass balance sensitivity to a 1 °C temperature increase. A temperature index model driven by the 1995-2008 time series and calibrated using post-2008 glacier mass balance measurements shows large interannual variability, with 5 of the most negative mass balance years of the entire 1995-2011period occurring between 2003 and 2008. In particular during 2008 the glacier experienced almost no net accumulation over the entire elevation range. This matches 2008 mass balance observations at Freya Glacier on Clavering Island, ca. 40 km SW of A.P. Olsen (WGMS Gl. Mass Bal. Bull. n. 11, 2011).

The Six-Component Wind Balance

NASA Technical Reports Server (NTRS)

Zahm, A F

1923-01-01

Dr. Zahm's report is a description of the six-component wind-tunnel balance in use at the Aerodynamic Laboratory, Washington Navy Yard. The description of the balance gives the mechanical details and the method of operation, and is accompanied by line drawings showing the construction of the balance. The balance is of particular interest, as it allows the model to be set up quickly and accurately in roll, pitch, and yaw, without stopping the wind. It is possible to measure automatically, directly, and independently the drag, cross-wind force, and lift; also the rolling, pitching, and yawing moments. It is also possible to make the balance self-recording.

Validity and reliability of balance assessment software using the Nintendo Wii balance board: usability and validation

PubMed Central

2014-01-01

Background A balance test provides important information such as the standard to judge an individual’s functional recovery or make the prediction of falls. The development of a tool for a balance test that is inexpensive and widely available is needed, especially in clinical settings. The Wii Balance Board (WBB) is designed to test balance, but there is little software used in balance tests, and there are few studies on reliability and validity. Thus, we developed a balance assessment software using the Nintendo Wii Balance Board, investigated its reliability and validity, and compared it with a laboratory-grade force platform. Methods Twenty healthy adults participated in our study. The participants participated in the test for inter-rater reliability, intra-rater reliability, and concurrent validity. The tests were performed with balance assessment software using the Nintendo Wii balance board and a laboratory-grade force platform. Data such as Center of Pressure (COP) path length and COP velocity were acquired from the assessment systems. The inter-rater reliability, the intra-rater reliability, and concurrent validity were analyzed by an intraclass correlation coefficient (ICC) value and a standard error of measurement (SEM). Results The inter-rater reliability (ICC: 0.89-0.79, SEM in path length: 7.14-1.90, SEM in velocity: 0.74-0.07), intra-rater reliability (ICC: 0.92-0.70, SEM in path length: 7.59-2.04, SEM in velocity: 0.80-0.07), and concurrent validity (ICC: 0.87-0.73, SEM in path length: 5.94-0.32, SEM in velocity: 0.62-0.08) were high in terms of COP path length and COP velocity. Conclusion The balance assessment software incorporating the Nintendo Wii balance board was used in our study and was found to be a reliable assessment device. In clinical settings, the device can be remarkably inexpensive, portable, and convenient for the balance assessment. PMID:24912769

Validity and reliability of balance assessment software using the Nintendo Wii balance board: usability and validation.

PubMed

Park, Dae-Sung; Lee, GyuChang

2014-06-10

A balance test provides important information such as the standard to judge an individual's functional recovery or make the prediction of falls. The development of a tool for a balance test that is inexpensive and widely available is needed, especially in clinical settings. The Wii Balance Board (WBB) is designed to test balance, but there is little software used in balance tests, and there are few studies on reliability and validity. Thus, we developed a balance assessment software using the Nintendo Wii Balance Board, investigated its reliability and validity, and compared it with a laboratory-grade force platform. Twenty healthy adults participated in our study. The participants participated in the test for inter-rater reliability, intra-rater reliability, and concurrent validity. The tests were performed with balance assessment software using the Nintendo Wii balance board and a laboratory-grade force platform. Data such as Center of Pressure (COP) path length and COP velocity were acquired from the assessment systems. The inter-rater reliability, the intra-rater reliability, and concurrent validity were analyzed by an intraclass correlation coefficient (ICC) value and a standard error of measurement (SEM). The inter-rater reliability (ICC: 0.89-0.79, SEM in path length: 7.14-1.90, SEM in velocity: 0.74-0.07), intra-rater reliability (ICC: 0.92-0.70, SEM in path length: 7.59-2.04, SEM in velocity: 0.80-0.07), and concurrent validity (ICC: 0.87-0.73, SEM in path length: 5.94-0.32, SEM in velocity: 0.62-0.08) were high in terms of COP path length and COP velocity. The balance assessment software incorporating the Nintendo Wii balance board was used in our study and was found to be a reliable assessment device. In clinical settings, the device can be remarkably inexpensive, portable, and convenient for the balance assessment.

Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets

NASA Astrophysics Data System (ADS)

Hill, J. Grant; Peterson, Kirk A.; Knizia, Gerald; Werner, Hans-Joachim

2009-11-01

Accurate extrapolation to the complete basis set (CBS) limit of valence correlation energies calculated with explicitly correlated MP2-F12 and CCSD(T)-F12b methods have been investigated using a Schwenke-style approach for molecules containing both first and second row atoms. Extrapolation coefficients that are optimal for molecular systems containing first row elements differ from those optimized for second row analogs, hence values optimized for a combined set of first and second row systems are also presented. The new coefficients are shown to produce excellent results in both Schwenke-style and equivalent power-law-based two-point CBS extrapolations, with the MP2-F12/cc-pV(D,T)Z-F12 extrapolations producing an average error of just 0.17 mEh with a maximum error of 0.49 for a collection of 23 small molecules. The use of larger basis sets, i.e., cc-pV(T,Q)Z-F12 and aug-cc-pV(Q,5)Z, in extrapolations of the MP2-F12 correlation energy leads to average errors that are smaller than the degree of confidence in the reference data (˜0.1 mEh). The latter were obtained through use of very large basis sets in MP2-F12 calculations on small molecules containing both first and second row elements. CBS limits obtained from optimized coefficients for conventional MP2 are only comparable to the accuracy of the MP2-F12/cc-pV(D,T)Z-F12 extrapolation when the aug-cc-pV(5+d)Z and aug-cc-pV(6+d)Z basis sets are used. The CCSD(T)-F12b correlation energy is extrapolated as two distinct parts: CCSD-F12b and (T). While the CCSD-F12b extrapolations with smaller basis sets are statistically less accurate than those of the MP2-F12 correlation energies, this is presumably due to the slower basis set convergence of the CCSD-F12b method compared to MP2-F12. The use of larger basis sets in the CCSD-F12b extrapolations produces correlation energies with accuracies exceeding the confidence in the reference data (also obtained in large basis set F12 calculations). It is demonstrated that the use of the 3C(D) Ansatz is preferred for MP2-F12 CBS extrapolations. Optimal values of the geminal Slater exponent are presented for the diagonal, fixed amplitude Ansatz in MP2-F12 calculations, and these are also recommended for CCSD-F12b calculations.

Hypsometric control on glacier mass balance sensitivity in Alaska

NASA Astrophysics Data System (ADS)

McGrath, D.; Sass, L.; Arendt, A. A.; O'Neel, S.; Kienholz, C.; Larsen, C.; Burgess, E. W.

2015-12-01

Mass loss from glaciers in Alaska is dominated by strongly negative surface balances, particularly on small, continental glaciers but can be highly variable from glacier to glacier. Glacier hypsometry can exert significant control on mass balance sensitivity, particularly if the equilibrium line altitude (ELA) is in a broad area of low surface slope. In this study, we explore the spatial variability in glacier response to future climate forcings on the basis of hypsometry. We first derive mass balance sensitivities (30-70 m ELA / 1° C and 40-90 m ELA / 50% decrease in snow accumulation) from the ~50-year USGS Benchmark glaciers mass balance record. We subsequently assess mean climate fields in 2090-2100 derived from the IPCC AR5/CMIP5 RCP 6.0 5-model mean. Over glaciers in Alaska, we find 2-4° C warming and 10-20% increase in precipitation relative to 2006-2015, but a corresponding 0-50% decrease in snow accumulation due to rising temperatures. We assess changes in accumulation area ratios (AAR) to a rising ELA using binned individual glacier hypsometries. For an ELA increase of 150 m, the mean statewide AAR drops by 0.45, representing a 70% reduction in accumulation area on an individual glacier basis. Small, interior glaciers are the primary drivers of this reduction and for nearly 25% of all glaciers, the new ELA exceeds the glacier's maximum elevation, portending eventual loss. The loss of small glaciers, particularly in the drier interior of Alaska will significantly modify streamflow properties (flashy hydrographs, earlier and reduced peak flows, increased interannual variability, warmer temperatures) with poorly understood downstream ecosystem and oceanographic impacts.

Availability and the use of work-life balance benefits guaranteed by the Polish Labour Code among workers employed on the basis of employment contracts in small and medium enterprises.

PubMed

Andysz, Aleksandra; Jacukowicz, Aleksandra; Stańczak, Aleksander; Drabek, Marcin

2016-01-01

Polish Labour Code provides employees with a range of solutions (benefits) supporting them in achieving balance between work and private life. This paper was aimed at indicating availability and the use of legal benefits supporting work-life balance (WLB) among Polish workers of small and medium enterprises. The study sample included 219 respondents, aged 22-64, working in small and medium enterprises and employed on the basis of employment contracts for at least a year. The respondents completed a questionnaire on availability and the use of benefits guaranteed by the Polish Labour Code, referring to their current workplaces. Most frequently the studied employees took sick leave because of one's own illness and leave on demand. In our sample, 45% of the women took maternity leave and 26% of the men took paternity leave. The respondents took educational and parental leave the least frequently. More than half of the respondents (58%) did not return to the same position after leave devoted to childcare, even though they had such a possibility. In fact, most of work-life balance benefits guaranteed by law were available to the employees of small and medium enterprises, regardless of their gender. Availability and the use of the majority of benefits were similar among the women and men. Availability of benefits depended on the specificity of industry and a profession, thus, future research on work-life balance policy should control for variables related to the character of work. This work is available in Open Access model and licensed under a CC BY-NC 3.0 PL license.

An Alternate Set of Basis Functions for the Electromagnetic Solution of Arbitrarily-Shaped, Three-Dimensional, Closed, Conducting Bodies Using Method of Moments

NASA Technical Reports Server (NTRS)

Mackenzie, Anne I.; Baginski, Michael E.; Rao, Sadasiva M.

2008-01-01

In this work, we present an alternate set of basis functions, each defined over a pair of planar triangular patches, for the method of moments solution of electromagnetic scattering and radiation problems associated with arbitrarily-shaped, closed, conducting surfaces. The present basis functions are point-wise orthogonal to the pulse basis functions previously defined. The prime motivation to develop the present set of basis functions is to utilize them for the electromagnetic solution of dielectric bodies using a surface integral equation formulation which involves both electric and magnetic cur- rents. However, in the present work, only the conducting body solution is presented and compared with other data.

How to achieve a work-life balance.

PubMed

Westwood, Claire

2010-11-01

Understanding who you are in terms of your values, skills, passions and motivations will help you to make the most of your abilities and improve your work-life balance. This article sets out steps to achieve this.

A novel method for multifactorial bio-chemical experiments design based on combinational design theory.

PubMed

Wang, Xun; Sun, Beibei; Liu, Boyang; Fu, Yaping; Zheng, Pan

2017-01-01

Experimental design focuses on describing or explaining the multifactorial interactions that are hypothesized to reflect the variation. The design introduces conditions that may directly affect the variation, where particular conditions are purposely selected for observation. Combinatorial design theory deals with the existence, construction and properties of systems of finite sets whose arrangements satisfy generalized concepts of balance and/or symmetry. In this work, borrowing the concept of "balance" in combinatorial design theory, a novel method for multifactorial bio-chemical experiments design is proposed, where balanced templates in combinational design are used to select the conditions for observation. Balanced experimental data that covers all the influencing factors of experiments can be obtianed for further processing, such as training set for machine learning models. Finally, a software based on the proposed method is developed for designing experiments with covering influencing factors a certain number of times.

Migration impact on load balancing - an experience on Amoeba

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

Zhu, W.; Socko, P.

1996-12-31

Load balancing has been extensive study by simulation, positive results were received in most of the researches. With the increase of the availability oftlistributed systems, a few experiments have been carried out on different systems. These experimental studies either depend on task initiation or task initiation plus task migration. In this paper, we present the results of an 0 study of load balancing using a centralizedpolicy to manage the load on a set of processors, which was carried out on an Amoeba system which consists of a set of 386s and linked by 10 Mbps Ethernet. The results on onemore » hand indicate the necessity of a load balancing facility for a distributed system. On the other hand, the results question the impact of using process migration to increase system performance under the configuration used in our experiments.« less

Goal setting with type 2 diabetes: a hermeneutic analysis of the experiences of diabetes educators.

PubMed

Fleming, Susan E; Boyd, Angela; Ballejos, Miriam; Kynast-Gales, Susan A; Malemute, Charlene L; Armstrong Shultz, Jill; Vandermause, Roxanne K

2013-01-01

The purpose of this study was to explicate and interpret common experiences of diabetes educators (DEs) with patient goal setting for patients with type 2 diabetes in diabetes education. Transcripts (n = 10) from semi-structured interviews were analyzed using a hermeneutic phenomenological approach to more deeply explore the accounts of DEs' goal setting with patients with type 2 diabetes. The overarching pattern that emerged was "Striking a Balance," which subsumed 4 subthemes: Applying Theoretical-Practical Principles When Setting Goals, Identifying Idealistic-Realistic Expectations, Creating Patient-Educator-Centered Plans, and Readying-Living With Goal Setting. The pattern, "Striking a Balance," revealed a common meaning of DEs as experiences requiring balance and nuance in goal setting with patients. The results of this study combined with the tenets of the self-determination theory can provide the DEs with real-life exemplars and a theoretical framework to encourage their patients to self-manage, increase intrinsic motivation, and improve adherence related to their lifestyle changes and glycemic control. DEs, as facilitators of change, can implement these changes with flexible and reciprocal activities with their patients. The DEs owned these activities and they are: "building the bond," "sharing the session," "readying for change," "sending them home," and "bringing them back."

'Finding a balance' in involving patients in goal setting early after stroke: a physiotherapy perspective.

PubMed

Lloyd, A; Roberts, A R; Freeman, J A

2014-09-01

Collaborative goal setting (between patient and professional) confers benefits within stroke and neurological rehabilitation, and is recommended in clinical guidelines. However, evidence suggests that patient participation in rehabilitation goal setting is not maximized, particularly within the hospital setting. The purpose of this study was to investigate physiotherapists' perceptions about their experiences of collaborative goal setting with patients in the sub-acute stages after stroke, in the hospital setting. This qualitative study employed constructivist grounded theory methodology. Nine physiotherapists, of varying experience, were selected using purposive then theoretical sampling from three National Health Service hospital stroke units in England. Semi-structured interviews were conducted, audio-recorded and transcribed. Transcripts were coded and analysed using the constant comparative method of grounded theory to find common themes. Three themes emerged from the data: 1) 'coming to terms with stroke' - the individual patient journey; 2) the evolution of goal setting skill - the individual physiotherapist journey; and 3) 'finding a balance' - managing expectations and negotiating interactions. A provisional grounded theory was constructed, which highlighted that, from the physiotherapists' perspective, collaboration with patients within goal setting early after stroke involved finding a balance between numerous different drivers, which have the potential to compete. Patient-directed and therapist-directed goal setting approaches could be viewed as opposite ends of a continuum, along which patient-centred goal setting is possible. Physiotherapists perceived that collaborating with patients in goal setting was important but challenging. Goal setting interactions with other professionals, patients and families were perceived as complex, difficult and requiring significant effort. The importance of individuality and temporality were recognized suggesting that the goal setting approach needs to be adapted to the context and the individuals involved. Copyright © 2013 John Wiley & Sons, Ltd.

Correction of energy-dependent systematic errors in dual-energy X-ray CT using a basis material coefficients transformation method

NASA Astrophysics Data System (ADS)

Goh, K. L.; Liew, S. C.; Hasegawa, B. H.

1997-12-01

Computer simulation results from our previous studies showed that energy dependent systematic errors exist in the values of attenuation coefficient synthesized using the basis material decomposition technique with acrylic and aluminum as the basis materials, especially when a high atomic number element (e.g., iodine from radiographic contrast media) was present in the body. The errors were reduced when a basis set was chosen from materials mimicking those found in the phantom. In the present study, we employed a basis material coefficients transformation method to correct for the energy-dependent systematic errors. In this method, the basis material coefficients were first reconstructed using the conventional basis materials (acrylic and aluminum) as the calibration basis set. The coefficients were then numerically transformed to those for a more desirable set materials. The transformation was done at the energies of the low and high energy windows of the X-ray spectrum. With this correction method using acrylic and an iodine-water mixture as our desired basis set, computer simulation results showed that accuracy of better than 2% could be achieved even when iodine was present in the body at a concentration as high as 10% by mass. Simulation work had also been carried out on a more inhomogeneous 2D thorax phantom of the 3D MCAT phantom. The results of the accuracy of quantitation were presented here.

Dispersion corrected hartree-fock and density functional theory for organic crystal structure prediction.

PubMed

Brandenburg, Jan Gerit; Grimme, Stefan

2014-01-01

We present and evaluate dispersion corrected Hartree-Fock (HF) and Density Functional Theory (DFT) based quantum chemical methods for organic crystal structure prediction. The necessity of correcting for missing long-range electron correlation, also known as van der Waals (vdW) interaction, is pointed out and some methodological issues such as inclusion of three-body dispersion terms are discussed. One of the most efficient and widely used methods is the semi-classical dispersion correction D3. Its applicability for the calculation of sublimation energies is investigated for the benchmark set X23 consisting of 23 small organic crystals. For PBE-D3 the mean absolute deviation (MAD) is below the estimated experimental uncertainty of 1.3 kcal/mol. For two larger π-systems, the equilibrium crystal geometry is investigated and very good agreement with experimental data is found. Since these calculations are carried out with huge plane-wave basis sets they are rather time consuming and routinely applicable only to systems with less than about 200 atoms in the unit cell. Aiming at crystal structure prediction, which involves screening of many structures, a pre-sorting with faster methods is mandatory. Small, atom-centered basis sets can speed up the computation significantly but they suffer greatly from basis set errors. We present the recently developed geometrical counterpoise correction gCP. It is a fast semi-empirical method which corrects for most of the inter- and intramolecular basis set superposition error. For HF calculations with nearly minimal basis sets, we additionally correct for short-range basis incompleteness. We combine all three terms in the HF-3c denoted scheme which performs very well for the X23 sublimation energies with an MAD of only 1.5 kcal/mol, which is close to the huge basis set DFT-D3 result.

Combined effects of knee brace, laterally wedged insoles and toe-in gait on knee adduction moment and balance in moderate medial knee osteoarthritis patients.

PubMed

Khan, Saad Jawaid; Khan, Soobia Saad; Usman, Juliana; Mokhtar, Abdul Halim; Abu Osman, Noor Azuan

2018-03-01

To test the hypothesis that toe-in gait (TI) will further reduce first peak (Knee Adduction Moment) KAM and decrease balance when combined with a knee brace (KB) and laterally wedged insoles (LWI) in medial knee osteoarthritis (kOA) patients. Twenty patients with bilateral symptomatic medial kOA. 4-point leverage-based KB, full-length LWI with 5° inclination and toe-in gait (TI). First and second peak knee adduction moment (fKAM and sKAM respectively), balance and pain. The fKAM and sKAM were determined from 3-dimensional gait analysis with six randomized conditions: (1) N (without any intervention), (2) KB, (3) KB + TI, (4) LWI, (5) LWI + TI, (6) KB + LWI + TI. Balance was assessed by Biodex Balance System using three stability settings, (i) Static (ii) Moderate dynamic setting for fall risk (FR12) and (iii) High dynamic setting for fall risk (FR8). The reduction in fKAM and sKAM was greatest (19.75% and 12%) when TI was combined with KB and LWI respectively. No change in balance was observed when TI combined with KB, and LWI and when used concurrently with both the orthosis at static and FR12 conditions. Significant balance reduction was found at FR8 for KB + TI (22.22%), and KB + LWI + TI (35.71%). Pain increased significantly for KB (258%), KB + TI (305%), LWI + TI (210%) and KB + LWI + TI (316%). LWI showed no effect on pain. There is a synergistic effect of TI when combined with KB and LWI concurrently in sKAM reduction. However, the concurrent use of TI, KB and LWI decreases balance and pain as assessed on a highly dynamic platform. Copyright © 2018 Elsevier B.V. All rights reserved.

Point Set Denoising Using Bootstrap-Based Radial Basis Function.

PubMed

Liew, Khang Jie; Ramli, Ahmad; Abd Majid, Ahmad

2016-01-01

This paper examines the application of a bootstrap test error estimation of radial basis functions, specifically thin-plate spline fitting, in surface smoothing. The presence of noisy data is a common issue of the point set model that is generated from 3D scanning devices, and hence, point set denoising is one of the main concerns in point set modelling. Bootstrap test error estimation, which is applied when searching for the smoothing parameters of radial basis functions, is revisited. The main contribution of this paper is a smoothing algorithm that relies on a bootstrap-based radial basis function. The proposed method incorporates a k-nearest neighbour search and then projects the point set to the approximated thin-plate spline surface. Therefore, the denoising process is achieved, and the features are well preserved. A comparison of the proposed method with other smoothing methods is also carried out in this study.

Emotional intelligence and job performance: The mediating role of work-family balance.

PubMed

Weinzimmer, Laurence G; Baumann, Heidi M; Gullifor, Daniel P; Koubova, Veronika

2017-01-01

In this study, we examine the dynamics between emotional intelligence, work-family balance, and job performance. A review of the literature to date has shown distinct relationships between emotional intelligence to job performance and work-family balance to job performance. We utilize a sample of 233 respondents to empirically test our set of hypotheses that contend work-family balance mediates the relationship between emotional intelligence and job performance. Our results support these hypotheses. Practical implications and directions for future research are discussed.

Surface Mass Balance of the Columbia Glacier, Alaska, 1978 and 2010 Balance Years

USGS Publications Warehouse

O'Neel, Shad

2012-01-01

Although Columbia Glacier is one of the largest sources of glacier mass loss in Alaska, surface mass balance measurements are sparse, with only a single data set available from 1978. The dearth of surface mass-balance data prohibits partitioning of the total mass losses between dynamics and surface forcing; however, the accurate inclusion of calving glaciers into predictive models requires both dynamic and climatic forcing of total mass balance. During 2010, the U.S. Geological Survey collected surface balance data at several locations distributed over the surface of Columbia Glacier to estimate the glacier-wide annual balance for balance year 2010 using the 2007 area-altitude distribution. This report also summarizes data collected in 1978, calculates the 1978 annual surface balance, and uses these observations to constrain the 2010 values, particularly the shape of the balance profile. Both years exhibit balances indicative of near-equilibrium surface mass-balance conditions, and demonstrate the importance of dynamic processes during the rapid retreat.

Tai Chi and balance control.

PubMed

Wong, Alice M K; Lan, Ching

2008-01-01

Balance function begins to decline from middle age on, and poor balance function increases the risk of fall and injury. Suitable exercise training may improve balance function and prevent accidental falls. The coordination of visual, proprioceptive, vestibular and musculoskeletal system is important to maintain balance. Balance function can be evaluated by functional balance testing and sensory organization testing. Tai Chi Chuan (TC) is a popular conditioning exercise in the Chinese community, and recent studies substantiate that TC is effective in balance function enhancement and falls prevention. In studies utilizing functional balance testing, TC may increase the duration of one-leg standing and the distance of functional reach. In studies utilizing sensory organization testing, TC improves static and dynamic balance, especially in more challenging sensory perturbed condition. Therefore, TC may be prescribed as an alternative exercise program for elderly subjects or balance-impaired patients. Participants can choose to perform a complete set of TC or selected movements according to their needs. In conclusion, TC may improve balance function and is appropriate for implementation in the community.

Gait post-stroke: Pathophysiology and rehabilitation strategies.

PubMed

Beyaert, C; Vasa, R; Frykberg, G E

2015-11-01

We reviewed neural control and biomechanical description of gait in both non-disabled and post-stroke subjects. In addition, we reviewed most of the gait rehabilitation strategies currently in use or in development and observed their principles in relation to recent pathophysiology of post-stroke gait. In both non-disabled and post-stroke subjects, motor control is organized on a task-oriented basis using a common set of a few muscle modules to simultaneously achieve body support, balance control, and forward progression during gait. Hemiparesis following stroke is due to disruption of descending neural pathways, usually with no direct lesion of the brainstem and cerebellar structures involved in motor automatic processes. Post-stroke, improvements of motor activities including standing and locomotion are variable but are typically characterized by a common postural behaviour which involves the unaffected side more for body support and balance control, likely in response to initial muscle weakness of the affected side. Various rehabilitation strategies are regularly used or in development, targeting muscle activity, postural and gait tasks, using more or less high-technology equipment. Reduced walking speed often improves with time and with various rehabilitation strategies, but asymmetric postural behaviour during standing and walking is often reinforced, maintained, or only transitorily decreased. This asymmetric compensatory postural behaviour appears to be robust, driven by support and balance tasks maintaining the predominant use of the unaffected side over the initially impaired affected side. Based on these elements, stroke rehabilitation including affected muscle strengthening and often stretching would first need to correct the postural asymmetric pattern by exploiting postural automatic processes in various particular motor tasks secondarily beneficial to gait. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

[Work and Training Conditions of Young German Physicians in Internal Medicine - Results of a Second Nationwide Survey by Young Internists from the German Society of Internal Medicine and the German Professional Association of Internists.

PubMed

Raspe, Matthias; Vogelgesang, Anja; Fendel, Johannes; Weiß, Cornelius; Schulte, Kevin; Rolling, Thierry

2018-04-01

 Medical specialty training is the basis for career development of young internists and it is vital for the delivery of high-quality medical care. In 2014 the young internists of two professional bodies in Germany conducted a survey among their young members and described major factors influencing training and working conditions. We present the results of a follow-up survey to describe changes of these factors over time. An additional focus is set on the difficulties of balancing medical career and family.  In the end of 2016 we conducted an online-based survey of all members in training of the German Society of Internal Medicine (DGIM) and the Professional Association of German Internists (BDI). The questionnaire used in the 2014 survey was modified and items investigating the balance between career and family were added.  A total of 1587 questionnaires were returned and analysed. Mayor findings did not change over time. Psychosocial strain remains very high among medical trainees in internal medicine. A structured training curriculum and meaningful feedback are associated with lower psychosocial strain and higher work satisfaction. Internists - and here especially women - with children experience the daily balance of medical career and family as extremely challenging.  These results demonstrate that there is still a serious need for adjusting training and working conditions of young internists in Germany. Especially the role and increasing importance of female physicians has to be recognized by enabling a successful integration of medical career and family. © Georg Thieme Verlag KG Stuttgart · New York.

Computational study of the electronic spectra of the rare gas fluorohydrides HRgF (Rg = Ar, Kr, Xe, Rn)

NASA Astrophysics Data System (ADS)

van Hoeve, Miriam D.; Klobukowski, Mariusz

2018-03-01

Simulation of the electronic spectra of HRgF (Rg = Ar, Kr, Xe, Rn) was carried out using the time-dependent density functional method, with the CAMB3LYP functional and several basis sets augmented with even-tempered diffuse functions. A full spectral assignment for the HRgF systems was done. The effect of the rare gas matrix on the HRgF (Rg = Ar and Kr) spectra was investigated and it was found that the matrix blue-shifted the spectra. Scalar relativistic effects on the spectra were also studied and it was found that while the excitation energies of HArF and HKrF were insignificantly affected by relativistic effects, most of the excitation energies of HXeF and HRnF were red-shifted. Spin-orbit coupling was found to significantly affect excitation energies in HRnF. Analysis of performance of the model core potential basis set relative to all-electron (AE) basis sets showed that the former basis set increased computational efficiency and gave results similar to those obtained with the AE basis set.

Midbond basis functions for weakly bound complexes

NASA Astrophysics Data System (ADS)

Shaw, Robert A.; Hill, J. Grant

2018-06-01

Weakly bound systems present a difficult problem for conventional atom-centred basis sets due to large separations, necessitating the use of large, computationally expensive bases. This can be remedied by placing a small number of functions in the region between molecules in the complex. We present compact sets of optimised midbond functions for a range of complexes involving noble gases, alkali metals and small molecules for use in high accuracy coupled -cluster calculations, along with a more robust procedure for their optimisation. It is shown that excellent results are possible with double-zeta quality orbital basis sets when a few midbond functions are added, improving both the interaction energy and the equilibrium bond lengths of a series of noble gas dimers by 47% and 8%, respectively. When used in conjunction with explicitly correlated methods, near complete basis set limit accuracy is readily achievable at a fraction of the cost that using a large basis would entail. General purpose auxiliary sets are developed to allow explicitly correlated midbond function studies to be carried out, making it feasible to perform very high accuracy calculations on weakly bound complexes.

Increment and mortality in a virgin Douglas-fir forest.

Treesearch

Robert W. Steele; Norman P. Worthington

1955-01-01

Is there any basis to the forester's rule of thumb that virgin forests eventually reach an equilibrium where increment and mortality approximately balance? Are we wasting potential timber volume by failing to salvage mortality in old-growth stands?

A Water Balance Approach to Characterizing the Hydroclimatology of a Mountainous Semi-arid Catchment

NASA Astrophysics Data System (ADS)

Chauvin, G.; Flerchinger, G.; Marks, D.; Link, T.

2004-12-01

A long-term water balance is needed to understand the hydrology of mountainous semi-arid catchments, which exhibit considerable interannual variability in precipitation and temperature as well as spatial variation in snow accumulation, soils, and vegetation. Long-term data sets reduce the uncertainty associated with estimating water balance quantities that are difficult to measure in practice. In this study, the data required to compute a long-term water balance are assembled from on-site and nearby locations to create a continuous 21-year hourly record of precipitation, meteorological parameters, and streamflow for the Upper Sheep Creek (USC) catchment, a 26 ha, snow-fed, semi-arid rangeland headwater drainage within the Reynolds Creek Experimental Watershed in southwestern Idaho, USA. This study will allow us to extend a previous 10-year water balance (water years 1985-1994) computed for the USC catchment, enabling a more thorough consideration of climate variability including periods of drought and flood. It also sets the stage for analyzing the hydrologic response of the USC catchment to a prescribed fire planned for 2006. Statistical correlations between on-site and nearby meteorological stations were used to develop a complete 21-year hourly data set (water years 1984-2004) of climate and precipitation records. These data will be used to drive the Simultaneous Heat and Water (SHAW) model to simulate evaporation and transpiration, precipitation, storage, and stream discharge. Water balance quantities will be computed for separate landscape units and then aggregated for the overall watershed. This research will improve our ability to manage water resources in semi-arid mountain regions.

Reading and understanding financial statements.

PubMed

White, Joseph P

2005-01-01

Feeling comfortable reading and understanding financial statements is critical to the success of healthcare executives and physicians involved in management. Businesses use three primary financial statements: a balance sheet represents the equation, Assets = Liabilities + Equity; an income statement represents the equation, Revenues - Expenses = Net Income; a statement of cash flows reports all sources and uses of cash during the represented period. The balance sheet expresses financial indicators at one particular moment in time, whereas the income statement and the statement of cash flows show activity that occurred over a stretch of time. Additional information is disclosed in attached footnotes and other supplementary materials. There are two ways to prepare financial statements. Cash-basis accounting recognizes revenue when it is received and expenses when they are paid. Accrual-basis accounting recognizes revenue when it is earned and expenses when they are incurred. Although cash-basis is acceptable, periodically using the accrual method reveals important information about receivables and liabilities that could otherwise remain hidden. Become more engaged with your financial statements by spending time reading them, tracking key performance indicators, and asking accountants and financial advisors questions. This will help you better understand your business and build a successful future.

Motherhood and work-life balance in the national collegiate athletic association division I setting: mentors and the female athletic trainer.

PubMed

Eason, Christianne M; Mazerolle, Stephanie M; Goodman, Ashley

2014-01-01

One of the greatest catalysts for turnover among female athletic trainers (ATs) is motherhood, especially if employed at the National Collegiate Athletic Association Division I level. The medical education literature regularly identifies the importance of role models in professional character formation. However, few researchers have examined the responsibility of mentorship and professional role models as it relates to female ATs' perceptions of motherhood and retention. To evaluate perceptions of motherhood and retention in relation to mentorship and role models among female ATs currently employed in the collegiate setting. Qualitative study. Female athletic trainers working in National Collegiate Athletic Association Division I. Twenty-seven female ATs employed in the National Collegiate Athletic Association Division I setting volunteered. Average age of the participants was 35 ± 9 years. All were full-time ATs with an average of 11 ± 8 years of clinical experience. Participants responded to questions by journaling their thoughts and experiences. Multiple-analyst triangulation and peer review were included as steps to establish data credibility. Male and female role models and mentors can positively or negatively influence the career and work-life balance perceptions of female ATs working in the Division I setting. Female ATs have a desire to see more women in the profession handle the demands of motherhood and the demands of their clinical setting. Women who have had female mentors are more positive about the prospect of balancing the rigors of motherhood and job demands. Role models and mentors are valuable resources for promoting perseverance in the profession in the highly demanding clinical settings. As more female ATs remain in the profession who are able to maintain work-life balance and are available to serve as role models, the attitudes of other women may start to change.

Upper limb contributions to frontal plane balance control in rollator-assisted walking.

PubMed

Tung, James Y; Gage, William H; Poupart, Pascal; McIlroy, William E

2014-01-01

While assisting with balance is a primary reason for rollator use, few studies have examined how the upper limbs are used for balance. This study examines upper limb contributions to balance control during rollator-assisted walking. We hypothesized that there would be an increased upper limb contribution, measured by mean vertical loading (Fz) and variation in frontal plane center-of-pressure (COPhigh), when walking balance is challenged/impaired. Experiment 1 compared straight-line and beam-walking in young adults (n = 11). As hypothesized, Fz and COPhighincreased in beam-walking compared to baseline (mean Fz: 13.7 vs. 9.1% body weight (BW), p < 0.001, RMS COPhigh: 1.35 vs. 1.07 cm, p < 0.001). Experiment 2 compared older adults who regularly use rollators (RU, n = 10) to older adult controls (CTL, n = 10). The predicted higher upper limb contribution in the RU group was not supported. However, when individuals were grouped by balance impairment, those with the lowest Berg Balance scores (< 45) demonstrated greater speed-adjusted COPhigh than those with higher scores (p = 0.013). Furthermore, greater COPhigh and Fz were correlated to greater reduction in step width, supporting the role of upper limb contributions to frontal plane balance. This work will guide studies assessing reliance on rollators by providing a basis for measurement of upper limb balance contributions.

The "balance of nature"-evolution of a Panchreston.

PubMed

Simberloff, Daniel

2014-10-01

The earliest concept of a balance of nature in Western thought saw it as being provided by gods but requiring human aid or encouragement for its maintenance. With the rise of Greek natural philosophy, emphasis shifted to traits gods endowed species with at the outset, rather than human actions, as key to maintaining the balance. The dominance of a constantly intervening God in the Middle Ages lessened interest in the inherent features of nature that would contribute to balance, but the Reformation led to renewed focus on such features, particularly traits of species that would maintain all of them but permit none to dominate nature. Darwin conceived of nature in balance, and his emphasis on competition and frequent tales of felicitous species interactions supported the idea of a balance of nature. But Darwin radically changed its underlying basis, from God to natural selection. Wallace was perhaps the first to challenge the very notion of a balance of nature as an undefined entity whose accuracy could not be tested. His skepticism was taken up again in the 20th century, culminating in a widespread rejection of the idea of a balance of nature by academic ecologists, who focus rather on a dynamic, often chaotic nature buffeted by constant disturbances. The balance-of-nature metaphor, however, lives on in large segments of the public, representing a fragile aspect of nature and biodiversity that it is our duty to protect.

Møller-Plesset perturbation energies and distances for HeC(20) extrapolated to the complete basis set limit.

PubMed

Varandas, A J C

2009-02-01

The potential energy surface for the C(20)-He interaction is extrapolated for three representative cuts to the complete basis set limit using second-order Møller-Plesset perturbation calculations with correlation consistent basis sets up to the doubly augmented variety. The results both with and without counterpoise correction show consistency with each other, supporting that extrapolation without such a correction provides a reliable scheme to elude the basis-set-superposition error. Converged attributes are obtained for the C(20)-He interaction, which are used to predict the fullerene dimer ones. Time requirements show that the method can be drastically more economical than the counterpoise procedure and even competitive with Kohn-Sham density functional theory for the title system.

Exact exchange-correlation potentials of singlet two-electron systems

NASA Astrophysics Data System (ADS)

Ryabinkin, Ilya G.; Ospadov, Egor; Staroverov, Viktor N.

2017-10-01

We suggest a non-iterative analytic method for constructing the exchange-correlation potential, v XC ( r ) , of any singlet ground-state two-electron system. The method is based on a convenient formula for v XC ( r ) in terms of quantities determined only by the system's electronic wave function, exact or approximate, and is essentially different from the Kohn-Sham inversion technique. When applied to Gaussian-basis-set wave functions, the method yields finite-basis-set approximations to the corresponding basis-set-limit v XC ( r ) , whereas the Kohn-Sham inversion produces physically inappropriate (oscillatory and divergent) potentials. The effectiveness of the procedure is demonstrated by computing accurate exchange-correlation potentials of several two-electron systems (helium isoelectronic series, H2, H3 + ) using common ab initio methods and Gaussian basis sets.

Development of flexible rotor balancing criteria

NASA Technical Reports Server (NTRS)

Walter, W. W.; Rieger, N. F.

1979-01-01

Several studies in which analytical procedures were used to obtain balancing criteria for flexible rotors are described. General response data for a uniform rotor in damped flexible supports were first obtained for plain cylindrical bearings, tilting pad bearings, axial groove bearings, and partial arc bearings. These data formed the basis for the flexible rotor balance criteria presented. A procedure by which a practical rotor in bearings could be reduced to an equivalent uniform rotor was developed and tested. It was found that the equivalent rotor response always exceeded to practical rotor response by more than sixty percent for the cases tested. The equivalent rotor procedure was then tested against six practical rotor configurations for which data was available. It was found that the equivalent rotor method offered a procedure by which balance criteria could be selected for practical flexible rotors, using the charts given for the uniform rotor.

Quantitation of calcium metabolism in postmenopausal osteoporosis and in scoliosis

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

Bronner, F.; Richelle, L. J.; Saville, P. D.

1963-06-01

By a combination of balance and isotope techniques, the following parameters of Ca metabolism were measured: pool size, rate of loss from pool, urinary excretion, fecal excretion, intake, endogenous fecal Ca, absorption, balance, bone formation, and bone resorption. The subjects were two normal women and five women with postmenopausal osteoporosis, aged 41 to 74 years, and four patients with scoliosis, aged 12 to 22 years. The latter were studied before, shortly after, and many months after immobilization in plaster casts. On the basis of observed relationships, it appeared that the negative Ca balance observed in the older women was duemore » to the low intensity of the various vectors of Ca metabolism, without clearcut distinction between the subjects with and without osteoporosis. Conversely, in the young patients with scoliosis, the negative balance incident to treatment by immobilization was associated with vectors of relatively high intensity whose relationships were altered temporarily.« less

The Tweeting Ice Shelf: geophysics and outreach

NASA Astrophysics Data System (ADS)

Van Liefferinge, Brice; Berger, Sophie; Drews, Reinhard; Pattyn, Frank

2015-04-01

Over the last decade the Antarctic and Greenland ice sheets have contributed about one third of the annual sea level rise (Hanna et al., 2013). However, it remains difficult to reconcile global mass balance estimates obtained from different satellite-based methods. A typical approach is to balance the mass input from atmospheric modelling with the outgoing mass flux at the ice-sheet boundary (Shepherd et al., 2012). The flux calculations at the boundary rely on satellite-derived surface velocities, which are currently only available as snapshots in time, and which need ground truth for validation. Here, we report on continuous, year-round measurements that aim at improving the input-output method in several aspects and carefully map the flow speed allowing for detecting seasonal variability. For this purpose, we set up in December 2014 three stand-alone single-frequency GPSes on the Roi Baudouin ice shelf (East Antarctica). The GPSes are installed across a surface depression (typical for large ice-shelf channels), where subglacial melting is expected. This setup allows us to investigate how these channels behave, i.e., if they become wider, whether or not they enhance the ice flow, and, in combination with an installed phase-sensitive radar, what amount of melting occurs below the channels in contact with the ocean. The GPS data are transmitted on a daily basis. Ice-shelf velocity is derived from the raw hourly location following the methods described in den Ouden et al. (2010), Dunse et al. (2012), and Ahlstrøm et al. (2013). However, a reference station has not been used for the correction. Basic processing involves outliers removal, smoothing, time-series analysis and comparison with tidal models. The project comes alongside an outreach event: on a weekly basis, the ice shelf 'tweets' its position, motion and relays other information with respect to the project. The GPS systems can be followed on Twitter via @TweetinIceShelf as well as the Tweeting Ice Shelf's blog (http://tweetiniceshelf.blogspot.com).

Blood donor selection in European Union directives: room for improvement

PubMed Central

de Kort, Wim; Mayr, Wolfgang; Jungbauer, Christof; Vuk, Tomislav; Kullaste, Riin; Seifried, Erhard; Grazzini, Giuliano; de Wit, Jeroen; Folléa, Gilles

2016-01-01

Background Transfusion-transmissible infections have made both blood bankers and health authorities overly cautious. The general public expects and hence reinforces this policy. To obtain a high level of blood product safety, blood and plasma donors have to meet increasingly stringent eligibility criteria; however, it is not known whether this policy translates into improved outcomes for patients. There is a risk that the management of donors does not match the ambition of greater safety for patients. European directives related to the collection process and donor selection will probably be reconsidered in the next few years. Material and methods The development of European directives on donor selection and their basis in the literature were reviewed with an emphasis on the background and considerations for eligibility criteria to be included in the directives. Results The precautionary principle appears to be the predominant reason behind the set of eligibility criteria. However, the formal eligibility criteria, put into force in 2004, do not balance with the developments of the past decade in laboratory tests and measures that have substantially reduced actual infection risks. In no cases were the effects of eligibility criteria on the donor pool and donor well-being quantified. Regional differences in the epidemiology of transfusion-transmissible infections were not taken into consideration either. Discussion First, the Authors promote the collection of epidemiological data on the incidence and prevalence of conditions in the general population and in blood and plasma donors which could pose a risk for transfused patients, in order to use these data as a basis for decision-making in donor-selection policies. Second, the Authors suggest including allowance for differential deferral criteria throughout Europe, based on factual risk levels. There should be an accepted balance between donor and patient welfare, and also between risk to transfusion safety and risk of compromising the blood supply. PMID:26509824

Assessing the impact of land use change on hydrology by ensemble modeling (LUCHEM). I: Model intercomparison with current land use

USGS Publications Warehouse

Breuer, L.; Huisman, J.A.; Willems, P.; Bormann, H.; Bronstert, A.; Croke, B.F.W.; Frede, H.-G.; Graff, T.; Hubrechts, L.; Jakeman, A.J.; Kite, G.; Lanini, J.; Leavesley, G.; Lettenmaier, D.P.; Lindstrom, G.; Seibert, J.; Sivapalan, M.; Viney, N.R.

2009-01-01

This paper introduces the project on 'Assessing the impact of land use change on hydrology by ensemble modeling (LUCHEM)' that aims at investigating the envelope of predictions on changes in hydrological fluxes due to land use change. As part of a series of four papers, this paper outlines the motivation and setup of LUCHEM, and presents a model intercomparison for the present-day simulation results. Such an intercomparison provides a valuable basis to investigate the effects of different model structures on model predictions and paves the ground for the analysis of the performance of multi-model ensembles and the reliability of the scenario predictions in companion papers. In this study, we applied a set of 10 lumped, semi-lumped and fully distributed hydrological models that have been previously used in land use change studies to the low mountainous Dill catchment, Germany. Substantial differences in model performance were observed with Nash-Sutcliffe efficiencies ranging from 0.53 to 0.92. Differences in model performance were attributed to (1) model input data, (2) model calibration and (3) the physical basis of the models. The models were applied with two sets of input data: an original and a homogenized data set. This homogenization of precipitation, temperature and leaf area index was performed to reduce the variation between the models. Homogenization improved the comparability of model simulations and resulted in a reduced average bias, although some variation in model data input remained. The effect of the physical differences between models on the long-term water balance was mainly attributed to differences in how models represent evapotranspiration. Semi-lumped and lumped conceptual models slightly outperformed the fully distributed and physically based models. This was attributed to the automatic model calibration typically used for this type of models. Overall, however, we conclude that there was no superior model if several measures of model performance are considered and that all models are suitable to participate in further multi-model ensemble set-ups and land use change scenario investigations. ?? 2008 Elsevier Ltd. All rights reserved.

Correlation consistent basis sets for actinides. I. The Th and U atoms.

PubMed

Peterson, Kirk A

2015-02-21

New correlation consistent basis sets based on both pseudopotential (PP) and all-electron Douglas-Kroll-Hess (DKH) Hamiltonians have been developed from double- to quadruple-zeta quality for the actinide atoms thorium and uranium. Sets for valence electron correlation (5f6s6p6d), cc - pV nZ - PP and cc - pV nZ - DK3, as well as outer-core correlation (valence + 5s5p5d), cc - pwCV nZ - PP and cc - pwCV nZ - DK3, are reported (n = D, T, Q). The -PP sets are constructed in conjunction with small-core, 60-electron PPs, while the -DK3 sets utilized the 3rd-order Douglas-Kroll-Hess scalar relativistic Hamiltonian. Both series of basis sets show systematic convergence towards the complete basis set limit, both at the Hartree-Fock and correlated levels of theory, making them amenable to standard basis set extrapolation techniques. To assess the utility of the new basis sets, extensive coupled cluster composite thermochemistry calculations of ThFn (n = 2 - 4), ThO2, and UFn (n = 4 - 6) have been carried out. After accurately accounting for valence and outer-core correlation, spin-orbit coupling, and even Lamb shift effects, the final 298 K atomization enthalpies of ThF4, ThF3, ThF2, and ThO2 are all within their experimental uncertainties. Bond dissociation energies of ThF4 and ThF3, as well as UF6 and UF5, were similarly accurate. The derived enthalpies of formation for these species also showed a very satisfactory agreement with experiment, demonstrating that the new basis sets allow for the use of accurate composite schemes just as in molecular systems composed only of lighter atoms. The differences between the PP and DK3 approaches were found to increase with the change in formal oxidation state on the actinide atom, approaching 5-6 kcal/mol for the atomization enthalpies of ThF4 and ThO2. The DKH3 atomization energy of ThO2 was calculated to be smaller than the DKH2 value by ∼1 kcal/mol.

The effect of low versus high approach-motivated positive affect on the balance between maintenance and flexibility.

PubMed

Liu, Liting; Xu, Baihua

2016-05-27

Successful goal-directed behavior in a constantly changing environment requires a balance between maintenance and flexibility. Although some studies have found that positive affect influences this balance differently than neutral affect, one recent study found that motivational intensity of positive affective states influences this balance in a cognitive set-shifting paradigm. However, working memory updating and set shifting are interrelated but distinct components of cognitive control. The present study examined the effect of low versus high approach-motivated positive affect on the balance between maintenance and flexibility in working memory. A simple cuing paradigm (the AX Continuous Performance Task) was employed, and neutral affect and high and low approach-motivated positive affect were induced using affective pictures. The results revealed that, relative to neutral affect, low approach-motivated positive affect attenuated maintenance and increased flexibility, whereas high approach-motivated positive affect promoted maintenance and decreased flexibility. These findings offer further evidence that the effects of positive affect on cognitive control are modulated by approach motivational intensity. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Understanding traffic dynamics at a backbone POP

NASA Astrophysics Data System (ADS)

Taft, Nina; Bhattacharyya, Supratik; Jetcheva, Jorjeta; Diot, Christophe

2001-07-01

Spatial and temporal information about traffic dynamics is central to the design of effective traffic engineering practices for IP backbones. In this paper we study backbone traffic dynamics using data collected at a major POP on a tier-1 IP backbone. We develop a methodology that combines packet-level traces from access links in the POP and BGP routing information to build components of POP-to-POP traffic matrices. Our results show that there is wide disparity in the volume of traffic headed towards different egress POPs. At the same time, we find that current routing practices in the backbone tend to constrain traffic between ingress-egress POP pairs to a small number of paths. As a result, there is a wide variation in the utilization level of links in the backbone. Frequent capacity upgrades of the heavily used links are expensive; the need for such upgrades can be reduced by designing load balancing policies that will route more traffic over less utilized links. We identify traffic aggregates based on destination address prefixes and find that this set of criteria isolates a few aggregates that account for an overwhelmingly large portion of inter-POP traffic. We also demonstrate that these aggregates exhibit stability throughout the day on per-hour time scales, and thus they form a natural basis for splitting traffic over multiple paths in order to improve load balancing.

Efficient Hierarchical Quorums in Unstructured Peer-to-Peer Networks

NASA Astrophysics Data System (ADS)

Henry, Kevin; Swanson, Colleen; Xie, Qi; Daudjee, Khuzaima

Managing updates in a peer-to-peer (P2P) network can be a challenging task, especially in the unstructured setting. If one peer reads or updates a data item, then it is desirable to read the most recent version or to have the update visible to all other peers. In practice, this should be accomplished by coordinating and writing to only a small number of peers. We propose two approaches, inspired by hierarchical quorums, to solve this problem in unstructured P2P networks. Our first proposal provides uniform load balancing, while the second sacrifices full load balancing for larger average quorum intersection, and hence greater tolerance to network churn. We demonstrate that applying a random logical tree structure to peers on a per-data item basis allows us to achieve near optimal quorum size, thus minimizing the number of peers that must be coordinated to perform a read or write operation. Unlike previous approaches, our random hierarchical quorums are always guaranteed to overlap at at least one peer when all peers are reachable and, as demonstrated through performance studies, prove to be more resilient to changing network conditions to maximize quorum intersection than previous approaches with a similar quorum size. Furthermore, our two quorum approaches are interchangeable within the same network, providing adaptivity by allowing one to be swapped for the other as network conditions change.

On the basis set convergence of electron–electron entanglement measures: helium-like systems

PubMed Central

Hofer, Thomas S.

2013-01-01

A systematic investigation of three different electron–electron entanglement measures, namely the von Neumann, the linear and the occupation number entropy at full configuration interaction level has been performed for the four helium-like systems hydride, helium, Li+ and Be2+ using a large number of different basis sets. The convergence behavior of the resulting energies and entropies revealed that the latter do in general not show the expected strictly monotonic increase upon increase of the one–electron basis. Overall, the three different entanglement measures show good agreement among each other, the largest deviations being observed for small basis sets. The data clearly demonstrates that it is important to consider the nature of the chemical system when investigating entanglement phenomena in the framework of Gaussian type basis sets: while in case of hydride the use of augmentation functions is crucial, the application of core functions greatly improves the accuracy in case of cationic systems such as Li+ and Be2+. In addition, numerical derivatives of the entanglement measures with respect to the nucleic charge have been determined, which proved to be a very sensitive probe of the convergence leading to qualitatively wrong results (i.e., the wrong sign) if too small basis sets are used. PMID:24790952

On the basis set convergence of electron-electron entanglement measures: helium-like systems.

PubMed

Hofer, Thomas S

2013-01-01

A systematic investigation of three different electron-electron entanglement measures, namely the von Neumann, the linear and the occupation number entropy at full configuration interaction level has been performed for the four helium-like systems hydride, helium, Li(+) and Be(2+) using a large number of different basis sets. The convergence behavior of the resulting energies and entropies revealed that the latter do in general not show the expected strictly monotonic increase upon increase of the one-electron basis. Overall, the three different entanglement measures show good agreement among each other, the largest deviations being observed for small basis sets. The data clearly demonstrates that it is important to consider the nature of the chemical system when investigating entanglement phenomena in the framework of Gaussian type basis sets: while in case of hydride the use of augmentation functions is crucial, the application of core functions greatly improves the accuracy in case of cationic systems such as Li(+) and Be(2+). In addition, numerical derivatives of the entanglement measures with respect to the nucleic charge have been determined, which proved to be a very sensitive probe of the convergence leading to qualitatively wrong results (i.e., the wrong sign) if too small basis sets are used.

Orbital-Dependent Density Functionals for Chemical Catalysis

DTIC Science & Technology

2014-10-17

noncollinear density functional theory to show that the low-spin state of Mn3 in a model of the oxygen -evolving complex of photosystem II avoids...DK, which denotes the cc-pV5Z-DK basis set for 3d metals and hydrogen and the ma-cc- pV5Z-DK basis set for oxygen ) and to nonrelativistic all...cc-pV5Z basis set for oxygen ). As compared to NCBS-DK results, all ECP calculations perform worse than def2-TZVP all-electron relativistic

Electric dipole moment of diatomic molecules by configuration interaction. IV.

NASA Technical Reports Server (NTRS)

Green, S.

1972-01-01

The theory of basis set dependence in configuration interaction calculations is discussed, taking into account a perturbation model which is valid for small changes in the self-consistent field orbitals. It is found that basis set corrections are essentially additive through first order. It is shown that an error found in a previously published dipole moment calculation by Green (1972) for the metastable first excited state of CO was indeed due to an inadequate basis set as claimed.

New Basis Functions for the Electromagnetic Solution of Arbitrarily-shaped, Three Dimensional Conducting Bodies Using Method of Moments

NASA Technical Reports Server (NTRS)

Mackenzie, Anne I.; Baginski, Michael E.; Rao, Sadasiva M.

2007-01-01

In this work, we present a new set of basis functions, de ned over a pair of planar triangular patches, for the solution of electromagnetic scattering and radiation problems associated with arbitrarily-shaped surfaces using the method of moments solution procedure. The basis functions are constant over the function subdomain and resemble pulse functions for one and two dimensional problems. Further, another set of basis functions, point-wise orthogonal to the first set, is also de ned over the same function space. The primary objective of developing these basis functions is to utilize them for the electromagnetic solution involving conducting, dielectric, and composite bodies. However, in the present work, only the conducting body solution is presented and compared with other data.

New Basis Functions for the Electromagnetic Solution of Arbitrarily-shaped, Three Dimensional Conducting Bodies using Method of Moments

NASA Technical Reports Server (NTRS)

Mackenzie, Anne I.; Baginski, Michael E.; Rao, Sadasiva M.

2008-01-01

In this work, we present a new set of basis functions, defined over a pair of planar triangular patches, for the solution of electromagnetic scattering and radiation problems associated with arbitrarily-shaped surfaces using the method of moments solution procedure. The basis functions are constant over the function subdomain and resemble pulse functions for one and two dimensional problems. Further, another set of basis functions, point-wise orthogonal to the first set, is also defined over the same function space. The primary objective of developing these basis functions is to utilize them for the electromagnetic solution involving conducting, dielectric, and composite bodies. However, in the present work, only the conducting body solution is presented and compared with other data.

The influence of tai chi and yoga on balance and falls in a residential care setting: A randomised controlled trial.

PubMed

Saravanakumar, Padmapriya; Higgins, Isabel Johanna; van der Riet, Pamela Jane; Marquez, Jodie; Sibbritt, David

2014-01-01

Abstract Falls amongst older people is a global public health concern. Whilst falling is not a typical feature of ageing, older people are more likely to fall. Fall injuries amongst older people are a leading cause of death and disability. Many older people do not do regular exercise so that they lose muscle tone, strength, and flexibility which affect balance and predispose them to falls. The management of falls in residential care settings is a major concern with strategies for prevention and monitoring a focus in this setting. Yoga and tai chi have shown potential to improve balance and prevent falls in older adults. They also have potential to improve pain and quality of life. The aim of this study was to determine the feasibility of conducting a three-arm randomised controlled trial (RCT) with frail older people in a residential care setting to test the hypothesis that a 14-week modified tai chi or yoga programme is more effective than usual care activity in improving balance function, quality of life, pain experience and in reducing number of falls. There were no statistically significant differences between the three groups in the occurrence of falls. Yoga demonstrated a slight decrease in fall incidence; quality of life improved for the tai chi group. Only the yoga group experienced a reduction in average pain scores though not statistically significant. The findings of the study suggest it is possible to safely implement modified yoga and tai chi in a residential care setting and evaluate this using RCT design. They show positive changes to balance, pain and quality of life and a high level of interest through attendance amongst the older participants. The results support offering tai chi and yoga to older people who are frail and dependent with physical and cognitive limitations.

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.

A preliminary assessment of the spatial sources of contemporary suspended sediment in the Ohio River basin, United States, using water quality data from the NASQAN programme in a source tracing procedure

USGS Publications Warehouse

Zhang, Y.-S.; Collins, A.L.; Horowitz, A.J.

2012-01-01

Reliable information on catchment scale suspended sediment sources is required to inform the design of management strategies for helping abate the numerous environmental issues associated with enhanced sediment mobilization and off-site loadings. Since sediment fingerprinting techniques avoid many of the logistical constraints associated with using more traditional indirect measurement methods at catchment scale, such approaches have been increasingly reported in the international literature and typically use data sets collected specifically for sediment source apportionment purposes. There remains scope for investigating the potential for using geochemical data sets assembled by routine monitoring programmes to fingerprint sediment provenance. In the United States, routine water quality samples are collected as part of the US Geological Survey's revised National Stream Quality Accounting Network programme. Accordingly, the geochemistry data generated from these samples over a 10-year period (1996-2006) were used as the basis for a fingerprinting exercise to assess the key tributary sub-catchment spatial sources of contemporary suspended sediment transported by the Ohio River. Uncertainty associated with the spatial source estimates was quantified using a Monte Carlo approach in conjunction with mass balance modelling. Relative frequency weighted means were used as an alternative way of summarizing the spatial source contributions, thereby avoiding the need to use confidence limits. The results should be interpreted in the context of the routine, but infrequent nature, of the suspended sediment samples used to assemble geochemistry as a basis for the sourcing exercise. Nonetheless, the study demonstrates how routine monitoring samples can be used to provide some preliminary information on sediment provenance in large drainage basins. ?? 2011 John Wiley & Sons, Ltd.

13 CFR 120.972 - Third Party Lender participation fee and CDC fee.

Code of Federal Regulations, 2010 CFR

2010-01-01

... collect a one-time fee equal to 50 basis points on the Third Party Lender's participation in a Project....125 percent of the outstanding principal balance of the Debenture. The fee must be paid from the...

An Integrated Fuselage-Sting Balance for a Sonic-Boom Wind-Tunnel Model

NASA Technical Reports Server (NTRS)

Mack, Robert J.

2004-01-01

Measured and predicted pressure signatures from a lifting wind-tunnel model can be compared when the lift on the model is accurately known. The model's lift can be set by bending the support sting to a desired angle of attack. This method is simple in practice, but difficult to accurately apply. A second method is to build a normal force/pitching moment balance into the aft end of the sting, and use an angle-of-attack mechanism to set model attitude. In this report, a method for designing a sting/balance into the aft fuselage/sting of a sonic-boom model is described. A computer code is given, and a sample sting design is outlined to demonstrate the method.

Alphabet Soup: Sagittal Balance Correction Osteotomies of the Spine-What Radiologists Should Know.

PubMed

Takahashi, T; Kainth, D; Marette, S; Polly, D

2018-04-01

Global sagittal malalignment has been demonstrated to have correlation with clinical symptoms and is a key component to be restored in adult spinal deformity. In this article, various types of sagittal balance-correction osteotomies are reviewed primarily on the basis of the 3 most commonly used procedures: Smith-Petersen osteotomy, pedicle subtraction osteotomy, and vertebral column resection. Familiarity with the expected imaging appearance and commonly encountered complications seen on postoperative imaging studies following correction osteotomies is crucial for accurate image interpretation. © 2018 by American Journal of Neuroradiology.

[Protein turnover during and after extended space flight

NASA Technical Reports Server (NTRS)

Stein, T. P.; Larina, I. M.; Leskiv, M. J.; Schluter, M. D.

2000-01-01

A 15N-glycine tracer technique was used to study protein turnover in four Russian cosmonauts and two U.S. astronauts who had spent long time aboard the Russian orbital station MIR. As was shown, in space flight protein synthesis falls by 46% on the average, which substantially exceeds estimations made on the basis of data about bed-rested human subjects. Reduction in protein synthesis during space flight is connected with the negative energy balance; therefore, it appears imperative to keep balance between energy intake (foodstuffs) and expenditure by cosmonauts on long-term mission.

Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc-Zn

NASA Astrophysics Data System (ADS)

Balabanov, Nikolai B.; Peterson, Kirk A.

2005-08-01

Sequences of basis sets that systematically converge towards the complete basis set (CBS) limit have been developed for the first-row transition metal elements Sc-Zn. Two families of basis sets, nonrelativistic and Douglas-Kroll-Hess (-DK) relativistic, are presented that range in quality from triple-ζ to quintuple-ζ. Separate sets are developed for the description of valence (3d4s) electron correlation (cc-pVnZ and cc-pVnZ-DK; n =T,Q, 5) and valence plus outer-core (3s3p3d4s) correlation (cc-pwCVnZ and cc-pwCVnZ-DK; n =T,Q, 5), as well as these sets augmented by additional diffuse functions for the description of negative ions and weak interactions (aug-cc-pVnZ and aug-cc-pVnZ-DK). Extensive benchmark calculations at the coupled cluster level of theory are presented for atomic excitation energies, ionization potentials, and electron affinities, as well as molecular calculations on selected hydrides (TiH, MnH, CuH) and other diatomics (TiF, Cu2). In addition to observing systematic convergence towards the CBS limits, both 3s3p electron correlation and scalar relativity are calculated to strongly impact many of the atomic and molecular properties investigated for these first-row transition metal species.

Feasibility of early functional rehabilitation in acute stroke survivors using the Balance-Bed—a technology that emulates microgravity

PubMed Central

Oddsson, Lars I. E.; Finkelstein, Marsha J.; Meissner, Sarah

2015-01-01

Evidence-based guidelines recommend early functional rehabilitation of stroke patients when risk of patient harm can be managed. Current tools do not allow balance training under load conditions sufficiently low for acute stroke patients. This single-arm pilot study tested feasibility and safety for acute stroke survivors to use “Balance-Bed”, a technology for balance exercises in supine initially developed to emulate microgravity effects on balance. Nine acute stroke patients (50–79 years) participated in 3–10 sessions over 16–46 days as part of their rehabilitation in a hospital inpatient setting. Standard inpatient measures of outcome were monitored where lack of progress from admission to discharge might indicate possible harm. Total FIM scores at admission (median 40, range 22–53) changed to (74, 50–96), Motor FIM scores from (23, 13–32) to (50, 32–68) and Berg Balance scores from (3, 0–6) to (19, 7–43) at discharge. Changes reached Minimal Clinical Important Difference for a sufficient proportion (>0.6) of the patients to indicate no harm to the patients. In addition, therapists reported the technology was safe, provided a positive experience for the patient and fit within the rehabilitation program. They reported the device should be easier to set up and exit. We conclude acute stroke patients tolerated Balance-Bed exercises such as standing on one or two legs, squats, stepping in place as well as balance perturbations provided by the therapist. We believe this is the first time it has been demonstrated that acute stroke patients can safely perform whole body balance training including balance perturbations as part of their rehabilitation program. Future studies should include a control group and compare outcomes from best practices to interventions using the Balance-Bed. In addition, the technology is relevant for countermeasure development for spaceflight and as a test-bed of balance function under microgravity-like conditions. PMID:26074789

Tactical Network Load Balancing in Multi-Gateway Wireless Sensor Networks

DTIC Science & Technology

2013-12-01

writeup scrsz = get( 0 ,’ScreenSize’); %Creation of the random Sensor Network fig = figure(1); set(fig, ’Position’,[1 scrsz( 4 )*.25 scrsz(3)*.7...thesis writeup scrsz = get( 0 ,’ScreenSize’); %Creation of the random Sensor Network fig = figure(1); set(fig, ’Position’,[1 scrsz( 4 )*.25 scrsz(3)*.7...TYPE AND DATES COVERED Master’s Thesis 4 . TITLE AND SUBTITLE TACTICAL NETWORK LOAD BALANCING IN MULTI-GATEWAY WIRELESS SENSOR NETWORKS 5

Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements

NASA Astrophysics Data System (ADS)

Hill, J. Grant; Peterson, Kirk A.

2017-12-01

New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

The influence of the microscope lamp filament colour temperature on the process of digital images of histological slides acquisition standardization.

PubMed

Korzynska, Anna; Roszkowiak, Lukasz; Pijanowska, Dorota; Kozlowski, Wojciech; Markiewicz, Tomasz

2014-01-01

The aim of this study is to compare the digital images of the tissue biopsy captured with optical microscope using bright field technique under various light conditions. The range of colour's variation in immunohistochemically stained with 3,3'-Diaminobenzidine and Haematoxylin tissue samples is immense and coming from various sources. One of them is inadequate setting of camera's white balance to microscope's light colour temperature. Although this type of error can be easily handled during the stage of image acquisition, it can be eliminated with use of colour adjustment algorithms. The examination of the dependence of colour variation from microscope's light temperature and settings of the camera is done as an introductory research to the process of automatic colour standardization. Six fields of view with empty space among the tissue samples have been selected for analysis. Each field of view has been acquired 225 times with various microscope light temperature and camera white balance settings. The fourteen randomly chosen images have been corrected and compared, with the reference image, by the following methods: Mean Square Error, Structural SIMilarity and visual assessment of viewer. For two types of backgrounds and two types of objects, the statistical image descriptors: range, median, mean and its standard deviation of chromaticity on a and b channels from CIELab colour space, and luminance L, and local colour variability for objects' specific area have been calculated. The results have been averaged for 6 images acquired in the same light conditions and camera settings for each sample. The analysis of the results leads to the following conclusions: (1) the images collected with white balance setting adjusted to light colour temperature clusters in certain area of chromatic space, (2) the process of white balance correction for images collected with white balance camera settings not matched to the light temperature moves image descriptors into proper chromatic space but simultaneously the value of luminance changes. So the process of the image unification in a sense of colour fidelity can be solved in separate introductory stage before the automatic image analysis.

Ab initio calculation of reaction energies. III. Basis set dependence of relative energies on the FH2 and H2CO potential energy surfaces

NASA Astrophysics Data System (ADS)

Frisch, Michael J.; Binkley, J. Stephen; Schaefer, Henry F., III

1984-08-01

The relative energies of the stationary points on the FH2 and H2CO nuclear potential energy surfaces relevant to the hydrogen atom abstraction, H2 elimination and 1,2-hydrogen shift reactions have been examined using fourth-order Møller-Plesset perturbation theory and a variety of basis sets. The theoretical absolute zero activation energy for the F+H2→FH+H reaction is in better agreement with experiment than previous theoretical studies, and part of the disagreement between earlier theoretical calculations and experiment is found to result from the use of assumed rather than calculated zero-point vibrational energies. The fourth-order reaction energy for the elimination of hydrogen from formaldehyde is within 2 kcal mol-1 of the experimental value using the largest basis set considered. The qualitative features of the H2CO surface are unchanged by expansion of the basis set beyond the polarized triple-zeta level, but diffuse functions and several sets of polarization functions are found to be necessary for quantitative accuracy in predicted reaction and activation energies. Basis sets and levels of perturbation theory which represent good compromises between computational efficiency and accuracy are recommended.

Digital dental photography. Part 6: camera settings.

PubMed

Ahmad, I

2009-07-25

Once the appropriate camera and equipment have been purchased, the next considerations involve setting up and calibrating the equipment. This article provides details regarding depth of field, exposure, colour spaces and white balance calibration, concluding with a synopsis of camera settings for a standard dental set-up.

Calculations of molecular multipole electric moments of a series of exo-insaturated four-membered heterocycles, Y = CCH2CH2X

NASA Astrophysics Data System (ADS)

Romero, Angel H.

2017-10-01

The influence of ring puckering angle on the multipole moments of sixteen four-membered heterocycles (1-16) was theoretically estimated using MP2 and different DFTs in combination with the 6-31+G(d,p) basis set. To obtain an accurate evaluation, CCSD/cc-pVDZ level and, the MP2 and PBE1PBE methods in combination with the aug-cc-pVDZ and aug-cc-pVTZ basis sets were performed on the planar geometries of 1-16. In general, the DFT and MP2 approaches provided an identical dependence of the electrical properties with the puckering angle for 1-16. Quantitatively, the quality of the level of theory and basis sets affects significant the predictions of the multipole moments, in particular for the heterocycles containing C=O and C=S bonds. Convergence basis sets within the MP2 and PBE1PBE approximations are reached in the dipole moment calculations when the aug-cc-pVTZ basis set is used, while the quadrupole and octupole moment computations require a larger basis set than aug-cc-pVTZ. On the other hand, the multipole moments showed a strong dependence with the molecular geometry and the nature of the carbon-heteroatom bonds. Specifically, the C-X bond determines the behavior of the μ(ϕ), θ(ϕ) and Ώ(ϕ) functions, while the C=Y bond plays an important role in the magnitude of the studied properties.

Motherhood and Work–Life Balance in the National Collegiate Athletic Association Division I Setting: Mentors and the Female Athletic Trainer

PubMed Central

Eason, Christianne M.; Mazerolle, Stephanie M.; Goodman, Ashley

2014-01-01

Context: One of the greatest catalysts for turnover among female athletic trainers (ATs) is motherhood, especially if employed at the National Collegiate Athletic Association Division I level. The medical education literature regularly identifies the importance of role models in professional character formation. However, few researchers have examined the responsibility of mentorship and professional role models as it relates to female ATs' perceptions of motherhood and retention. Objective: To evaluate perceptions of motherhood and retention in relation to mentorship and role models among female ATs currently employed in the collegiate setting. Design: Qualitative study. Setting: Female athletic trainers working in National Collegiate Athletic Association Division I. Patients or Other Participants: Twenty-seven female ATs employed in the National Collegiate Athletic Association Division I setting volunteered. Average age of the participants was 35 ± 9 years. All were full-time ATs with an average of 11 ± 8 years of clinical experience. Data Collection and Analysis: Participants responded to questions by journaling their thoughts and experiences. Multiple-analyst triangulation and peer review were included as steps to establish data credibility. Results: Male and female role models and mentors can positively or negatively influence the career and work–life balance perceptions of female ATs working in the Division I setting. Female ATs have a desire to see more women in the profession handle the demands of motherhood and the demands of their clinical setting. Women who have had female mentors are more positive about the prospect of balancing the rigors of motherhood and job demands. Conclusions: Role models and mentors are valuable resources for promoting perseverance in the profession in the highly demanding clinical settings. As more female ATs remain in the profession who are able to maintain work–life balance and are available to serve as role models, the attitudes of other women may start to change. PMID:24972042

Work-life balance in an industrial setting. Focus on advocacy.

PubMed

Dow-Clarke, R Anne

2002-02-01

1. Employers have a role in assisting workers to manage conflicting priorities of work and family. 2. Management support and sensitivity to family and home life responsibilities and flexible application of policies are believed to be key factors in promoting work-life balance in the workplace. 3. Occupational health nurses have a role in advocating for revised company policies to assist employees to achieve and maintain a work-life balance. The information provided in this article can be used to guide future evaluation for the reduction of barriers to employee work-life balance.

Postural set for balance control is normal in Alzheimer's but not in Parkinson's disease.

PubMed

Chong, R K; Jones, C L; Horak, F B

1999-03-01

It has been suggested that patients with dementia of the Alzheimer type have abnormalities in the basal ganglia, and thus, may have similar sensorimotor problems as patients with basal ganglia degeneration from Parkinson's disease. Whether the similarity extends to balance control is unknown. One distinguishing feature of balance disorder in Parkinson's disease is difficulty with changing postural set in terms of adapting the amplitude of leg muscle activity as a function of support condition. We, therefore, tested whether patients with Alzheimer's disease without extrapyramidal signs would show a similar problem in changing postural set as patients with Parkinson's disease. The ability to quickly change postural set was measured by comparing leg muscle activity under two conditions of support (free stance, versus grasping a frame, or sitting) during backward surface translations, during toes up surface rotations, and during voluntary rise to toes. Results were compared among 12 healthy adults, 8 nondemented Parkinson's patients on their usual dose of medication, and 11 Alzheimer patients without extrapyramidal signs. Subjects with Alzheimer's, but not Parkinson's, disease performed similarly to the healthy control subjects. They changed postural set immediately, by suppressing leg muscle activity to low levels when supported. Parkinson subjects did not change postural set immediately. They did not suppress the tibialis anterior in voluntary rise to toes when holding, nor the soleus in perturbed sitting as much as the healthy control and Alzheimer subjects in the first trial. Instead, the Parkinson subjects changed set more slowly, over repeated and consecutive trials in both protocols. The onset latencies of soleus responses to backward surface translations and perturbed sitting, as well as tibialis anterior responses to toes up rotations, were the same for all three groups. Alzheimer patients without extrapyramidal signs, unlike nondemented Parkinson's disease patients, have no difficulty in quickly changing postural set in response to altered support conditions. Our results, therefore, do not support the hypothesis that Parkinson's and uncomplicated Alzheimer's diseases share common postural set problems that may contribute to disordered balance control.

The Temptations of Corporate Funding

ERIC Educational Resources Information Center

Krimsky, Sheldon

2004-01-01

Scientific researchers on campus increasingly worry that commercial sponsorship skews conclusions and restricts data sharing. Boards can help balance conflicting interests. This article discusses how boards of trustees and all leaders at universities and nonprofit research institutes can set the balance in accepting privately funded research…

Designing and implementing a balanced scorecard: lessons learned in nonprofit implementation.

PubMed

Gumbus, Andra; Wilson, Tom

2004-01-01

The balanced scorecard has been referred to as the management innovation of the century, and extensive articles have been written using case studies of organizations that use this performance measurement system. This article addresses the key issues of design and implementation with a step-by-step guide to how to design a balanced scorecard and lessons to avoid implementation problems in government and nonprofit settings.

Inference on the Strength of Balancing Selection for Epistatically Interacting Loci

PubMed Central

Buzbas, Erkan Ozge; Joyce, Paul; Rosenberg, Noah A.

2011-01-01

Existing inference methods for estimating the strength of balancing selection in multi-locus genotypes rely on the assumption that there are no epistatic interactions between loci. Complex systems in which balancing selection is prevalent, such as sets of human immune system genes, are known to contain components that interact epistatically. Therefore, current methods may not produce reliable inference on the strength of selection at these loci. In this paper, we address this problem by presenting statistical methods that can account for epistatic interactions in making inference about balancing selection. A theoretical result due to Fearnhead (2006) is used to build a multi-locus Wright-Fisher model of balancing selection, allowing for epistatic interactions among loci. Antagonistic and synergistic types of interactions are examined. The joint posterior distribution of the selection and mutation parameters is sampled by Markov chain Monte Carlo methods, and the plausibility of models is assessed via Bayes factors. As a component of the inference process, an algorithm to generate multi-locus allele frequencies under balancing selection models with epistasis is also presented. Recent evidence on interactions among a set of human immune system genes is introduced as a motivating biological system for the epistatic model, and data on these genes are used to demonstrate the methods. PMID:21277883

Achieving work-life balance in the National Collegiate Athletic Association Division I setting, part I: the role of the head athletic trainer.

PubMed

Mazerolle, Stephanie M; Goodman, Ashley; Pitney, William A

2015-01-01

Supervisor support has been identified as key to the fulfillment of work-life balance for the athletic trainer (AT), yet limited literature exists on the perspectives of supervisors. To investigate how the head AT facilitates work-life balance among staff members within the National Collegiate Athletic Association Division I setting. Qualitative study. Web-based management system. A total of 18 head ATs (13 men, 5 women; age = 44 ± 8 years, athletic training experience = 22 ± 7 years) volunteered for an asynchronous, Web-based interview. Participants responded to a series of questions by journaling their thoughts and experiences. We included multiple-analyst triangulation, stakeholder checks, and peer review to establish data credibility. We analyzed the data via a general inductive approach. Four prevailing themes emerged from the data: modeling work-life balance, encouraging disengagement from the AT role, cooperation and community workplace, and administrative support and understanding. Head ATs at the Division I level recognized the need to promote work-life balance among their staffs. They not only were supportive of policies that promote work-life balance, including spending time away from the role of the AT and teamwork among staff members, but also modeled and practiced the strategies that they promoted.

Straightening the Hierarchical Staircase for Basis Set Extrapolations: A Low-Cost Approach to High-Accuracy Computational Chemistry

NASA Astrophysics Data System (ADS)

Varandas, António J. C.

2018-04-01

Because the one-electron basis set limit is difficult to reach in correlated post-Hartree-Fock ab initio calculations, the low-cost route of using methods that extrapolate to the estimated basis set limit attracts immediate interest. The situation is somewhat more satisfactory at the Hartree-Fock level because numerical calculation of the energy is often affordable at nearly converged basis set levels. Still, extrapolation schemes for the Hartree-Fock energy are addressed here, although the focus is on the more slowly convergent and computationally demanding correlation energy. Because they are frequently based on the gold-standard coupled-cluster theory with single, double, and perturbative triple excitations [CCSD(T)], correlated calculations are often affordable only with the smallest basis sets, and hence single-level extrapolations from one raw energy could attain maximum usefulness. This possibility is examined. Whenever possible, this review uses raw data from second-order Møller-Plesset perturbation theory, as well as CCSD, CCSD(T), and multireference configuration interaction methods. Inescapably, the emphasis is on work done by the author's research group. Certain issues in need of further research or review are pinpointed.

Comparison of dynamic balance ability in healthy university students according to foot shape.

PubMed

Hyong, In Hyouk; Kang, Jong Ho

2016-01-01

[Purpose] This study aimed to compare dynamic balance ability according to foot shape, defined as normal, pronated, or supinated on the basis of the height of the medial arch. [Subjects] In this study, 14 subjects for the pronated foot group, 14 for the supinated foot group, and 14 for the normal foot group were selected from among 162 healthy university students by using the navicular drop test proposed by Brody. To measure dynamic balance ability, a star excursion balance test (SEBT) was conducted for each group, in which a cross-shaped line and lines at 45° in eight directions were drawn on the floor. In this study, only three directions were used, namely anterior, posterolateral, and posteromedial. The mean of the SEBT was calculated by measuring three times for each group, and the values were standardized using the following equation: measured value/leg length × 100. [Results] No significant differences in dynamic balance ability were found between the normal, pronated, and supinated foot groups. [Conclusion] No significant differences in dynamic balance ability according to the foot shape were found among the healthy university students with normal, pronated, and supinated feet.

The influence of commercial-grade carpet on postural sway and balance strategy among older adults.

PubMed

Dickinson, Joan I; Shroyer, JoAnn L; Elias, Jeffrey W

2002-08-01

The purpose of this research study was to examine the effect of a selected commercial-grade carpet on the static balance of healthy, older adults who had not fallen more than twice in the last 6 months. We tested a total of 45 participants. Each participant stood on a computerized balance machine and was subjected to a carpeted versus a noncarpeted condition while exposed to various sensory limitations. We measured both postural sway and balance strategy. The selected commercial-grade carpet did not affect postural sway. The participants were able to adapt to the sensory limitations regardless of whether they were standing on the carpet. Although balance strategy scores were significantly lower during the carpeted conditions, the clinical significance was questionable as the difference between the means was small for practical purposes. Healthy, older adults did not have difficulty maintaining static balance on the carpeted surface; however, the results could be different if participants who had a history of falling had been included. The results from this study are important and provide a basis of comparison for those individuals who have experienced more than two falls in the last 6 months or who have a history of falling.

Monitoring the variations of the oxygen transfer rate in a full scale membrane bioreactor using daily mass balances.

PubMed

Racault, Y; Stricker, A-E; Husson, A; Gillot, S

2011-01-01

Oxygen transfer in biological wastewater treatment processes with high sludge concentration, such as membrane bioreactor (MBR), is an important issue. The variation of alpha-factor versus mixed liquor suspended solids (MLSS) concentration was investigated in a full scale MBR plant under process conditions, using mass balances. Exhaustive data from the Supervisory Control And Data Acquisition (SCADA) and from additional online sensors (COD, DO, MLSS) were used to calculate the daily oxygen consumption (OC) using a non-steady state mass balance for COD and total N on a 24-h basis. To close the oxygen balance, OC has to match the total oxygen transfer rate (OTRtot) of the system, which is provided by fine bubble (FB) diffusers in the aeration tank and coarse bubbles (CB) in separate membrane tanks. First assessing OTR(CB) then closing the balance OC = OTRtot allowed to calculate OTR(FB) and to fit an exponential relationship between OTR(FB) and MLSS. A comparison of the alpha-factor obtained by this balance method and by direct measurements with the off-gas method on the same plant is presented and discussed.

Clinical balance assessment: perceptions of commonly-used standardized measures and current practices among physiotherapists in Ontario, Canada.

PubMed

Sibley, Kathryn M; Straus, Sharon E; Inness, Elizabeth L; Salbach, Nancy M; Jaglal, Susan B

2013-03-20

Balance impairment is common in multiple clinical populations, and comprehensive assessment is important for identifying impairments, planning individualized treatment programs, and evaluating change over time. However, little information is available regarding whether clinicians who treat balance are satisfied with existing assessment tools. In 2010 we conducted a cross-sectional survey of balance assessment practices among physiotherapists in Ontario, Canada, and reported on the use of standardized balance measures (Sibley et al. 2011 Physical Therapy; 91: 1583-91). The purpose of this study was to analyse additional survey data and i) evaluate satisfaction with current balance assessment practices and standardized measures among physiotherapists who treat adult or geriatric populations with balance impairment, and ii) identify factors associated with satisfaction. The questionnaire was distributed to 1000 practicing physiotherapists. This analysis focuses on questions in which respondents were asked to rate their general perceptions about balance assessment, the perceived utility of individual standardized balance measures, whether they wanted to improve balance assessment practices, and why. Data were summarized with descriptive statistics and utility of individual measures was compared across clinical practice areas (orthopaedic, neurological, geriatric or general rehabilitation). The questionnaire was completed by 369 respondents, of which 43.4% of respondents agreed that existing standardized measures of balance meet their needs. In ratings of individual measures, the Single Leg Stance test and Berg Balance Scale were perceived as useful for clinical decision-making and evaluating change over time by over 70% of respondents, and the Timed Up-and-Go test was perceived as useful for decision-making by 56.9% of respondents and useful for evaluating change over time by 62.9% of respondents, but there were significant differences across practice groups. Seventy-nine percent of respondents wanted to improve their assessments, identifying individual, environmental and measure-specific barriers. The most common barriers were lack of time and knowledge. This study offers new information on issues affecting the evaluation of balance in clinical settings from a broad sample of physiotherapists. Continued work to address barriers by specific practice area will be critical for the success of any intervention attempting to implement optimal balance assessment practices in the clinical setting.

45 CFR 1303.2 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-10-01

... AND HUMAN SERVICES THE ADMINISTRATION FOR CHILDREN, YOUTH AND FAMILIES, HEAD START PROGRAM APPEAL... Administration on Children, Youth and Families in the Department of Health and Human Services, and includes... basis of the grantee's or delegate agency's underestimate of the unobligated balance in a prior period...

Quality of Life. Interpretive Series No. 8.

ERIC Educational Resources Information Center

Senesh, Lawrence

Two government documents, "Goals for Americans" and "Toward Balanced Growth: Quantity with Quality" (ED 055 009), together with previous documents, serve as the information source and basis of this guide. The "Goals for Americans" report, initiated by President Eisenhower's Commission in 1960, identified social…

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

The Organizational Climate in Collegiate Athletics: An Athletic Trainer's Perspective.

PubMed

Mazerolle, Stephanie M; Eason, Christianne M

2018-01-01

  An organizational climate is largely based on an employee's perceptions of the working conditions in which he or she engages regularly. A multifaceted concept, the organizational climate is often formed by perceptions of employee welfare, rewards, and support. Achieving work-life balance is also a part of the climate.   To learn collegiate athletic trainers' perceptions of organizational climate and specifically how it may pertain to their work-life balance.   Phenomenologic study.   Collegiate practice setting.   Thirty athletic trainers working in the collegiate athletics setting took part in 1-on-1 phone interviews. The participants were 30.5 (interquartile range [IQR] = 7.75) years old and had been certified for 7 (IQR = 5) years and at their current position for 4 (IQR = 3) years.   Participants completed a phone interview that followed a semistructured framework. All transcribed interviews were analyzed using a phenomenologic approach. Researcher triangulation, expert review, and data saturation were used to establish credibility.   Athletic trainers working in the collegiate athletics setting who had positive perceptions of their work-life balance described their organizational climate as family friendly. Our participants' supervisors allowed for autonomy related to work scheduling, which provided opportunities for work-life balance. These athletic trainers believed that they worked in a climate that was collegial, which was helpful for work-life balance. In addition, the importance of placing family first was part of the climate.   The perceptions of our participants revealed a climate of family friendliness, supervisor support, and collegiality among staff members, which facilitated the positive climate for work-life balance. The mindset embraced the importance of family and recognized that work did not always have to supersede personal priorities.

Assessing Strategies to Manage Work and Life Balance of Athletic Trainers Working in the National Collegiate Athletic Association Division I Setting

PubMed Central

Mazerolle, Stephanie M.; Pitney, William A.; Casa, Douglas J.; Pagnotta, Kelly D.

2011-01-01

Abstract Context: Certified athletic trainers (ATs) working at the National Collegiate Athletic Association Division I level experience challenges balancing their professional and personal lives. However, an understanding of the strategies ATs use to promote a balance between their professional and personal lives is lacking. Objective: To identify the strategies ATs employed in the Division I setting use to establish a balance between their professional and personal lives. Design: Qualitative investigation using inductive content analysis. Setting: Athletic trainers employed at Division I schools from 5 National Athletic Trainers' Association districts. Patients or Other Participants: A total of 28 (15 women, 13 men) ATs aged 35 ± 9 years volunteered for the study. Data Collection and Analysis: Asynchronous electronic interviews with follow-up phone interviews. Data were analyzed using inductive content analysis. Peer review, member checking, and data-source triangulation were conducted to establish trustworthiness. Results: Three higher-order themes emerged from the analysis. The initial theme, antecedents of work–family conflict, focused on the demands of the profession, flexibility of work schedules, and staffing patterns as contributing to work–life conflict for this group of ATs. The other 2 emergent higher-order themes, professional factors and personal factors, describe the components of a balanced lifestyle. The second-order theme of constructing the professional factors included both organizational policies and individual strategies, whereas the second-order theme of personal factors was separation of work and life and a supportive personal network. Conclusions: Long work hours, lack of control over work schedules, and unbalanced athlete-to-AT ratios can facilitate conflicts. However, as demonstrated by our results, several organizational and personal strategies can be helpful in creating a balanced lifestyle. PMID:21391805

Fulfillment of Work-Life Balance From the Organizational Perspective: A Case Study.

PubMed

Mazerolle, Stephanie M; Goodman, Ashley

2013-04-18

  Researchers studying work-life balance have examined policy development and implementation to create a family-friendly work environment from an individualistic perspective rather than from a cohort of employees working under the same supervisor.   To investigate what factors influence work-life balance within the National Collegiate Athletic Association (NCAA) Division I clinical setting from the perspective of an athletic training staff.   Qualitative study.   Web-based management system.   Eight athletic trainers (5 men, 3 women; age = 38 ± 7 years) in the NCAA Division I setting.   Participants responded to a series of questions by journaling their thoughts and experiences. We included data-source triangulation, multiple analyst triangulation, and peer review to establish data credibility. We analyzed the data via a grounded theory approach.   Three themes emerged from the data. Family-oriented and supportive work environment was described as a workplace that fosters and encourages work-life balance through professionally and personally shared goals. Nonwork outlets included activities, such as exercise and personal hobbies, that provide time away from the role of the athletic trainer. Individualistic strategies reflected that although the athletic training staff must work together and support one another, each staff member must have his or her own personal strategies to manage personal and professional responsibilities.   The foundation for a successful work environment in the NCAA Division I clinical setting potentially can center on the management style of the supervisor, especially one who promotes teamwork among his or her staff members. Although a family-friendly work environment is necessary for work-life balance, each member of the athletic training staff must have personal strategies in place to fully achieve a balance.

Fulfillment of work-life balance from the organizational perspective: a case study.

PubMed

Mazerolle, Stephanie M; Goodman, Ashley

2013-01-01

Researchers studying work-life balance have examined policy development and implementation to create a family-friendly work environment from an individualistic perspective rather than from a cohort of employees working under the same supervisor. To investigate what factors influence work-life balance within the National Collegiate Athletic Association (NCAA) Division I clinical setting from the perspective of an athletic training staff. Qualitative study. Web-based management system. Eight athletic trainers (5 men, 3 women; age = 38 ± 7 years) in the NCAA Division I setting. Participants responded to a series of questions by journaling their thoughts and experiences. We included data-source triangulation, multiple-analyst triangulation, and peer review to establish data credibility. We analyzed the data via a grounded theory approach. Three themes emerged from the data. Family-oriented and supportive work environment was described as a workplace that fosters and encourages work-life balance through professionally and personally shared goals. Nonwork outlets included activities, such as exercise and personal hobbies, that provide time away from the role of the athletic trainer. Individualistic strategies reflected that although the athletic training staff must work together and support one another, each staff member must have his or her own personal strategies to manage personal and professional responsibilities. The foundation for a successful work environment in the NCAA Division I clinical setting potentially can center on the management style of the supervisor, especially one who promotes teamwork among his or her staff members. Although a family-friendly work environment is necessary for work-life balance, each member of the athletic training staff must have personal strategies in place to fully achieve a balance.

Quantum Mechanical Calculations of Monoxides of Silicon Carbide Molecules

DTIC Science & Technology

2003-03-01

Data for CO Final Energy Charge Mult Basis Set (hart) EA (eV) ZPE (hart) EA (eV) w/ ZPE 0 1 DVZ -112.6850703739 2.02121 -1 2 DVZ...Energy Charge Mult Basis Set (hart) EA (eV) ZPE (hart) EA (eV) w/ ZPE 0 1 DVZ -363.7341927429 0.617643 -1 2 DVZ -363.7114852831 0 3 DVZ...Input Geometry Output Geometry Basis Set Final Energy (hart) EA (eV) ZPE (hart) EA (eV) w/ ZPE -1 2 O-C-Si Linear O-C-Si Linear DZV -401.5363

Relativistic well-tempered Gaussian basis sets for helium through mercury. Breit interaction included

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

Okada, S.; Shinada, M.; Matsuoka, O.

1990-10-01

A systematic calculation of new relativistic Gaussian basis sets is reported. The new basis sets are similar to the previously reported ones (J. Chem. Phys. {bold 91}, 4193 (1989)), but, in the calculation, the Breit interaction has been explicitly included besides the Dirac--Coulomb Hamiltonian. They have been adopted for the calculation of the self-consistent field effect on the Breit interaction energies and are expected to be useful for the studies on higher-order effects such as the electron correlations and other quantum electrodynamical effects.

Parallel Douglas-Kroll Energy and Gradients in NWChem. Estimating Scalar Relativistic Effects Using Douglas-Kroll Contracted Basis Sets.

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

De Jong, Wibe A.; Harrison, Robert J.; Dixon, David A.

A parallel implementation of the spin-free one-electron Douglas-Kroll(-Hess) Hamiltonian (DKH) in NWChem is discussed. An efficient and accurate method to calculate DKH gradients is introduced. It is shown that the use of standard (non-relativistic) contracted basis set can produce erroneous results for elements beyond the first row elements. The generation of DKH contracted cc-pVXZ (X = D, T, Q, 5) basis sets for H, He, B - Ne, Al - Ar, and Ga - Br will be discussed.

On the Usage of Locally Dense Basis Sets in the Calculation of NMR Indirect Nuclear Spin-Spin Coupling Constants

NASA Astrophysics Data System (ADS)

Sanchez, Marina; Provasi, Patricio F.; Aucar, Gustavo A.; Sauer, Stephan P. A.

Locally dense basis sets (

Carbon footprint of forest and tree utilization technologies in life cycle approach

NASA Astrophysics Data System (ADS)

Polgár, András; Pécsinger, Judit

2017-04-01

In our research project a suitable method has been developed related the technological aspect of the environmental assessment of land use changes caused by climate change. We have prepared an eco-balance (environmental inventory) to the environmental effects classification in life-cycle approach in connection with the typical agricultural / forest and tree utilization technologies. The use of balances and environmental classification makes possible to compare land-use technologies and their environmental effects per common functional unit. In order to test our environmental analysis model, we carried out surveys in sample of forest stands. We set up an eco-balance of the working systems of intermediate cutting and final harvest in the stands of beech, oak, spruce, acacia, poplar and short rotation energy plantations (willow, poplar). We set up the life-cycle plan of the surveyed working systems by using the GaBi 6.0 Professional software and carried out midpoint and endpoint impact assessment. Out of the results, we applied the values of CML 2001 - Global Warming Potential (GWP 100 years) [kg CO2-Equiv.] and Eco-Indicator 99 - Human health, Climate Change [DALY]. On the basis of the values we set up a ranking of technology. By this, we received the environmental impact classification of the technologies based on carbon footprint. The working systems had the greatest impact on global warming (GWP 100 years) throughout their whole life cycle. This is explained by the amount of carbon dioxide releasing to the atmosphere resulting from the fuel of the technologies. Abiotic depletion (ADP foss) and marine aquatic ecotoxicity (MAETP) emerged also as significant impact categories. These impact categories can be explained by the share of input of fuel and lube. On the basis of the most significant environmental impact category (carbon footprint), we perform the relative life cycle contribution and ranking of each technologies. The technological life cycle stages examined in the stands are the followings: Stage 1. cleaning cutting Stage 2. selection thinning Stage 3. increment thinning Stage 4. final harvest In these priority impact categories, the life cycle contribution of technologies varied according to the life cycle stages. • The spruce stand showed the smallest contribution in the stages 1, 2, 3 alike. • After the large contribution of beech stand at the beginning (stage 1), it continues representing a moderate level in stage 2 and 3, and it shares the smallest rate in final harvest (stage 4). • The oak stand showed the largest contribution in the stages 2, 3, 4 alike. • In the case of acacia and poplar, we have got the same results as in the case of oak stands. • In the case of short rotation energy plantations (willow, poplar), we got the results typical on stage 4 of spruce stands. We can conclude, that in case of the stage of final harvest, which represents the most significant environmental impact, the ranking of working systems showes the increasing order of „energy plantations - beech - spruce - acacia - poplar - oak". The environmental assessment of technological aspects of land use and land use change represent an important added value to the climate research. Acknowledgement: This research has been supported by the Agroclimate.2 VKSZ_12-1- 2013-0034 project. Keywords: life-cycle assessment / forest utilization technology / carbon footprint / life-cycle thinking

Balance disorders caused by running and jumping occurring in young basketball players.

PubMed

Struzik, Artur; Zawadzki, Jerzy; Pietraszewski, Bogdan

2015-01-01

Body balance, as one of the coordination abilities,is a desirable variable for basketball players as regards the necessity of efficient responses in constantly changing situations on a basketball court. The aim of this study was to check whether physical activity in the form of running and jumping influences variables characterizing the process of keeping body balance of a basketball player in the standing position. The research was conducted on 11 young basketball players. The measurements were taken with a Kistler force plate. Apart from commonly registered COP displacements, an additional variable describing the process of keeping body balance by a basketball player was ankle joint stiffness on the basis of which an "Index of Balance-Stiffness" (IB-S) was created. Statistically significant differences were obtained for the maximum COP displacements and ankle joint stiffness between measurements of balance in the standing position before and after the employed movement tasks whereas there were no statistically significant differences for the aforementioned variables describing the process of keeping balance between measurements after running and after jumping. The research results indicate that the employed movement activities brought about significant changes in the process of keeping balance of basketball player in the standing position which, after the run performed, remain on a similar level to the series of jumps being performed. The authors attempted to establish an index based on the stiffness which yields a possibility to perceive each basketball player as an individual person in the process of keeping balance.

The “Balance of Nature”—Evolution of a Panchreston

PubMed Central

Simberloff, Daniel

2014-01-01

The earliest concept of a balance of nature in Western thought saw it as being provided by gods but requiring human aid or encouragement for its maintenance. With the rise of Greek natural philosophy, emphasis shifted to traits gods endowed species with at the outset, rather than human actions, as key to maintaining the balance. The dominance of a constantly intervening God in the Middle Ages lessened interest in the inherent features of nature that would contribute to balance, but the Reformation led to renewed focus on such features, particularly traits of species that would maintain all of them but permit none to dominate nature. Darwin conceived of nature in balance, and his emphasis on competition and frequent tales of felicitous species interactions supported the idea of a balance of nature. But Darwin radically changed its underlying basis, from God to natural selection. Wallace was perhaps the first to challenge the very notion of a balance of nature as an undefined entity whose accuracy could not be tested. His skepticism was taken up again in the 20th century, culminating in a widespread rejection of the idea of a balance of nature by academic ecologists, who focus rather on a dynamic, often chaotic nature buffeted by constant disturbances. The balance-of-nature metaphor, however, lives on in large segments of the public, representing a fragile aspect of nature and biodiversity that it is our duty to protect. PMID:25290954

Near Hartree-Fock quality GTO basis sets for the first- and third-row atoms

NASA Technical Reports Server (NTRS)

Partridge, Harry

1989-01-01

Energy-optimized Gaussian-type-orbital (GTO) basis sets of accuracy approaching that of numerical Hartree-Fock computations are compiled for the elements of the first and third rows of the periodic table. The methods employed in calculating the sets are explained; the applicability of the sets to electronic-structure calculations is discussed; and the results are presented in tables and briefly characterized.

Computational tests of quantum chemical models for excited and ionized states of molecules with phosphorus and sulfur atoms.

PubMed

Hahn, David K; RaghuVeer, Krishans; Ortiz, J V

2014-05-15

Time-dependent density functional theory (TD-DFT) and electron propagator theory (EPT) are used to calculate the electronic transition energies and ionization energies, respectively, of species containing phosphorus or sulfur. The accuracy of TD-DFT and EPT, in conjunction with various basis sets, is assessed with data from gas-phase spectroscopy. TD-DFT is tested using 11 prominent exchange-correlation functionals on a set of 37 vertical and 19 adiabatic transitions. For vertical transitions, TD-CAM-B3LYP calculations performed with the MG3S basis set are lowest in overall error, having a mean absolute deviation from experiment of 0.22 eV, or 0.23 eV over valence transitions and 0.21 eV over Rydberg transitions. Using a larger basis set, aug-pc3, improves accuracy over the valence transitions via hybrid functionals, but improved accuracy over the Rydberg transitions is only obtained via the BMK functional. For adiabatic transitions, all hybrid functionals paired with the MG3S basis set perform well, and B98 is best, with a mean absolute deviation from experiment of 0.09 eV. The testing of EPT used the Outer Valence Green's Function (OVGF) approximation and the Partial Third Order (P3) approximation on 37 vertical first ionization energies. It is found that OVGF outperforms P3 when basis sets of at least triple-ζ quality in the polarization functions are used. The largest basis set used in this study, aug-pc3, obtained the best mean absolute error from both methods -0.08 eV for OVGF and 0.18 eV for P3. The OVGF/6-31+G(2df,p) level of theory is particularly cost-effective, yielding a mean absolute error of 0.11 eV.

Comparative Study of Two Systems for the Assessment of Static Balance in Veterans with Mild Traumatic Brain Injury.

PubMed

Leland, Azadeh; Tavakol, Kamran; Scholten, Joel; Bakhshi, Simin; Kelarestaghi, Kaveh

2018-04-01

Traditionally, the diagnosis of postural instability relies on the clinical examination of static balance. In recent years, computerized technologies have provided a new approach for the accurate detection of positional changes during functional balance. The aim of this study was to investigate the similarities and differences between two electronic systems, NeuroCom and BioSensics , and their application in the clinical assessment of impaired balance in American veterans. We examined the sway around the center of mass during static balance conditions in 25 veterans with mild traumatic brain injury, using the two electronic systems. These patients met the inclusion criteria and were assessed for their impaired balance at the District of Columbia Veterans Affair Medical Center, Washington, DC, USA. There were six static balance tests conducted on either NeuroCom or BioSensics system in triplicate. Of the data for 36 sets of statistical data analyses, there were significant correlations among those for eight data sets (22.2%) between the two systems. The strongest positive correlation between the data from the two systems was found during the baseline test, when inputs from visual, vestibular and sensorymotor sources were uninterrupted. The data from the remaining experimental conditions did not correlate significantly with one another. Both NeuroCom and BioSensics provided comparable data in eight out of 36 experimental conditions in the assessment of static balance in patients with mild traumatic brain injury. The findings clarified the ambiguities in the application of NeuroCom versus BioSensics, provided new knowledge for the field of physical medicine and rehabilitation, and improved the clinical assessment of static balance in patients with mTBI.

Energetics of muscle contraction: further trials.

PubMed

Yamada, Kazuhiro

2017-01-01

Knowledge accumulated in the field of energetics of muscle contraction has been reviewed in this article. Active muscle converts chemical energy into heat and work. Therefore, measurements of heat production and mechanical work provide the framework for understanding the process of energy conversion in contraction. In the 1970s, precise comparison between energy output and the associated chemical reactions was performed. It has been found that the two do not match in several situations, resulting in an energy balance discrepancy. More recently, efforts in resolving these discrepancies in the energy balance have been made involving chemical analysis, phosphorus nuclear magnetic resonance spectroscopy, and microcalorimetry. Through reviewing the evidence from these studies, the energy balance discrepancy developed early during isometric contraction has become well understood on a quantitative basis. In this situation energy balance is established when we take into account the binding of Ca to sarcoplasmic proteins such as troponin and parvalbumin, and also the shift of cross-bridge states. On the other hand, the energy balance discrepancy observed during rapid shortening still remains to be clarified. The problem may be related to the essential mechanism of cross-bridge action.

Central Pathways Integrating Metabolism and Reproduction in Teleosts

PubMed Central

Shahjahan, Md.; Kitahashi, Takashi; Parhar, Ishwar S.

2014-01-01

Energy balance plays an important role in the control of reproduction. However, the cellular and molecular mechanisms connecting the two systems are not well understood especially in teleosts. The hypothalamus plays a crucial role in the regulation of both energy balance and reproduction, and contains a number of neuropeptides, including gonadotropin-releasing hormone (GnRH), orexin, neuropeptide-Y, ghrelin, pituitary adenylate cyclase-activating polypeptide, α-melanocyte stimulating hormone, melanin-concentrating hormone, cholecystokinin, 26RFamide, nesfatin, kisspeptin, and gonadotropin-inhibitory hormone. These neuropeptides are involved in the control of energy balance and reproduction either directly or indirectly. On the other hand, synthesis and release of these hypothalamic neuropeptides are regulated by metabolic signals from the gut and the adipose tissue. Furthermore, neurons producing these neuropeptides interact with each other, providing neuronal basis of the link between energy balance and reproduction. This review summarizes the advances made in our understanding of the physiological roles of the hypothalamic neuropeptides in energy balance and reproduction in teleosts, and discusses how they interact with GnRH, kisspeptin, and pituitary gonadotropins to control reproduction in teleosts. PMID:24723910

No need for external orthogonality in subsystem density-functional theory.

PubMed

Unsleber, Jan P; Neugebauer, Johannes; Jacob, Christoph R

2016-08-03

Recent reports on the necessity of using externally orthogonal orbitals in subsystem density-functional theory (SDFT) [Annu. Rep. Comput. Chem., 8, 2012, 53; J. Phys. Chem. A, 118, 2014, 9182] are re-investigated. We show that in the basis-set limit, supermolecular Kohn-Sham-DFT (KS-DFT) densities can exactly be represented as a sum of subsystem densities, even if the subsystem orbitals are not externally orthogonal. This is illustrated using both an analytical example and in basis-set free numerical calculations for an atomic test case. We further show that even with finite basis sets, SDFT calculations using accurate reconstructed potentials can closely approach the supermolecular KS-DFT density, and that the deviations between SDFT and KS-DFT decrease as the basis-set limit is approached. Our results demonstrate that formally, there is no need to enforce external orthogonality in SDFT, even though this might be a useful strategy when developing projection-based DFT embedding schemes.

Open-ended recursive calculation of single residues of response functions for perturbation-dependent basis sets.

PubMed

Friese, Daniel H; Ringholm, Magnus; Gao, Bin; Ruud, Kenneth

2015-10-13

We present theory, implementation, and applications of a recursive scheme for the calculation of single residues of response functions that can treat perturbations that affect the basis set. This scheme enables the calculation of nonlinear light absorption properties to arbitrary order for other perturbations than an electric field. We apply this scheme for the first treatment of two-photon circular dichroism (TPCD) using London orbitals at the Hartree-Fock level of theory. In general, TPCD calculations suffer from the problem of origin dependence, which has so far been solved by using the velocity gauge for the electric dipole operator. This work now enables comparison of results from London orbital and velocity gauge based TPCD calculations. We find that the results from the two approaches both exhibit strong basis set dependence but that they are very similar with respect to their basis set convergence.

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.

Deep Constrained Siamese Hash Coding Network and Load-Balanced Locality-Sensitive Hashing for Near Duplicate Image Detection.

PubMed

Hu, Weiming; Fan, Yabo; Xing, Junliang; Sun, Liang; Cai, Zhaoquan; Maybank, Stephen

2018-09-01

We construct a new efficient near duplicate image detection method using a hierarchical hash code learning neural network and load-balanced locality-sensitive hashing (LSH) indexing. We propose a deep constrained siamese hash coding neural network combined with deep feature learning. Our neural network is able to extract effective features for near duplicate image detection. The extracted features are used to construct a LSH-based index. We propose a load-balanced LSH method to produce load-balanced buckets in the hashing process. The load-balanced LSH significantly reduces the query time. Based on the proposed load-balanced LSH, we design an effective and feasible algorithm for near duplicate image detection. Extensive experiments on three benchmark data sets demonstrate the effectiveness of our deep siamese hash encoding network and load-balanced LSH.

Studies on supplementary desalted mother liquor on digestibility of nutrients, ruminal fermentation, and energy and nitrogen balance in Thai native cattle.

PubMed

Sakai, Takashi; Angthong, Wanna; Takeda, Motoharu; Oishi, Kazato; Hirooka, Hiroyuki; Kumagai, Hajime

2017-09-01

Four Thai native steers were used to determine the adequate levels of supplementary desalted mother liquor (DML) for energy and nitrogen balances and ruminal fermentation. The crude protein and sodium chloride contents of DML were 25.5% and 60.3% on a dry matter (DM) basis, respectively. A 4 × 4 Latin square design experiment was conducted by adding different amounts of DML to three experimental diets (T1: 1.1%, T2: 2.2%, T3: 3.4% sodium chloride concentration with supplementary DML on a DM basis) and comparing their effects with those of a control diet (C) containing 1.0% commercial salt on a DM basis. The animals were given the experimental diets and rice straw daily at 1.2% and 0.8% of body weight, respectively, on a DM basis. No significant differences in the apparent digestibility of nutrients were observed among treatments. T3 achieved the lowest nitrogen retention (P < 0.05), followed by C, T2 and T1. The ratios of energy retention to gross energy were higher in T1 and T3 than T2, and that in C was lowest (P < 0.05). Supplementary NaCl concentration at 1% and 2% can be replaced with DML without an adverse effect on the digestibility of nutrients or on the nitrogen and energy retention. © 2017 Japanese Society of Animal Science.

Numerical judgments by chimpanzees (Pan troglodytes) in a token economy.

PubMed

Beran, Michael J; Evans, Theodore A; Hoyle, Daniel

2011-04-01

We presented four chimpanzees with a series of tasks that involved comparing two token sets or comparing a token set to a quantity of food. Selected tokens could be exchanged for food items on a one-to-one basis. Chimpanzees successfully selected the larger numerical set for comparisons of 1 to 5 items when both sets were visible and when sets were presented through one-by-one addition of tokens into two opaque containers. Two of four chimpanzees used the number of tokens and food items to guide responding in all conditions, rather than relying on token color, size, total amount, or duration of set presentation. These results demonstrate that judgments of simultaneous and sequential sets of stimuli are made by some chimpanzees on the basis of the numerousness of sets rather than other non-numerical dimensions. The tokens were treated as equivalent to food items on the basis of their numerousness, and the chimpanzees maximized reward by choosing the larger number of items in all situations.

Correlation consistent basis sets for actinides. I. The Th and U atoms

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

Peterson, Kirk A., E-mail: kipeters@wsu.edu

New correlation consistent basis sets based on both pseudopotential (PP) and all-electron Douglas-Kroll-Hess (DKH) Hamiltonians have been developed from double- to quadruple-zeta quality for the actinide atoms thorium and uranium. Sets for valence electron correlation (5f6s6p6d), cc − pV nZ − PP and cc − pV nZ − DK3, as well as outer-core correlation (valence + 5s5p5d), cc − pwCV nZ − PP and cc − pwCV nZ − DK3, are reported (n = D, T, Q). The -PP sets are constructed in conjunction with small-core, 60-electron PPs, while the -DK3 sets utilized the 3rd-order Douglas-Kroll-Hess scalar relativistic Hamiltonian. Bothmore » series of basis sets show systematic convergence towards the complete basis set limit, both at the Hartree-Fock and correlated levels of theory, making them amenable to standard basis set extrapolation techniques. To assess the utility of the new basis sets, extensive coupled cluster composite thermochemistry calculations of ThF{sub n} (n = 2 − 4), ThO{sub 2}, and UF{sub n} (n = 4 − 6) have been carried out. After accurately accounting for valence and outer-core correlation, spin-orbit coupling, and even Lamb shift effects, the final 298 K atomization enthalpies of ThF{sub 4}, ThF{sub 3}, ThF{sub 2}, and ThO{sub 2} are all within their experimental uncertainties. Bond dissociation energies of ThF{sub 4} and ThF{sub 3}, as well as UF{sub 6} and UF{sub 5}, were similarly accurate. The derived enthalpies of formation for these species also showed a very satisfactory agreement with experiment, demonstrating that the new basis sets allow for the use of accurate composite schemes just as in molecular systems composed only of lighter atoms. The differences between the PP and DK3 approaches were found to increase with the change in formal oxidation state on the actinide atom, approaching 5-6 kcal/mol for the atomization enthalpies of ThF{sub 4} and ThO{sub 2}. The DKH3 atomization energy of ThO{sub 2} was calculated to be smaller than the DKH2 value by ∼1 kcal/mol.« less

A reconciled estimate of ice-sheet mass balance.

PubMed

Shepherd, Andrew; Ivins, Erik R; A, Geruo; Barletta, Valentina R; Bentley, Mike J; Bettadpur, Srinivas; Briggs, Kate H; Bromwich, David H; Forsberg, René; Galin, Natalia; Horwath, Martin; Jacobs, Stan; Joughin, Ian; King, Matt A; Lenaerts, Jan T M; Li, Jilu; Ligtenberg, Stefan R M; Luckman, Adrian; Luthcke, Scott B; McMillan, Malcolm; Meister, Rakia; Milne, Glenn; Mouginot, Jeremie; Muir, Alan; Nicolas, Julien P; Paden, John; Payne, Antony J; Pritchard, Hamish; Rignot, Eric; Rott, Helmut; Sørensen, Louise Sandberg; Scambos, Ted A; Scheuchl, Bernd; Schrama, Ernst J O; Smith, Ben; Sundal, Aud V; van Angelen, Jan H; van de Berg, Willem J; van den Broeke, Michiel R; Vaughan, David G; Velicogna, Isabella; Wahr, John; Whitehouse, Pippa L; Wingham, Duncan J; Yi, Donghui; Young, Duncan; Zwally, H Jay

2012-11-30

We combined an ensemble of satellite altimetry, interferometry, and gravimetry data sets using common geographical regions, time intervals, and models of surface mass balance and glacial isostatic adjustment to estimate the mass balance of Earth's polar ice sheets. We find that there is good agreement between different satellite methods--especially in Greenland and West Antarctica--and that combining satellite data sets leads to greater certainty. Between 1992 and 2011, the ice sheets of Greenland, East Antarctica, West Antarctica, and the Antarctic Peninsula changed in mass by -142 ± 49, +14 ± 43, -65 ± 26, and -20 ± 14 gigatonnes year(-1), respectively. Since 1992, the polar ice sheets have contributed, on average, 0.59 ± 0.20 millimeter year(-1) to the rate of global sea-level rise.

Segmented all-electron Gaussian basis sets of double and triple zeta qualities for Fr, Ra, and Ac

NASA Astrophysics Data System (ADS)

Campos, C. T.; de Oliveira, A. Z.; Ferreira, I. B.; Jorge, F. E.; Martins, L. S. C.

2017-05-01

Segmented all-electron basis sets of valence double and triple zeta qualities plus polarization functions for the elements Fr, Ra, and Ac are generated using non-relativistic and Douglas-Kroll-Hess (DKH) Hamiltonians. The sets are augmented with diffuse functions with the purpose to describe appropriately the electrons far from the nuclei. At the DKH-B3LYP level, first atomic ionization energies and bond lengths, dissociation energies, and polarizabilities of a sample of diatomics are calculated. Comparison with theoretical and experimental data available in the literature is carried out. It is verified that despite the small sizes of the basis sets, they are yet reliable.

[Optimal solution and analysis of muscular force during standing balance].

PubMed

Wang, Hongrui; Zheng, Hui; Liu, Kun

2015-02-01

The present study was aimed at the optimal solution of the main muscular force distribution in the lower extremity during standing balance of human. The movement musculoskeletal system of lower extremity was simplified to a physical model with 3 joints and 9 muscles. Then on the basis of this model, an optimum mathematical model was built up to solve the problem of redundant muscle forces. Particle swarm optimization (PSO) algorithm is used to calculate the single objective and multi-objective problem respectively. The numerical results indicated that the multi-objective optimization could be more reasonable to obtain the distribution and variation of the 9 muscular forces. Finally, the coordination of each muscle group during maintaining standing balance under the passive movement was qualitatively analyzed using the simulation results obtained.

Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell π-conjugated systems

NASA Astrophysics Data System (ADS)

Champagne, Benoı̂t; Botek, Edith; Nakano, Masayoshi; Nitta, Tomoshige; Yamaguchi, Kizashi

2005-03-01

The basis set and electron correlation effects on the static polarizability (α) and second hyperpolarizability (γ) are investigated ab initio for two model open-shell π-conjugated systems, the C5H7 radical and the C6H8 radical cation in their doublet state. Basis set investigations evidence that the linear and nonlinear responses of the radical cation necessitate the use of a less extended basis set than its neutral analog. Indeed, double-zeta-type basis sets supplemented by a set of d polarization functions but no diffuse functions already provide accurate (hyper)polarizabilities for C6H8 whereas diffuse functions are compulsory for C5H7, in particular, p diffuse functions. In addition to the 6-31G*+pd basis set, basis sets resulting from removing not necessary diffuse functions from the augmented correlation consistent polarized valence double zeta basis set have been shown to provide (hyper)polarizability values of similar quality as more extended basis sets such as augmented correlation consistent polarized valence triple zeta and doubly augmented correlation consistent polarized valence double zeta. Using the selected atomic basis sets, the (hyper)polarizabilities of these two model compounds are calculated at different levels of approximation in order to assess the impact of including electron correlation. As a function of the method of calculation antiparallel and parallel variations have been demonstrated for α and γ of the two model compounds, respectively. For the polarizability, the unrestricted Hartree-Fock and unrestricted second-order Møller-Plesset methods bracket the reference value obtained at the unrestricted coupled cluster singles and doubles with a perturbative inclusion of the triples level whereas the projected unrestricted second-order Møller-Plesset results are in much closer agreement with the unrestricted coupled cluster singles and doubles with a perturbative inclusion of the triples values than the projected unrestricted Hartree-Fock results. Moreover, the differences between the restricted open-shell Hartree-Fock and restricted open-shell second-order Møller-Plesset methods are small. In what concerns the second hyperpolarizability, the unrestricted Hartree-Fock and unrestricted second-order Møller-Plesset values remain of similar quality while using spin-projected schemes fails for the charged system but performs nicely for the neutral one. The restricted open-shell schemes, and especially the restricted open-shell second-order Møller-Plesset method, provide for both compounds γ values close to the results obtained at the unrestricted coupled cluster level including singles and doubles with a perturbative inclusion of the triples. Thus, to obtain well-converged α and γ values at low-order electron correlation levels, the removal of spin contamination is a necessary but not a sufficient condition. Density-functional theory calculations of α and γ have also been carried out using several exchange-correlation functionals. Those employing hybrid exchange-correlation functionals have been shown to reproduce fairly well the reference coupled cluster polarizability and second hyperpolarizability values. In addition, inclusion of Hartree-Fock exchange is of major importance for determining accurate polarizability whereas for the second hyperpolarizability the gradient corrections are large.

38 CFR 52.140 - Dietary services.

Code of Federal Regulations, 2011 CFR

2011-07-01

... meals. (1) At regular times comparable to normal mealtimes in the community, each participant may... management must provide each participant with a nourishing, palatable, well-balanced meal that proportionally... program management must employ a qualified dietitian either part-time or on a contract consultant basis to...

Physical Education Objectives. DOD Dependents Schools.

ERIC Educational Resources Information Center

Dependents Schools (DOD), Washington, DC.

These program objectives were developed to support the Department of Defense Dependent Schools Five Year Curriculum Development Plan and are designed to provide a basis for elementary, middle, and secondary school physical education curricula. A balance of psychomotor, cognitive, and affective aspects is emphasized. General, program, and…

12 CFR 325.5 - Miscellaneous.

Code of Federal Regulations, 2013 CFR

2013-01-01

... MAINTENANCE Minimum Capital Requirements § 325.5 Miscellaneous. (a) Intangible assets. Any intangible assets...-enhancing interest-only strips on a basis that is net of a proportional amount of any associated deferred tax liability recorded on the balance sheet. Any deferred tax liability netted in this manner cannot...

12 CFR 325.5 - Miscellaneous.

Code of Federal Regulations, 2014 CFR

2014-01-01

... MAINTENANCE Minimum Capital Requirements § 325.5 Miscellaneous. (a) Intangible assets. Any intangible assets...-enhancing interest-only strips on a basis that is net of a proportional amount of any associated deferred tax liability recorded on the balance sheet. Any deferred tax liability netted in this manner cannot...

29 CFR 1908.8 - Consultant specifications.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR... health expertise necessary to properly meet the demand for consultation by the various industries within a State. The RA will determine and negotiate a reasonable balance with the State on an annual basis...

Rational Density Functional Selection Using Game Theory.

PubMed

McAnanama-Brereton, Suzanne; Waller, Mark P

2018-01-22

Theoretical chemistry has a paradox of choice due to the availability of a myriad of density functionals and basis sets. Traditionally, a particular density functional is chosen on the basis of the level of user expertise (i.e., subjective experiences). Herein we circumvent the user-centric selection procedure by describing a novel approach for objectively selecting a particular functional for a given application. We achieve this by employing game theory to identify optimal functional/basis set combinations. A three-player (accuracy, complexity, and similarity) game is devised, through which Nash equilibrium solutions can be obtained. This approach has the advantage that results can be systematically improved by enlarging the underlying knowledge base, and the deterministic selection procedure mathematically justifies the density functional and basis set selections.

Assessment of multireference approaches to explicitly correlated full configuration interaction quantum Monte Carlo

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

Kersten, J. A. F., E-mail: jennifer.kersten@cantab.net; Alavi, Ali, E-mail: a.alavi@fkf.mpg.de; Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569 Stuttgart

2016-08-07

The Full Configuration Interaction Quantum Monte Carlo (FCIQMC) method has proved able to provide near-exact solutions to the electronic Schrödinger equation within a finite orbital basis set, without relying on an expansion about a reference state. However, a drawback to the approach is that being based on an expansion of Slater determinants, the FCIQMC method suffers from a basis set incompleteness error that decays very slowly with the size of the employed single particle basis. The FCIQMC results obtained in a small basis set can be improved significantly with explicitly correlated techniques. Here, we present a study that assesses andmore » compares two contrasting “universal” explicitly correlated approaches that fit into the FCIQMC framework: the [2]{sub R12} method of Kong and Valeev [J. Chem. Phys. 135, 214105 (2011)] and the explicitly correlated canonical transcorrelation approach of Yanai and Shiozaki [J. Chem. Phys. 136, 084107 (2012)]. The former is an a posteriori internally contracted perturbative approach, while the latter transforms the Hamiltonian prior to the FCIQMC simulation. These comparisons are made across the 55 molecules of the G1 standard set. We found that both methods consistently reduce the basis set incompleteness, for accurate atomization energies in small basis sets, reducing the error from 28 mE{sub h} to 3-4 mE{sub h}. While many of the conclusions hold in general for any combination of multireference approaches with these methodologies, we also consider FCIQMC-specific advantages of each approach.« less

Coal conversion systems design and process modeling. Volume 1: Application of MPPR and Aspen computer models

NASA Technical Reports Server (NTRS)

1981-01-01

The development of a coal gasification system design and mass and energy balance simulation program for the TVA and other similar facilities is described. The materials-process-product model (MPPM) and the advanced system for process engineering (ASPEN) computer program were selected from available steady state and dynamic models. The MPPM was selected to serve as the basis for development of system level design model structure because it provided the capability for process block material and energy balance and high-level systems sizing and costing. The ASPEN simulation serves as the basis for assessing detailed component models for the system design modeling program. The ASPEN components were analyzed to identify particular process blocks and data packages (physical properties) which could be extracted and used in the system design modeling program. While ASPEN physical properties calculation routines are capable of generating physical properties required for process simulation, not all required physical property data are available, and must be user-entered.

Balance within the Neurexin Trans-Synaptic Connexus Stabilizes Behavioral Control

PubMed Central

Clarke, Raymond A.; Eapen, Valsamma

2014-01-01

Autism spectrum disorder (ASD) is characterized by a broad spectrum of behavioral deficits of unknown etiology. ASD associated mutations implicate numerous neurological pathways including a common association with the neurexin trans-synaptic connexus (NTSC) which regulates neuronal cell-adhesion, neuronal circuitry, and neurotransmission. Comparable DNA lesions affecting the NTSC, however, associate with a diversity of behavioral deficits within and without the autism spectrum including a very strong association with Tourette syndrome. The NTSC is comprised of numerous post-synaptic ligands competing for trans-synaptic connection with one of the many different neurexin receptors yet no apparent association exists between specific NTSC molecules/complexes and specific behavioral deficits. Together these findings indicate a fundamental role for NTSC-balance in stabilizing pre-behavioral control. Further molecular and clinical characterization and stratification of ASD and TS on the basis of NTSC status will help elucidate the molecular basis of behavior – and define how the NTSC functions in combination with other molecular determinates to strengthen behavioral control and specify behavioral deficits. PMID:24578685

Detailed Wave Function Analysis for Multireference Methods: Implementation in the Molcas Program Package and Applications to Tetracene.

PubMed

Plasser, Felix; Mewes, Stefanie A; Dreuw, Andreas; González, Leticia

2017-11-14

High-level multireference computations on electronically excited and charged states of tetracene are performed, and the results are analyzed using an extensive wave function analysis toolbox that has been newly implemented in the Molcas program package. Aside from verifying the strong effect of dynamic correlation, this study reveals an unexpected critical influence of the atomic orbital basis set. It is shown that different polarized double-ζ basis sets produce significantly different results for energies, densities, and overall wave functions, with the best performance obtained for the atomic natural orbital (ANO) basis set by Pierloot et al. Strikingly, the ANO basis set not only reproduces the energies but also performs exceptionally well in terms of describing the diffuseness of the different states and of their attachment/detachment densities. This study, thus, not only underlines the fact that diffuse basis functions are needed for an accurate description of the electronic wave functions but also shows that, at least for the present example, it is enough to include them implicitly in the contraction scheme.

Conformational landscape of isolated capped amino acids: on the nature of non-covalent interactions*

NASA Astrophysics Data System (ADS)

González, Jorge; Martínez, Rodrigo; Fernández, José A.; Millan, Judith

2017-08-01

The intramolecular interactions for isolated capped amino acids were investigated computationally by characterizing the conformers for selected amino acids with charged (arginine), polar (asparagine and glutamine), non-polar (alanine, valine and isoleucine), and aromatic (phenylalanine, tryptophan and tyrosine) side chains. The computational method applied combined a molecular mechanics conformational search (with an MMFFs forced field) followed by structural and vibrational density-functional calculations (M06-2X with a triple- ζ Pople's basis set). The intramolecular forces in each amino acid were analyzed with the Non-Covalent Interactions (NCI) analysis. The results for the 15 most stable conformers studied showed that the structure of isolated capped amino acids resembles those found in proteins. In particular, the two most stable conformers of the nine amino acids investigated exhibit γ L and β L conformations with 7- and 5-membered rings, respectively, as a result of the balance between non-covalent interactions (hydrogen bonds and van der Waals).

The Resilience Activation Framework: A conceptual model of how access to social resources promotes adaptation and rapid recovery in post-disaster settings

PubMed Central

Abramson, David M.; Grattan, Lynn M.; Mayer, Brian; Colten, Craig E.; Arosemena, Farah A.; Rung, Ariane; Lichtveld, Maureen

2014-01-01

A number of governmental agencies have called for enhancing citizen’s resilience as a means of preparing populations in advance of disasters, and as a counter-balance to social and individual vulnerabilities. This increasing scholarly, policy and programmatic interest in promoting individual and communal resilience presents a challenge to the research and practice communities: to develop a translational framework that can accommodate multi-disciplinary scientific perspectives into a single, applied model. The Resilience Activation Framework provides a basis for testing how access to social resources, such as formal and informal social support and help, promotes positive adaptation or reduced psychopathology among individuals and communities exposed to the acute collective stressors associated with disasters, whether manmade, natural, or technological in origin. Articulating the mechanisms by which access to social resources activate and sustain resilience capacities for optimal mental health outcomes post-disaster can lead to the development of effective preventive and early intervention programs. PMID:24870399

Swimming at small Reynolds number of a planar assembly of spheres in an incompressible viscous fluid with inertia

NASA Astrophysics Data System (ADS)

Felderhof, B. U.

2017-09-01

Translational and rotational swimming at small Reynolds numbers of a planar assembly of identical spheres immersed in an incompressible viscous fluid is studied on the basis of a set of equations of motion for the individual spheres. The motion of the spheres is caused by actuating forces and forces derived from a direct interaction potential, as well as hydrodynamic forces exerted by the fluid as frictional and added mass hydrodynamic interactions. The translational and rotational swimming velocities of the assembly are deduced from momentum and angular momentum balance equations. The mean power required during a period is calculated from an instantaneous power equation. Expressions are derived for the mean swimming velocities and the mean power, valid to second order in the amplitude of displacements from the relative equilibrium positions. Hence these quantities can be evaluated for prescribed periodic displacements. Explicit calculations are performed for three spheres interacting such that they form an equilateral triangle in the rest frame of the configuration.

Analysis of hospital costs as a basis for pricing services in Mali.

PubMed

Audibert, Martine; Mathonnat, Jacky; Pareil, Delphine; Kabamba, Raymond

2007-01-01

In a move to achieve a better equity in the funding of access to health care, particularly for the poor, a better efficiency of hospital functioning and a better financial balance, the analysis of hospital costs in Mali brings several key elements to improve the pricing of medical services. The method utilized is the classical step-down process which takes into consideration the entire set of direct and indirect costs borne by the hospital. Although this approach does not allow to estimate the economic cost of consultations, it is a useful contribution to assess the financial activity of the hospital and improve its performance, financially speaking, through a more relevant user fees policy. The study shows that there are possibilities of cross-subsidies within the hospital or within services which improve the recovery of some of the current costs. It also leads to several proposals of pricing care while taking into account the constraints, the level of the hospital its specific conditions and equity. Copyright (c) 2007 John Wiley & Sons, Ltd.

Spatially Complete Surface Albedo Data Sets: Value-Added Products Derived from Terra MODIS Land Products

NASA Technical Reports Server (NTRS)

Moody, Eric G.; King, Michael D.; Platnick, Steven; Schaaf, Crystal B.; Gao, Feng

2004-01-01

Spectral land surface albedo is an important parameter for describing the radiative properties of the Earth. Accordingly it reflects the consequences of natural and human interactions, such as anthropogenic, meteorological, and phenological effects, on global and local climatological trends. Consequently, albedos are integral parts in a variety of research areas, such as general circulation models (GCMs), energy balance studies, modeling of land use and land use change, and biophysical, oceanographic, and meteorological studies. Recent observations of diffuse bihemispherical (white-sky) and direct beam directional hemispherical (black-sky ) land surface albedo included in the MOD43B3 product from MODIS instruments aboard NASA's Terra and Aqua satellite platforms have provided researchers with unprecedented spatial, spectral, and temporal characteristics. Cloud and seasonal snow cover, however, curtail retrievals to approximately half the global land surfaces on an annual equal-angle basis, precluding MOD43B3 albedo products from direct inclusion in some research projects and production environments.

An artificial neural networks approach for assessment treatment response in oncological patients using PET/CT images.

PubMed

Nogueira, Mariana A; Abreu, Pedro H; Martins, Pedro; Machado, Penousal; Duarte, Hugo; Santos, João

2017-02-13

Positron Emission Tomography - Computed Tomography (PET/CT) imaging is the basis for the evaluation of response-to-treatment of several oncological diseases. In practice, such evaluation is manually performed by specialists, which is rather complex and time-consuming. Evaluation measures have been proposed, but with questionable reliability. The usage of before and after-treatment image descriptors of the lesions for treatment response evaluation is still a territory to be explored. In this project, Artificial Neural Network approaches were implemented to automatically assess treatment response of patients suffering from neuroendocrine tumors and Hodgkyn lymphoma, based on image features extracted from PET/CT. The results show that the considered set of features allows for the achievement of very high classification performances, especially when data is properly balanced. After synthetic data generation and PCA-based dimensionality reduction to only two components, LVQNN assured classification accuracies of 100%, 100%, 96.3% and 100% regarding the 4 response-to-treatment classes.

Proceedings of the 2016 Clinical Nutrition Week Research Workshop-The Optimal Dose of Protein Provided to Critically Ill Patients.

PubMed

Heyland, Daren K; Rooyakers, Olav; Mourtzakis, Marina; Stapleton, Renee D

2017-02-01

Recent literature has created considerable confusion about the optimal amount of protein/amino acids that should be provided to the critically ill patient. In fact, the evidentiary basis that directly tries to answer this question is relatively small. As a clinical nutrition research community, there is an urgent need to develop the optimal methods to assess the impact of exogenous protein/amino acid administration in the intensive care unit setting. That assessment can be conducted at various levels: (1) impact on stress response pathways, (2) impact on muscle synthesis and protein balance, (3) impact on muscle mass and function, and (4) impact on the patient's recovery. The objective of this research workshop was to review current literature relating to protein/amino acid administration for the critically ill patient and clinical outcomes and to discuss the key measurement and methodological features of future studies that should be done to inform the optimal protein/amino acid dose provided to critically ill patients.

Balances for the measurement of multiple components of force in flows of a millisecond duration

NASA Technical Reports Server (NTRS)

Mee, D. J.; Daniel, W. J.; Tuttle, S. L.; Simmons, J. M.

1995-01-01

This paper reports a new balance for the measurement of three components of force - lift, drag and pitching moment - in impulsively starting flows which have a duration of about one millisecond. The basics of the design of the balance are presented and results of tests on a 15 deg semi-angle cone set at incidence in the T4 shock tunnel are compared with predictions. These results indicate that the prototype balance performs well for a 1.9 kg, 220 mm long model. Also presented are results from initial bench tests of another application of the deconvolution force balance to the measurement of thrust produced by a 2D scramjet nozzle.

GIS-based modeling of a complex hydrogeological setting in the younger Pleistocene of NE-Germany

NASA Astrophysics Data System (ADS)

Brüning, Torben; Merz, Christoph; van Gasselt, Stephan; Steidl, Jörg

2016-04-01

The water balance of the young pleistocene landscape in northeastern Germany is exposed to strong threats by changing climate conditions. During the last two decades the landscape with its many lakes has been impacted by increasing periodic fluctuations of the climate. In addition, anthropogenic influence has been causing significant changes in the landscape in order to improve agriculture and forestry but with negative impact on the groundwater hydrology. For a sustainable ecological and economical water management it is therefore paramount to build precise groundwater data models allowing a complex spatial and multi-temporal data processing. Such models could potentially be used as sources of consistent data providing improved data sets for numerical groundwater modeling and quantitative assessments to avoid unrecoverable damage (e.g. intrusion of highly mineralised groundwater intrusion. Such assessments are cost intensive if data source are heterogeneous and not well-integrated. To allow an hydrogeologically elaborated examination of data, an effective geodata management is needed to homogenize and combine available digital and thematic map information. This work reports on a project conducted for the catchments of two streams, Quillow and Strom, located in the Uckermark, a region in northeastern Germany. The database comprises current geodatasets consisting of hydrological and hydrogeological content and old thematic maps of Quaternary geology. Available geodata, measurements and digitized map series data of this region from environmental agencies of the states Mecklenburg Western Pomerania and Brandenburg were included and homogenized considering publications and technical reports. As a result, a newly developed spatial data basis has been compiled as geodatabase using vector feature classes, raster data, TINs and relationship classes. The resulting three-dimensional image of aquifers and aquitards of the Quaternary deposits exhibit potential interfaces between different aquifers and surface hydrology. The storage formats allows to include new information of this region in an intuitive way, thereby expanding the database and increase information density without losing control over data integrity and consistency by maintaining referential integrity. This enhanced, GIS based geodatabase is of future interest for more detailed exploration campaigns and as data basis for numerical modeling in order to provide a reliable basis for an integrated, sustainable groundwater management in this region.

Earth Structure, Ice Mass Changes, and the Local Dynamic Geoid

NASA Astrophysics Data System (ADS)

Harig, C.; Simons, F. J.

2014-12-01

Spherical Slepian localization functions are a useful method for studying regional mass changes observed by satellite gravimetry. By projecting data onto a sparse basis set, the local field can be estimated more easily than with the full spherical harmonic basis. We have used this method previously to estimate the ice mass change in Greenland from GRACE data, and it can also be applied to other planetary problems such as global magnetic fields. Earth's static geoid, in contrast to the time-variable field, is in large part related to the internal density and rheological structure of the Earth. Past studies have used dynamic geoid kernels to relate this density structure and the internal deformation it induces to the surface geopotential at large scales. These now classical studies of the eighties and nineties were able to estimate the mantle's radial rheological profile, placing constraints on the ratio between upper and lower mantle viscosity. By combining these two methods, spherical Slepian localization and dynamic geoid kernels, we have created local dynamic geoid kernels which are sensitive only to density variations within an area of interest. With these kernels we can estimate the approximate local radial rheological structure that best explains the locally observed geoid on a regional basis. First-order differences of the regional mantle viscosity structure are accessible to this technique. In this contribution we present our latest, as yet unpublished results on the geographical and temporal pattern of ice mass changes in Antarctica over the past decade, and we introduce a new approach to extract regional information about the internal structure of the Earth from the static global gravity field. Both sets of results are linked in terms of the relevant physics, but also in being developed from the marriage of Slepian functions and geoid kernels. We make predictions on the utility of our approach to derive fully three-dimensional rheological Earth models, to be used for corrections for glacio-isostatic adjustment, as necessary for the interpretation of time-variable gravity observations in terms of ice sheet mass-balance studies.

Habitat and environment of islands: primary and supplemental island sets

USGS Publications Warehouse

Matalas, Nicholas C.; Grossling, Bernardo F.

2002-01-01

The original intent of the study was to develop a first-order synopsis of island hydrology with an integrated geologic basis on a global scale. As the study progressed, the aim was broadened to provide a framework for subsequent assessments on large regional or global scales of island resources and impacts on those resources that are derived from global changes. Fundamental to the study was the development of a comprehensive framework?a wide range of parameters that describe a set of 'saltwater' islands sufficiently large to Characterize the spatial distribution of the world?s islands; Account for all major archipelagos; Account for almost all oceanically isolated islands, and Account collectively for a very large proportion of the total area of the world?s islands whereby additional islands would only marginally contribute to the representativeness and accountability of the island set. The comprehensive framework, which is referred to as the ?Primary Island Set,? is built on 122 parameters that describe 1,000 islands. To complement the investigations based on the Primary Island Set, two supplemental island sets, Set A?Other Islands (not in the Primary Island Set) and Set B?Lagoonal Atolls, are included in the study. The Primary Island Set, together with the Supplemental Island Sets A and B, provides a framework that can be used in various scientific disciplines for their island-based studies on broad regional or global scales. The study uses an informal, coherent, geophysical organization of the islands that belong to the three island sets. The organization is in the form of a global island chain, which is a particular sequential ordering of the islands referred to as the 'Alisida.' The Alisida was developed through a trial-and-error procedure by seeking to strike a balance between 'minimizing the length of the global chain' and 'maximizing the chain?s geophysical coherence.' The fact that an objective function cannot be minimized and maximized simultaneously indicates that the Alisida is not unique. Global island chains other than the Alisida may better serve disciplines other than those of hydrology and geology.

Use of a new ultra-long-range terrestrial LiDAR system to monitor the mass balance of very small glaciers in the Swiss Alps

NASA Astrophysics Data System (ADS)

Fischer, M.; Huss, M.; Hoelzle, M.

2015-12-01

Measuring glacier mass balance is important as it directly reflects the climatic forcing on the glacier surface. Today, repeated comparison of digital elevation models (DEMs) is a popular and widely used approach to derive surface elevation, volume and mass changes for a large number of glaciers. In high-mountain environments, airborne laser scanning (ALS) techniques currently provide the most accurate and highest resolution DEMs on the catchment scale, allowing the computation of glacier changes on an annual or even semi-annual basis. For monitoring individual glaciers though, terrestrial laser scanning (TLS) is easier and more cost-efficiently applied on the seasonal timescale compared to ALS. Since most recently, the application of the latest generation of ultra-long-range near infrared TLS systems allows the acquisition of surface elevation information over snow and ice of unprecedented quality and over larger zones than with previous near infrared TLS devices. Although very small glaciers represent the majority in number in most mountain ranges on Earth, their response to climatic changes is still not fully understood and field measurements are sparse. Therefore, a programme was set up in 2012 to monitor both the seasonal and annual surface mass balance of six very small glaciers across the Swiss Alps using the direct glaciological method. As often nearly the entire surface is visible from one single location, TLS is a highly promising technique to generate repeated high-resolution DEMs as well as to derive seasonal geodetic mass balances of very small ice masses. In this study, we present seasonal surface elevation, volume and geodetic mass changes for five very small glaciers in Switzerland (Glacier de Prapio, Glacier du Sex Rouge, St. Annafirn, Schwarzbachfirn and Pizolgletscher) derived from the comparison of seasonally repeated high-resolution DEMs acquired since autumn 2013 with the new ultra-long-range TLS device Riegl VZ-6000. We show the different processing steps necessary to derive geodetic glacier changes from the raw data (the TLS point clouds), comment on the accuracy of our results and compare them to very dense in-situ measurements, and thus investigate the potential of our approach to circumvent laborious and time consuming glaciological mass balance measurements of very small glaciers.

Mass balance, meteorological, ice motion, surface altitude, runoff, and ice thickness data at Gulkana Glacier, Alaska, 1995 balance year

USGS Publications Warehouse

March, Rod S.

2000-01-01

The 1995 measured winter snow, maximum winter snow, net, and annual balances in the Gulkana Glacier basin were evaluated on the basis of meteorological, hydrological, and glaciological data obtained in the basin. Averaged over the glacier, the measured winter snow balance was 0.94 meter on April 19, 1995, 0.6 standard deviation below the long-term average; the maximum winter snow balance, 0.94 meter, was reached on April 25, 1995; the net balance (from September 18, 1994 to August 29, 1995) was -0.70 meter, 0.76 standard deviation below the long-term average. The annual balance (October 1, 1994, to September 30, 1995) was -0.86 meter. Ice-surface motion and altitude changes measured at three index sites document seasonal ice speed and glacier-thickness changes. Annual stream runoff was 2.05 meters averaged over the basin, approximately equal to the long-term average. The 1976 ice-thickness data are reported from a single site near the highest measurement site (180 meters thick) and from two glacier cross profiles near the mid-glacier (270 meters thick on centerline) and low glacier (150 meters thick on centerline) measurement sites. A new area-altitude distribution determined from 1993 photogrammetry is reported. Area-averaged balances are reported from both the 1967 and 1993 area-altitude distribution so the reader may directly see the effect of the update. Briefly, loss of ablation area between 1967 and 1993 results in a larger weighting being applied to data from the upper glacier site and hence, increases calculated area-averaged balances. The balance increase is of the order of 15 percent for net balance.

Dynamic balance during walking adaptability tasks in individuals post-stroke.

PubMed

Vistamehr, Arian; Balasubramanian, Chitralakshmi K; Clark, David J; Neptune, Richard R; Fox, Emily J

2018-06-06

Maintaining dynamic balance during community ambulation is a major challenge post-stroke. Community ambulation requires performance of steady-state level walking as well as tasks that require walking adaptability. Prior studies on balance control post-stroke have mainly focused on steady-state walking, but walking adaptability tasks have received little attention. The purpose of this study was to quantify and compare dynamic balance requirements during common walking adaptability tasks post-stroke and in healthy adults and identify differences in underlying mechanisms used for maintaining dynamic balance. Kinematic data were collected from fifteen individuals with post-stroke hemiparesis during steady-state forward and backward walking, obstacle negotiation, and step-up tasks. In addition, data from ten healthy adults provided the basis for comparison. Dynamic balance was quantified using the peak-to-peak range of whole-body angular-momentum in each anatomical plane during the paretic, nonparetic and healthy control single-leg-stance phase of the gait cycle. To understand differences in some of the key underlying mechanisms for maintaining dynamic balance, foot placement and plantarflexor muscle activation were examined. Individuals post-stroke had significant dynamic balance deficits in the frontal plane across most tasks, particularly during the paretic single-leg-stance. Frontal plane balance deficits were associated with wider paretic foot placement, elevated body center-of-mass, and lower soleus activity. Further, the obstacle negotiation task imposed a higher balance requirement, particularly during the trailing leg single-stance. Thus, improving paretic foot placement and ankle plantarflexor activity, particularly during obstacle negotiation, may be important rehabilitation targets to enhance dynamic balance during post-stroke community ambulation. Copyright © 2018 Elsevier Ltd. All rights reserved.

A Thermodynamically-consistent FBA-based Approach to Biogeochemical Reaction Modeling

NASA Astrophysics Data System (ADS)

Shapiro, B.; Jin, Q.

2015-12-01

Microbial rates are critical to understanding biogeochemical processes in natural environments. Recently, flux balance analysis (FBA) has been applied to predict microbial rates in aquifers and other settings. FBA is a genome-scale constraint-based modeling approach that computes metabolic rates and other phenotypes of microorganisms. This approach requires a prior knowledge of substrate uptake rates, which is not available for most natural microbes. Here we propose to constrain substrate uptake rates on the basis of microbial kinetics. Specifically, we calculate rates of respiration (and fermentation) using a revised Monod equation; this equation accounts for both the kinetics and thermodynamics of microbial catabolism. Substrate uptake rates are then computed from the rates of respiration, and applied to FBA to predict rates of microbial growth. We implemented this method by linking two software tools, PHREEQC and COBRA Toolbox. We applied this method to acetotrophic methanogenesis by Methanosarcina barkeri, and compared the simulation results to previous laboratory observations. The new method constrains acetate uptake by accounting for the kinetics and thermodynamics of methanogenesis, and predicted well the observations of previous experiments. In comparison, traditional methods of dynamic-FBA constrain acetate uptake on the basis of enzyme kinetics, and failed to reproduce the experimental results. These results show that microbial rate laws may provide a better constraint than enzyme kinetics for applying FBA to biogeochemical reaction modeling.

Sampling with poling-based flux balance analysis: optimal versus sub-optimal flux space analysis of Actinobacillus succinogenes.

PubMed

Binns, Michael; de Atauri, Pedro; Vlysidis, Anestis; Cascante, Marta; Theodoropoulos, Constantinos

2015-02-18

Flux balance analysis is traditionally implemented to identify the maximum theoretical flux for some specified reaction and a single distribution of flux values for all the reactions present which achieve this maximum value. However it is well known that the uncertainty in reaction networks due to branches, cycles and experimental errors results in a large number of combinations of internal reaction fluxes which can achieve the same optimal flux value. In this work, we have modified the applied linear objective of flux balance analysis to include a poling penalty function, which pushes each new set of reaction fluxes away from previous solutions generated. Repeated poling-based flux balance analysis generates a sample of different solutions (a characteristic set), which represents all the possible functionality of the reaction network. Compared to existing sampling methods, for the purpose of generating a relatively "small" characteristic set, our new method is shown to obtain a higher coverage than competing methods under most conditions. The influence of the linear objective function on the sampling (the linear bias) constrains optimisation results to a subspace of optimal solutions all producing the same maximal fluxes. Visualisation of reaction fluxes plotted against each other in 2 dimensions with and without the linear bias indicates the existence of correlations between fluxes. This method of sampling is applied to the organism Actinobacillus succinogenes for the production of succinic acid from glycerol. A new method of sampling for the generation of different flux distributions (sets of individual fluxes satisfying constraints on the steady-state mass balances of intermediates) has been developed using a relatively simple modification of flux balance analysis to include a poling penalty function inside the resulting optimisation objective function. This new methodology can achieve a high coverage of the possible flux space and can be used with and without linear bias to show optimal versus sub-optimal solution spaces. Basic analysis of the Actinobacillus succinogenes system using sampling shows that in order to achieve the maximal succinic acid production CO₂ must be taken into the system. Solutions involving release of CO₂ all give sub-optimal succinic acid production.

Convergence of third order correlation energy in atoms and molecules.

PubMed

Kahn, Kalju; Granovsky, Alex A; Noga, Jozef

2007-01-30

We have investigated the convergence of third order correlation energy within the hierarchies of correlation consistent basis sets for helium, neon, and water, and for three stationary points of hydrogen peroxide. This analysis confirms that singlet pair energies converge much slower than triplet pair energies. In addition, singlet pair energies with (aug)-cc-pVDZ and (aug)-cc-pVTZ basis sets do not follow a converging trend and energies with three basis sets larger than aug-cc-pVTZ are generally required for reliable extrapolations of third order correlation energies, making so the explicitly correlated R12 calculations preferable.

Sensitivity of the Properties of Ruthenium “Blue Dimer” to Method, Basis Set, and Continuum Model

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

Ozkanlar, Abdullah; Clark, Aurora E.

2012-05-23

The ruthenium “blue dimer” [(bpy)2RuIIIOH2]2O4+ is best known as the first well-defined molecular catalyst for water oxidation. It has been subject to numerous computational studies primarily employing density functional theory. However, those studies have been limited in the functionals, basis sets, and continuum models employed. The controversy in the calculated electronic structure and the reaction energetics of this catalyst highlights the necessity of benchmark calculations that explore the role of density functionals, basis sets, and continuum models upon the essential features of blue-dimer reactivity. In this paper, we report Kohn-Sham complete basis set (KS-CBS) limit extrapolations of the electronic structuremore » of “blue dimer” using GGA (BPW91 and BP86), hybrid-GGA (B3LYP), and meta-GGA (M06-L) density functionals. The dependence of solvation free energy corrections on the different cavity types (UFF, UA0, UAHF, UAKS, Bondi, and Pauling) within polarizable and conductor-like polarizable continuum model has also been investigated. The most common basis sets of double-zeta quality are shown to yield results close to the KS-CBS limit; however, large variations are observed in the reaction energetics as a function of density functional and continuum cavity model employed.« less

Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers.

PubMed

Jankowska, Marzena; Kupka, Teobald; Stobiński, Leszek; Faber, Rasmus; Lacerda, Evanildo G; Sauer, Stephan P A

2016-02-05

Hartree-Fock and density functional theory with the hybrid B3LYP and general gradient KT2 exchange-correlation functionals were used for nonrelativistic and relativistic nuclear magnetic shielding calculations of helium, neon, argon, krypton, and xenon dimers and free atoms. Relativistic corrections were calculated with the scalar and spin-orbit zeroth-order regular approximation Hamiltonian in combination with the large Slater-type basis set QZ4P as well as with the four-component Dirac-Coulomb Hamiltonian using Dyall's acv4z basis sets. The relativistic corrections to the nuclear magnetic shieldings and chemical shifts are combined with nonrelativistic coupled cluster singles and doubles with noniterative triple excitations [CCSD(T)] calculations using the very large polarization-consistent basis sets aug-pcSseg-4 for He, Ne and Ar, aug-pcSseg-3 for Kr, and the AQZP basis set for Xe. For the dimers also, zero-point vibrational (ZPV) corrections are obtained at the CCSD(T) level with the same basis sets were added. Best estimates of the dimer chemical shifts are generated from these nuclear magnetic shieldings and the relative importance of electron correlation, ZPV, and relativistic corrections for the shieldings and chemical shifts is analyzed. © 2015 Wiley Periodicals, Inc.

Comparison of one-particle basis set extrapolation to explicitly correlated methods for the calculation of accurate quartic force fields, vibrational frequencies, and spectroscopic constants: Application to H2O, N2H+, NO2+, and C2H2

NASA Astrophysics Data System (ADS)

Huang, Xinchuan; Valeev, Edward F.; Lee, Timothy J.

2010-12-01

One-particle basis set extrapolation is compared with one of the new R12 methods for computing highly accurate quartic force fields (QFFs) and spectroscopic data, including molecular structures, rotational constants, and vibrational frequencies for the H2O, N2H+, NO2+, and C2H2 molecules. In general, agreement between the spectroscopic data computed from the best R12 and basis set extrapolation methods is very good with the exception of a few parameters for N2H+ where it is concluded that basis set extrapolation is still preferred. The differences for H2O and NO2+ are small and it is concluded that the QFFs from both approaches are more or less equivalent in accuracy. For C2H2, however, a known one-particle basis set deficiency for C-C multiple bonds significantly degrades the quality of results obtained from basis set extrapolation and in this case the R12 approach is clearly preferred over one-particle basis set extrapolation. The R12 approach used in the present study was modified in order to obtain high precision electronic energies, which are needed when computing a QFF. We also investigated including core-correlation explicitly in the R12 calculations, but conclude that current approaches are lacking. Hence core-correlation is computed as a correction using conventional methods. Considering the results for all four molecules, it is concluded that R12 methods will soon replace basis set extrapolation approaches for high accuracy electronic structure applications such as computing QFFs and spectroscopic data for comparison to high-resolution laboratory or astronomical observations, provided one uses a robust R12 method as we have done here. The specific R12 method used in the present study, CCSD(T)R12, incorporated a reformulation of one intermediate matrix in order to attain machine precision in the electronic energies. Final QFFs for N2H+ and NO2+ were computed, including basis set extrapolation, core-correlation, scalar relativity, and higher-order correlation and then used to compute highly accurate spectroscopic data for all isotopologues. Agreement with high-resolution experiment for 14N2H+ and 14N2D+ was excellent, but for 14N16O2+ agreement for the two stretching fundamentals is outside the expected residual uncertainty in the theoretical values, and it is concluded that there is an error in the experimental quantities. It is hoped that the highly accurate spectroscopic data presented for the minor isotopologues of N2H+ and NO2+ will be useful in the interpretation of future laboratory or astronomical observations.

Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled?

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

Sylvetsky, Nitai, E-mail: gershom@weizmann.ac.il; Martin, Jan M. L., E-mail: gershom@weizmann.ac.il; Peterson, Kirk A., E-mail: kipeters@wsu.edu

2016-06-07

In the context of high-accuracy computational thermochemistry, the valence coupled cluster with all singles and doubles (CCSD) correlation component of molecular atomization energies presents the most severe basis set convergence problem, followed by the (T) component. In the present paper, we make a detailed comparison, for an expanded version of the W4-11 thermochemistry benchmark, between, on the one hand, orbital-based CCSD/AV{5,6}Z + d and CCSD/ACV{5,6}Z extrapolation, and on the other hand CCSD-F12b calculations with cc-pVQZ-F12 and cc-pV5Z-F12 basis sets. This latter basis set, now available for H–He, B–Ne, and Al–Ar, is shown to be very close to the basis setmore » limit. Apparent differences (which can reach 0.35 kcal/mol for systems like CCl{sub 4}) between orbital-based and CCSD-F12b basis set limits disappear if basis sets with additional radial flexibility, such as ACV{5,6}Z, are used for the orbital calculation. Counterpoise calculations reveal that, while total atomization energies with V5Z-F12 basis sets are nearly free of BSSE, orbital calculations have significant BSSE even with AV(6 + d)Z basis sets, leading to non-negligible differences between raw and counterpoise-corrected extrapolated limits. This latter problem is greatly reduced by switching to ACV{5,6}Z core-valence basis sets, or simply adding an additional zeta to just the valence orbitals. Previous reports that all-electron approaches like HEAT (high-accuracy extrapolated ab-initio thermochemistry) lead to different CCSD(T) limits than “valence limit + CV correction” approaches like Feller-Peterson-Dixon and Weizmann-4 (W4) theory can be rationalized in terms of the greater radial flexibility of core-valence basis sets. For (T) corrections, conventional CCSD(T)/AV{Q,5}Z + d calculations are found to be superior to scaled or extrapolated CCSD(T)-F12b calculations of similar cost. For a W4-F12 protocol, we recommend obtaining the Hartree-Fock and valence CCSD components from CCSD-F12b/cc-pV{Q,5}Z-F12 calculations, but the (T) component from conventional CCSD(T)/aug’-cc-pV{Q,5}Z + d calculations using Schwenke’s extrapolation; post-CCSD(T), core-valence, and relativistic corrections are to be obtained as in the original W4 theory. W4-F12 is found to agree slightly better than W4 with ATcT (active thermochemical tables) data, at a substantial saving in computation time and especially I/O overhead. A W4-F12 calculation on benzene is presented as a proof of concept.« less

Rethinking balance and impartiality in journalism? How the BBC attempted and failed to change the paradigm

PubMed Central

Wahl-Jorgensen, Karin; Berry, Mike; Garcia-Blanco, Iñaki; Bennett, Lucy; Cable, Jonathan

2016-01-01

This article reconsiders the concepts of balance and impartiality in journalism, in the context of a quantitative content analysis of sourcing patterns in BBC news programming on radio, television and online in 2007 and 2012. Impartiality is the cornerstone of principles of public service broadcasting at the BBC and other broadcasters modelled on it. However, the article suggests that in the case of the BBC, it is principally put into practice through juxtaposing the positions of the two main political parties – Conservative and Labour. On this basis, the article develops the idea of the ‘paradigm of impartiality-as-balance.’ This paradigm prevails despite the news organisation’s commitment to representing a broader range of opinion. The paradigm of impartiality-as-balance means that only a narrow range of views and voices are heard on the most contentious and important issues. Further, it results in reporting that focuses on party-political conflict, to the detriment of a journalism which provides much-needed context. PMID:29278243

Supergenes and their role in evolution.

PubMed

Thompson, M J; Jiggins, C D

2014-07-01

Adaptation is commonly a multidimensional problem, with changes in multiple traits required to match a complex environment. This is epitomized by balanced polymorphisms in which multiple phenotypes co-exist and are maintained in a population by a balance of selective forces. Consideration of such polymorphisms led to the concept of the supergene, where alternative phenotypes in a balanced polymorphism segregate as if controlled by a single genetic locus, resulting from tight genetic linkage between multiple functional loci. Recently, the molecular basis for several supergenes has been resolved. Thus, major chromosomal inversions have been shown to be associated with polymorphisms in butterflies, ants and birds, offering a mechanism for localised reduction in recombination. In several examples of plant self-incompatibility, the functional role of multiple elements within the supergene architecture has been demonstrated, conclusively showing that balanced polymorphism can be maintained at multiple coadapted and tightly linked elements. Despite recent criticism, we argue that the supergene concept remains relevant and is more testable than ever with modern molecular methods.

Rethinking balance and impartiality in journalism? How the BBC attempted and failed to change the paradigm.

PubMed

Wahl-Jorgensen, Karin; Berry, Mike; Garcia-Blanco, Iñaki; Bennett, Lucy; Cable, Jonathan

2017-08-01

This article reconsiders the concepts of balance and impartiality in journalism, in the context of a quantitative content analysis of sourcing patterns in BBC news programming on radio, television and online in 2007 and 2012. Impartiality is the cornerstone of principles of public service broadcasting at the BBC and other broadcasters modelled on it. However, the article suggests that in the case of the BBC, it is principally put into practice through juxtaposing the positions of the two main political parties - Conservative and Labour. On this basis, the article develops the idea of the 'paradigm of impartiality-as-balance.' This paradigm prevails despite the news organisation's commitment to representing a broader range of opinion. The paradigm of impartiality-as-balance means that only a narrow range of views and voices are heard on the most contentious and important issues. Further, it results in reporting that focuses on party-political conflict, to the detriment of a journalism which provides much-needed context.

Performance Evaluation of Extension Education Centers in Universities Based on the Balanced Scorecard

ERIC Educational Resources Information Center

Wu, Hung-Yi; Lin, Yi-Kuei; Chang, Chi-Hsiang

2011-01-01

This study aims at developing a set of appropriate performance evaluation indices mainly based on balanced scorecard (BSC) for extension education centers in universities by utilizing multiple criteria decision making (MCDM). Through literature reviews and experts who have real practical experiences in extension education, adequate performance…

7 CFR 3052.205 - Basis for determining Federal awards expended.

Code of Federal Regulations, 2010 CFR

2010-01-01

... this part, loans made from the National Credit Union Share Insurance Fund and the Central Liquidity..., cooperative agreements, and direct appropriations; the disbursement of funds passed through to subrecipients... repay the loans. (e) Endowment funds. The cumulative balance of Federal awards for endowment funds which...

20 CFR 345.401 - General rule.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 20 Employees' Benefits 1 2010-04-01 2010-04-01 false General rule. 345.401 Section 345.401... EMPLOYERS' CONTRIBUTIONS AND CONTRIBUTION REPORTS Benefit Charging § 345.401 General rule. Effective January... the basis of a claim for benefits to that employee's base year employer's cumulative benefit balance...

Six weeks of unsupervised Nintendo Wii Fit gaming is effective at improving balance in independent older adults.

PubMed

Nicholson, Vaughan Patrick; McKean, Mark; Lowe, John; Fawcett, Christine; Burkett, Brendan

2015-01-01

To determine the effectiveness of unsupervised Nintendo Wii Fit balance training in older adults. Forty-one older adults were recruited from local retirement villages and educational settings to participate in a six-week two-group repeated measures study. The Wii group (n = 19, 75 ± 6 years) undertook 30 min of unsupervised Wii balance gaming three times per week in their retirement village while the comparison group (n = 22, 74 ± 5 years) continued with their usual exercise program. Participants' balance abilities were assessed pre- and postintervention. The Wii Fit group demonstrated significant improvements (P < .05) in timed up-and-go, left single-leg balance, lateral reach (left and right), and gait speed compared with the comparison group. Reported levels of enjoyment following game play increased during the study. Six weeks of unsupervised Wii balance training is an effective modality for improving balance in independent older adults.

A converged calculation of the energy barrier to internal rotation in the ethylene-sulfur dioxide dimer

NASA Astrophysics Data System (ADS)

Resende, Stella M.; De Almeida, Wagner B.; van Duijneveldt-van de Rijdt, Jeanne G. C. M.; van Duijneveldt, Frans B.

2001-08-01

Geometrical parameters for the equilibrium (MIN) and lowest saddle-point (TS) geometries of the C2H4⋯SO2 dimer, and the corresponding binding energies, were calculated using the Hartree-Fock and correlated levels of ab initio theory, in basis sets ranging from the D95(d,p) double-zeta basis set to the aug-cc-pVQZ correlation consistent basis set. An assessment of the effect of the basis set superposition error (BSSE) on these results was made. The dissociation energy from the lowest vibrational state was estimated to be 705±100 cm-1 at the basis set limit, which is well within the range expected from experiment. The barrier to internal rotation was found to be 53±5 cm-1, slightly higher than the (revised) experimental result of 43 cm-1, probably due to zero-point vibrational effects. Our results clearly show that, in direct contrast with recent ideas, the BSSE correction affects differentially the MIN and TS binding energies and so has to be included in the calculation of small energy barriers such as that in the C2H4⋯SO2 dimer. Previous reports of positive MP2 frozen-core binding energies for this complex in basis D95(d,p) are confirmed. The anomalies are shown to be an artifact arising from an incorrect removal of virtual orbitals by the default frozen-core option in the GAUSSIAN program.

Impairments in static standing balance are highly prevalent among older adults receiving home-based physical therapy.

PubMed

Bohannon, Richard W

2012-01-01

Measures of balance are an important component of the physical therapist examination. This study investigated the usefulness of timed static stance durations for identifying balance impairments among patients receiving home-based physical therapy. This study involved the retrospective retrieval of data from the records of 48 patients at least 60 years of age. Their balance was measured under 3 foot configurations; that is, feet apart, feet together, and on each foot. Every patient demonstrated impaired standing balance. Most, but not all could balance 30 seconds with the feet apart or together. Only 19 could maintain balance on each of both feet. Of those who could so balance, none was able to achieve the average time of normal individuals of comparable age. Although not able to identify all aspects of balance, timed durations of stance under different configurations demonstrate a high prevalence of balance impairments among patients receiving home-based physical therapy. As the tests are objective, fast, and require little space, they can be advocated in such a setting.

Reducing fall risk by improving balance control: development, evaluation and knowledge-translation of new approaches.

PubMed

Maki, Brian E; Sibley, Katherine M; Jaglal, Susan B; Bayley, Mark; Brooks, Dina; Fernie, Geoff R; Flint, Alastair J; Gage, William; Liu, Barbara A; McIlroy, William E; Mihailidis, Alex; Perry, Stephen D; Popovic, Milos R; Pratt, Jay; Zettel, John L

2011-12-01

Falling is a leading cause of serious injury, loss of independence, and nursing-home admission in older adults. Impaired balance control is a major contributing factor. Results from our balance-control studies have been applied in the development of new and improved interventions and assessment tools. Initiatives to facilitate knowledge-translation of this work include setting up a new network of balance clinics, a research-user network and a research-user advisory board. Our findings support the efficacy of the developed balance-training methods, balance-enhancing footwear, neuro-prosthesis, walker design, handrail-cueing system, and handrail-design recommendations in improving specific aspects of balance control. IMPACT ON KNOWLEDGE USERS: A new balance-assessment tool has been implemented in the first new balance clinic, a new balance-enhancing insole is available through pharmacies and other commercial outlets, and handrail design recommendations have been incorporated into 10 Canadian and American building codes. Work in progress is expected to have further impact. Copyright © 2011 National Safety Council and Elsevier Ltd. All rights reserved.

Assessment and Rehabilitation of Central Sensory Impairments for Balance in mTBI

DTIC Science & Technology

2016-10-01

place; 95% complete. ● Purchasing and testing software of Opals ; awaiting release of newer, updated sensor from APDM to determine need for more sensors...2016. ● Develop new algorithm to automatically quantify head movements from Opal sensor; 100% complete 23-Sep-2016. ● Set up and test gait paradigm...Interaction in Balance (mCTSIB), Modified Balance Error Scoring System (mBESS) and walking tests, subjects wear five Opal inertial sensors (APDM, Inc

Combining evidence and values in priority setting: testing the balance sheet method in a low-income country.

PubMed

Makundi, Emmanuel; Kapiriri, Lydia; Norheim, Ole Frithjof

2007-09-24

Procedures for priority setting need to incorporate both scientific evidence and public values. The aim of this study was to test out a model for priority setting which incorporates both scientific evidence and public values, and to explore use of evidence by a selection of stakeholders and to study reasons for the relative ranking of health care interventions in a setting of extreme resource scarcity. Systematic search for and assessment of relevant evidence for priority setting in a low-income country. Development of a balance sheet according to Eddy's explicit method. Eight group interviews (n-85), using a modified nominal group technique for eliciting individual and group rankings of a given set of health interventions. The study procedure made it possible to compare the groups' ranking before and after all the evidence was provided to participants. A rank deviation is significant if the rank order of the same intervention differed by two or more points on the ordinal scale. A comparison between the initial rank and the final rank (before deliberation) showed a rank deviation of 67%. The difference between the initial rank and the final rank after discussion and voting gave a rank deviation of 78%. Evidence-based and deliberative decision-making does change priorities significantly in an experimental setting. Our use of the balance sheet method was meant as a demonstration project, but could if properly developed be feasible for health planners, experts and health workers, although more work is needed before it can be used for laypersons.

Achieving Work-Life Balance in the National Collegiate Athletic Association Division I Setting, Part II: Perspectives From Head Athletic Trainers

PubMed Central

Goodman, Ashley; Mazerolle, Stephanie M.; Pitney, William A.

2015-01-01

Context: Work-life balance has been examined at the collegiate level from multiple perspectives except for the athletic trainer (AT) serving in a managerial or leadership role. Objective: To investigate challenges and strategies used in achieving work-life balance from the perspective of the head AT at a National Collegiate Athletic Association Division I university. Design: Qualitative study. Setting: Web-based management system. Patients or Other Participants: A total of 18 head ATs (13 men, 5 women; age = 44 ± 8 years, athletic training experience = 22 ± 7 years) volunteered. Data Collection and Analysis: Participants journaled their thoughts and experiences in response to a series of questions. To establish data credibility, we included multiple-analyst triangulation, stakeholder checks, and peer review. We used a general inductive approach to analyze the data. Results: Two higher-order themes emerged from our analysis of the data: organizational challenges and work-life balance strategies. The organizational challenges theme contained 2 lower-order themes: lack of autonomy and role demands. The work-life balance strategies theme contained 3 lower-order themes: prioritization of commitments, strategic boundary setting, and work-family integration. Conclusions: Head ATs are susceptible to experiencing work-life imbalance just as ATs in nonsupervisory roles are. Although not avoidable, the causes are manageable. Head ATs are encouraged to prioritize their personal time, make efforts to spend time away from their demanding positions, and reduce the number of additional responsibilities that can impede time available to spend away from work. PMID:25098746

Automated gait and balance parameters diagnose and correlate with severity in Parkinson disease.

PubMed

Dewey, D Campbell; Miocinovic, Svjetlana; Bernstein, Ira; Khemani, Pravin; Dewey, Richard B; Querry, Ross; Chitnis, Shilpa; Dewey, Richard B

2014-10-15

To assess the suitability of instrumented gait and balance measures for diagnosis and estimation of disease severity in PD. Each subject performed iTUG (instrumented Timed-Up-and-Go) and iSway (instrumented Sway) using the APDM(®) Mobility Lab. MDS-UPDRS parts II and III, a postural instability and gait disorder (PIGD) score, the mobility subscale of the PDQ-39, and Hoehn & Yahr stage were measured in the PD cohort. Two sets of gait and balance variables were defined by high correlation with diagnosis or disease severity and were evaluated using multiple linear and logistic regressions, ROC analyses, and t-tests. 135 PD subjects and 66 age-matched controls were evaluated in this prospective cohort study. We found that both iTUG and iSway variables differentiated PD subjects from controls (area under the ROC curve was 0.82 and 0.75 respectively) and correlated with all PD severity measures (R(2) ranging from 0.18 to 0.61). Objective exam-based scores correlated more strongly with iTUG than iSway. The chosen set of iTUG variables was abnormal in very mild disease. Age and gender influenced gait and balance parameters and were therefore controlled in all analyses. Our study identified sets of iTUG and iSway variables which correlate with PD severity measures and differentiate PD subjects from controls. These gait and balance measures could potentially serve as markers of PD progression and are under evaluation for this purpose in the ongoing NIH Parkinson Disease Biomarker Program. Copyright © 2014 Elsevier B.V. All rights reserved.

Automated Gait and Balance Parameters Diagnose and Correlate with Severity in Parkinson Disease

PubMed Central

Dewey, Daniel C.; Miocinovic, Svjetlana; Bernstein, Ira; Khemani, Pravin; Dewey, Richard B.; Querry, Ross; Chitnis, Shilpa; Dewey, Richard B.

2014-01-01

Objective To assess the suitability of instrumented gait and balance measures for diagnosis and estimation of disease severity in PD. Methods Each subject performed iTUG (instrumented Timed-Up-and-Go) and iSway (instrumented Sway) using the APDM® Mobility Lab. MDS-UPDRS parts II and III, a postural instability and gait disorder (PIGD) score, the mobility subscale of the PDQ-39, and Hoehn & Yahr stage were measured in the PD cohort. Two sets of gait and balance variables were defined by high correlation with diagnosis or disease severity and were evaluated using multiple linear and logistic regressions, ROC analyses, and t-tests. Results 135 PD subjects and 66 age-matched controls were evaluated in this prospective cohort study. We found that both iTUG and iSway variables differentiated PD subjects from controls (area under the ROC curve was 0.82 and 0.75 respectively) and correlated with all PD severity measures (R2 ranging from 0.18 to 0.61). Objective exam-based scores correlated more strongly with iTUG than iSway. The chosen set of iTUG variables was abnormal in very mild disease. Age and gender influenced gait and balance parameters and were therefore controlled in all analyses. Interpretation Our study identified sets of iTUG and iSway variables which correlate with PD severity measures and differentiate PD subjects from controls. These gait and balance measures could potentially serve as markers of PD progression and are under evaluation for this purpose in the ongoing NIH Parkinson Disease Biomarker Program. PMID:25082782

Comparative Effects of Different Balance-Training–Progression Styles on Postural Control and Ankle Force Production: A Randomized Controlled Trial

PubMed Central

Cuğ, Mutlu; Duncan, Ashley; Wikstrom, Erik

2016-01-01

Context:  Despite the effectiveness of balance training, the exact parameters needed to maximize the benefits of such programs remain unknown. One such factor is how individuals should progress to higher levels of task difficulty within a balance-training program. Yet no investigators have directly compared different balance-training–progression styles. Objective:  To compare an error-based progression (ie, advance when proficient at a task) with a repetition-based progression (ie, advance after a set amount of repetitions) style during a balance-training program in healthy individuals. Design:  Randomized controlled trial. Setting:  Research laboratory. Patients or Other Participants:  A total of 28 (16 women, 12 men) physically healthy young adults (age = 21.57 ± 3.95 years, height = 171.60 ± 11.03 cm, weight = 72.96 ± 16.18 kg, body mass index = 24.53 ± 3.7). Intervention(s):  All participants completed 12 supervised balance-training sessions over 4 weeks. Each session consisted of a combination of dynamic unstable-surface tasks that incorporated a BOSU ball and lasted about 30 minutes. Main Outcome Measure(s):  Static balance from an instrumented force plate, dynamic balance as measured via the Star Excursion Balance Test, and ankle force production in all 4 cardinal planes of motion as measured with a handheld dynamometer before and after the intervention. Results:  Selected static postural-control outcomes, dynamic postural control, and ankle force production in all planes of motion improved (P < .05). However, no differences between the progression styles were observed (P > .05) for any of the outcome measures. Conclusions:  A 4-week balance-training program consisting of dynamic unstable-surface exercises on a BOSU ball improved dynamic postural control and ankle force production in healthy young adults. These results suggest that an error-based balance-training program is comparable with but not superior to a repetition-based balance-training program in improving postural control and ankle force production in healthy young adults. PMID:26878257

Enhancement of NRC station blackout requirements for nuclear power plants

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

McConnell, M. W.

2012-07-01

The U.S. Nuclear Regulatory Commission (NRC) established a Near-Term Task Force (NTTF) in response to Commission direction to conduct a systematic and methodical review of NRC processes and regulations to determine whether the agency should make additional improvements to its regulatory system and to make recommendations to the Commission for its policy direction, in light of the accident at the Fukushima Dai-ichi Nuclear Power Plant. The NTTF's review resulted in a set of recommendations that took a balanced approach to defense-in-depth as applied to low-likelihood, high-consequence events such as prolonged station blackout (SBO) resulting from severe natural phenomena. Part 50,more » Section 63, of Title 10 of the Code of Federal Regulations (CFR), 'Loss of All Alternating Current Power,' currently requires that each nuclear power plant must be able to cool the reactor core and maintain containment integrity for a specified duration of an SBO. The SBO duration and mitigation strategy for each nuclear power plant is site specific and is based on the robustness of the local transmission system and the transmission system operator's capability to restore offsite power to the nuclear power plant. With regard to SBO, the NTTF recommended that the NRC strengthen SBO mitigation capability at all operating and new reactors for design-basis and beyond-design-basis external events. The NTTF also recommended strengthening emergency preparedness for prolonged SBO and multi-unit events. These recommendations, taken together, are intended to clarify and strengthen US nuclear reactor safety regarding protection against and mitigation of the consequences of natural disasters and emergency preparedness during SBO. The focus of this paper is on the existing SBO requirements and NRC initiatives to strengthen SBO capability at all operating and new reactors to address prolonged SBO stemming from design-basis and beyond-design-basis external events. The NRC initiatives are intended to enhance core and spent fuel pool cooling, reactor coolant system integrity, and containment integrity. (authors)« less

Firn Thickness Changes (1982-2015) Driven by SMB from MERRA-2, RACMO2.3, ERA-Int and AVHRR Surface Temperature and the Impacts to Greenland Ice Sheet Mass Balance

NASA Astrophysics Data System (ADS)

Li, J.; Medley, B.; Neumann, T.; Smith, B. E.; Luthcke, S. B.; Zwally, H. J.

2016-12-01

Surface mass balance (SMB) data are essential in the derivation of ice sheet mass balance. This is because ice sheet mass change consists of short-term and long-term variations. The short-term variations are directly given by the SMB data. For altimetry based ice sheet mass balance studies, these short-term mass changes are converted to firn thickness changes by using a firn densification-elevation model, and then the variations are subtracted from the altimetry measurements to give the long-term ice thickness changes that are associated with the density of ice. So far various SMB data sets such as ERA-Interim, RACMO and MERRA are available and some have been widely used in large number of ice sheet mass balance studies. However theses data sets exhibit the clear discrepancies in both random and systematic manner. In this study, we use our time dependent firn densification- elevation model, driven by the SMB data from MERRA-2, RACMO2.3 and ERA-Int for the period of 1982-2015 and the temperature variations from AVHRR for the same period to examine the corresponding firn thickness variations and the impacts to the mass changes over the Greenland ice sheet. The model was initialized with the1980's climate. Our results show that the relative smaller (centimeter level) differences in the firn thickness driven by the different data set occur at the early stage (1980's) of the model run. As the time progressing, the discrepancies between the SMB data sets accumulate, and the corresponding firn thickness differences quickly become larger with the value > 2m at the end of the period. Although the overall rates for the whole period driven by each of the three data sets are small ranging -0.2 - 0.2 cm a-1 (-3.0-2.7 Gt a-1), the decadal rates can vary greatly with magnitude > 3 cm a-1 and the impact to the Greenland mass change exceeds 30 Gt a-1.

Activity Settings and Daily Routines in Preschool Classrooms: Diverse Experiences in Early Learning Settings for Low-Income Children.

PubMed

Fuligni, Allison Sidle; Howes, Carollee; Huang, Yiching; Hong, Sandra Soliday; Lara-Cinisomo, Sandraluz

2012-06-01

This paper examines activity settings and daily classroom routines experienced by 3- and 4-year-old low-income children in public center-based preschool programs, private center-based programs, and family child care homes. Two daily routine profiles were identified using a time-sampling coding procedure: a High Free-Choice pattern in which children spent a majority of their day engaged in child-directed free-choice activity settings combined with relatively low amounts of teacher-directed activity, and a Structured-Balanced pattern in which children spent relatively equal proportions of their day engaged in child-directed free-choice activity settings and teacher-directed small- and whole-group activities. Daily routine profiles were associated with program type and curriculum use but not with measures of process quality. Children in Structured-Balanced classrooms had more opportunities to engage in language and literacy and math activities, whereas children in High Free-Choice classrooms had more opportunities for gross motor and fantasy play. Being in a Structured-Balanced classroom was associated with children's language scores but profiles were not associated with measures of children's math reasoning or socio-emotional behavior. Consideration of teachers' structuring of daily routines represents a valuable way to understand nuances in the provision of learning experiences for young children in the context of current views about developmentally appropriate practice and school readiness.

Activity Settings and Daily Routines in Preschool Classrooms: Diverse Experiences in Early Learning Settings for Low-Income Children

PubMed Central

Fuligni, Allison Sidle; Howes, Carollee; Huang, Yiching; Hong, Sandra Soliday; Lara-Cinisomo, Sandraluz

2011-01-01

This paper examines activity settings and daily classroom routines experienced by 3- and 4-year-old low-income children in public center-based preschool programs, private center-based programs, and family child care homes. Two daily routine profiles were identified using a time-sampling coding procedure: a High Free-Choice pattern in which children spent a majority of their day engaged in child-directed free-choice activity settings combined with relatively low amounts of teacher-directed activity, and a Structured-Balanced pattern in which children spent relatively equal proportions of their day engaged in child-directed free-choice activity settings and teacher-directed small- and whole-group activities. Daily routine profiles were associated with program type and curriculum use but not with measures of process quality. Children in Structured-Balanced classrooms had more opportunities to engage in language and literacy and math activities, whereas children in High Free-Choice classrooms had more opportunities for gross motor and fantasy play. Being in a Structured-Balanced classroom was associated with children’s language scores but profiles were not associated with measures of children’s math reasoning or socio-emotional behavior. Consideration of teachers’ structuring of daily routines represents a valuable way to understand nuances in the provision of learning experiences for young children in the context of current views about developmentally appropriate practice and school readiness. PMID:22665945

The Automated Assessment of Postural Stability: Balance Detection Algorithm.

PubMed

Napoli, Alessandro; Glass, Stephen M; Tucker, Carole; Obeid, Iyad

2017-12-01

Impaired balance is a common indicator of mild traumatic brain injury, concussion and musculoskeletal injury. Given the clinical relevance of such injuries, especially in military settings, it is paramount to develop more accurate and reliable on-field evaluation tools. This work presents the design and implementation of the automated assessment of postural stability (AAPS) system, for on-field evaluations following concussion. The AAPS is a computer system, based on inexpensive off-the-shelf components and custom software, that aims to automatically and reliably evaluate balance deficits, by replicating a known on-field clinical test, namely, the Balance Error Scoring System (BESS). The AAPS main innovation is its balance error detection algorithm that has been designed to acquire data from a Microsoft Kinect ® sensor and convert them into clinically-relevant BESS scores, using the same detection criteria defined by the original BESS test. In order to assess the AAPS balance evaluation capability, a total of 15 healthy subjects (7 male, 8 female) were required to perform the BESS test, while simultaneously being tracked by a Kinect 2.0 sensor and a professional-grade motion capture system (Qualisys AB, Gothenburg, Sweden). High definition videos with BESS trials were scored off-line by three experienced observers for reference scores. AAPS performance was assessed by comparing the AAPS automated scores to those derived by three experienced observers. Our results show that the AAPS error detection algorithm presented here can accurately and precisely detect balance deficits with performance levels that are comparable to those of experienced medical personnel. Specifically, agreement levels between the AAPS algorithm and the human average BESS scores ranging between 87.9% (single-leg on foam) and 99.8% (double-leg on firm ground) were detected. Moreover, statistically significant differences in balance scores were not detected by an ANOVA test with alpha equal to 0.05. Despite some level of disagreement between human and AAPS-generated scores, the use of an automated system yields important advantages over currently available human-based alternatives. These results underscore the value of using the AAPS, that can be quickly deployed in the field and/or in outdoor settings with minimal set-up time. Finally, the AAPS can record multiple error types and their time course with extremely high temporal resolution. These features are not achievable by humans, who cannot keep track of multiple balance errors with such a high resolution. Together, these results suggest that computerized BESS calculation may provide more accurate and consistent measures of balance than those derived from human experts.

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

Slattery, Stuart R.

In this study we analyze and extend mesh-free algorithms for three-dimensional data transfer problems in partitioned multiphysics simulations. We first provide a direct comparison between a mesh-based weighted residual method using the common-refinement scheme and two mesh-free algorithms leveraging compactly supported radial basis functions: one using a spline interpolation and one using a moving least square reconstruction. Through the comparison we assess both the conservation and accuracy of the data transfer obtained from each of the methods. We do so for a varying set of geometries with and without curvature and sharp features and for functions with and without smoothnessmore » and with varying gradients. Our results show that the mesh-based and mesh-free algorithms are complementary with cases where each was demonstrated to perform better than the other. We then focus on the mesh-free methods by developing a set of algorithms to parallelize them based on sparse linear algebra techniques. This includes a discussion of fast parallel radius searching in point clouds and restructuring the interpolation algorithms to leverage data structures and linear algebra services designed for large distributed computing environments. The scalability of our new algorithms is demonstrated on a leadership class computing facility using a set of basic scaling studies. Finally, these scaling studies show that for problems with reasonable load balance, our new algorithms for both spline interpolation and moving least square reconstruction demonstrate both strong and weak scalability using more than 100,000 MPI processes with billions of degrees of freedom in the data transfer operation.« less

A Reconciled Estimate of Ice-Sheet Mass Balance

NASA Technical Reports Server (NTRS)

Shepherd, Andrew; Ivins, Erik R.; Geruo, A.; Barletta, Valentia R.; Bentley, Mike J.; Bettadpur, Srinivas; Briggs, Kate H.; Bromwich, David H.; Forsberg, Rene; Galin, Natalia;

Balance, Basic Anthropometrics and Performance in Young Alpine Skiers; Longitudinal Analysis of the Associations During two Competitive Seasons

PubMed Central

Lesnik, Blaz; Sekulic, Damir; Supej, Matej; Esco, Michael R; Zvan, Milan

2017-01-01

Abstract Balance is hypothesized to be important in alpine skiing, while it is known that balance depends on anthropometric indices. The aim of this investigation was to explore the association between balance, anthropometrics and skiing-results over two competitive seasons among youth alpine-skiers. Eighty-one skiers (40 females) participated in this study. The participants were tested twice over two competitive seasons: when they were 12-13 years old (U14) and when they were 14-15 years old (U16). The variables consisted of anthropometrics (body height and body mass) and three balance indexes (medio-lateral-, anterio-posterior- and overall-stability-index). Additionally, skiing results in U14 and U16 were evaluated. The balance status did not change significantly over the observed period of time regardless of the significant changes in body mass and height. The relationships between balance and skiing results were higher in the U14 (Pearson’s r = 0.45-0.54) than in the U16 (Pearson’s r = 0.05-0.28). The relationships between anthropometrics and competitive results were generally stronger in girls (Pearson’s r = 0.39-0.88) than in boys (Pearson’s r = 0.26-0.58). After clustering athletes into three achievement groups on a basis of their competitive performance, discriminant canonical analysis showed that relationships between balance and skiing results decreased, while the relationships between anthropometrics and skiing results increased over the two observed seasons. This study highlighted the importance of balance in youth alpine skiing in the age range of 11-14 years. PMID:28713454

Balance, Basic Anthropometrics and Performance in Young Alpine Skiers; Longitudinal Analysis of the Associations During two Competitive Seasons.

PubMed

Lesnik, Blaz; Sekulic, Damir; Supej, Matej; Esco, Michael R; Zvan, Milan

2017-06-01

Balance is hypothesized to be important in alpine skiing, while it is known that balance depends on anthropometric indices. The aim of this investigation was to explore the association between balance, anthropometrics and skiing-results over two competitive seasons among youth alpine-skiers. Eighty-one skiers (40 females) participated in this study. The participants were tested twice over two competitive seasons: when they were 12-13 years old (U14) and when they were 14-15 years old (U16). The variables consisted of anthropometrics (body height and body mass) and three balance indexes (medio-lateral-, anterio-posterior- and overall-stability-index). Additionally, skiing results in U14 and U16 were evaluated. The balance status did not change significantly over the observed period of time regardless of the significant changes in body mass and height. The relationships between balance and skiing results were higher in the U14 (Pearson's r = 0.45-0.54) than in the U16 (Pearson's r = 0.05-0.28). The relationships between anthropometrics and competitive results were generally stronger in girls (Pearson's r = 0.39-0.88) than in boys (Pearson's r = 0.26-0.58). After clustering athletes into three achievement groups on a basis of their competitive performance, discriminant canonical analysis showed that relationships between balance and skiing results decreased, while the relationships between anthropometrics and skiing results increased over the two observed seasons. This study highlighted the importance of balance in youth alpine skiing in the age range of 11-14 years.

Trends in ice sheet mass balance, 1992 to 2017

NASA Astrophysics Data System (ADS)

Shepherd, A.; Ivins, E. R.; Smith, B.; Velicogna, I.; Whitehouse, P. L.; Rignot, E. J.; van den Broeke, M. R.; Briggs, K.; Hogg, A.; Krinner, G.; Joughin, I. R.; Nowicki, S.; Payne, A. J.; Scambos, T.; Schlegel, N.; Moyano, G.; Konrad, H.

2017-12-01

The Ice Sheet Mass Balance Inter-Comparison Exercise (IMBIE) is a community effort, jointly supported by ESA and NASA, that aims to provide a consensus estimate of ice sheet mass balance from satellite gravimetry, altimetry and mass budget assessments, on an annual basis. The project has five experiment groups, one for each of the satellite techniques and two others to analyse surface mass balance (SMB) and glacial isostatic adjustment (GIA). The basic premise for the exercise is that individual ice sheet mass balance datasets are generated by project participants using common spatial and temporal domains to allow meaningful inter-comparison, and this controlled comparison in turn supports aggregation of the individual datasets over their full period. Participation is open to the full community, and the quality and consistency of submissions is regulated through a series of data standards and documentation requirements. The second phase of IMBIE commenced in 2015, with participant data submitted in 2016 and a combined estimate due for public release in 2017. Data from 48 participant groups were submitted to one of the three satellite mass balance technique groups or to the ancillary dataset groups. The individual mass balance estimates and ancillary datasets have been compared and combined within the respective groups. Following this, estimates of ice sheet mass balance derived from the individual techniques were then compared and combined. The result is single estimates of ice sheet mass balance for Greenland, East Antarctica, West Antarctica, and the Antarctic Peninsula. The participants, methodology and results of the exercise will be presented in this paper.

Balanced identity in the minimal groups paradigm.

PubMed

Dunham, Yarrow

2013-01-01

Balanced Identity Theory [1] formalizes a set of relationships between group attitude, group identification, and self-esteem. While these relationships have been demonstrated for familiar and highly salient social categories, questions remain regarding the generality of the balance phenomenon and its causal versus descriptive status. Supporting the generality and rapidity of cognitive balance, four studies demonstrate that the central predictions of balance are supported even for previously unfamiliar "minimal" social groups to which participants have just been randomly assigned. Further, supporting a causal as opposed to merely descriptive interpretation, manipulating any one component of the balance model (group attitude, group identification, or self-esteem) affects at least one of the related components. Interestingly, the broader pattern of cognitive balance was preserved across such manipulations only when the manipulation strengthens as opposes to weakens the manipulated construct. Taken together, these findings indicate that Balanced Identity Theory has promise as a general theory of intergroup attitudes, and that it may be able to shed light on prior inconsistencies concerning the relationship between self-esteem and intergroup bias.

Clinical balance assessment: perceptions of commonly-used standardized measures and current practices among physiotherapists in Ontario, Canada

PubMed Central

2013-01-01

Background Balance impairment is common in multiple clinical populations, and comprehensive assessment is important for identifying impairments, planning individualized treatment programs, and evaluating change over time. However, little information is available regarding whether clinicians who treat balance are satisfied with existing assessment tools. In 2010 we conducted a cross-sectional survey of balance assessment practices among physiotherapists in Ontario, Canada, and reported on the use of standardized balance measures (Sibley et al. 2011 Physical Therapy; 91: 1583-91). The purpose of this study was to analyse additional survey data and i) evaluate satisfaction with current balance assessment practices and standardized measures among physiotherapists who treat adult or geriatric populations with balance impairment, and ii) identify factors associated with satisfaction. Methods The questionnaire was distributed to 1000 practicing physiotherapists. This analysis focuses on questions in which respondents were asked to rate their general perceptions about balance assessment, the perceived utility of individual standardized balance measures, whether they wanted to improve balance assessment practices, and why. Data were summarized with descriptive statistics and utility of individual measures was compared across clinical practice areas (orthopaedic, neurological, geriatric or general rehabilitation). Results The questionnaire was completed by 369 respondents, of which 43.4% of respondents agreed that existing standardized measures of balance meet their needs. In ratings of individual measures, the Single Leg Stance test and Berg Balance Scale were perceived as useful for clinical decision-making and evaluating change over time by over 70% of respondents, and the Timed Up-and-Go test was perceived as useful for decision-making by 56.9% of respondents and useful for evaluating change over time by 62.9% of respondents, but there were significant differences across practice groups. Seventy-nine percent of respondents wanted to improve their assessments, identifying individual, environmental and measure-specific barriers. The most common barriers were lack of time and knowledge. Conclusions This study offers new information on issues affecting the evaluation of balance in clinical settings from a broad sample of physiotherapists. Continued work to address barriers by specific practice area will be critical for the success of any intervention attempting to implement optimal balance assessment practices in the clinical setting. PMID:23510277

Interpreting lateral dynamic weight shifts using a simple inverted pendulum model.

PubMed

Kennedy, Michael W; Bretl, Timothy; Schmiedeler, James P

2014-01-01

Seventy-five young, healthy adults completed a lateral weight-shifting activity in which each shifted his/her center of pressure (CoP) to visually displayed target locations with the aid of visual CoP feedback. Each subject's CoP data were modeled using a single-link inverted pendulum system with a spring-damper at the joint. This extends the simple inverted pendulum model of static balance in the sagittal plane to lateral weight-shifting balance. The model controlled pendulum angle using PD control and a ramp setpoint trajectory, and weight-shifting was characterized by both shift speed and a non-minimum phase (NMP) behavior metric. This NMP behavior metric examines the force magnitude at shift initiation and provides weight-shifting balance performance information that parallels the examination of peak ground reaction forces in gait analysis. Control parameters were optimized on a subject-by-subject basis to match balance metrics for modeled results to metric values calculated from experimental data. Overall, the model matches experimental data well (average percent error of 0.35% for shifting speed and 0.05% for NMP behavior). These results suggest that the single-link inverted pendulum model can be used effectively to capture lateral weight-shifting balance, as it has been shown to model static balance. Copyright © 2014 Elsevier B.V. All rights reserved.

Effects of virtual reality training using Nintendo Wii and treadmill walking exercise on balance and walking for stroke patients.

PubMed

Bang, Yo-Soon; Son, Kyung Hyun; Kim, Hyun Jin

2016-11-01

[Purpose] The purpose of this study is to investigate the effects of virtual reality training using Nintendo Wii on balance and walking for stroke patients. [Subjects and Methods] Forty stroke patients with stroke were randomly divided into two exercise program groups: virtual reality training (n=20) and treadmill (n=20). The subjects underwent their 40-minute exercise program three times a week for eight weeks. Their balance and walking were measured before and after the complete program. We measured the left/right weight-bearing and the anterior/posterior weight-bearing for balance, as well as stance phase, swing phase, and cadence for walking. [Results] For balance, both groups showed significant differences in the left/right and anterior/posterior weight-bearing, with significant post-program differences between the groups. For walking, there were significant differences in the stance phase, swing phase, and cadence of the virtual reality training group. [Conclusion] The results of this study suggest that virtual reality training providing visual feedback may enable stroke patients to directly adjust their incorrect weight center and shift visually. Virtual reality training may be appropriate for patients who need improved balance and walking ability by inducing their interest for them to perform planned exercises on a consistent basis.

Effects of virtual reality training using Nintendo Wii and treadmill walking exercise on balance and walking for stroke patients

PubMed Central

Bang, Yo-Soon; Son, Kyung Hyun; Kim, Hyun Jin

2016-01-01

[Purpose] The purpose of this study is to investigate the effects of virtual reality training using Nintendo Wii on balance and walking for stroke patients. [Subjects and Methods] Forty stroke patients with stroke were randomly divided into two exercise program groups: virtual reality training (n=20) and treadmill (n=20). The subjects underwent their 40-minute exercise program three times a week for eight weeks. Their balance and walking were measured before and after the complete program. We measured the left/right weight-bearing and the anterior/posterior weight-bearing for balance, as well as stance phase, swing phase, and cadence for walking. [Results] For balance, both groups showed significant differences in the left/right and anterior/posterior weight-bearing, with significant post-program differences between the groups. For walking, there were significant differences in the stance phase, swing phase, and cadence of the virtual reality training group. [Conclusion] The results of this study suggest that virtual reality training providing visual feedback may enable stroke patients to directly adjust their incorrect weight center and shift visually. Virtual reality training may be appropriate for patients who need improved balance and walking ability by inducing their interest for them to perform planned exercises on a consistent basis. PMID:27942130

The concept of comparative information yield curves and its application to risk-based site characterization

NASA Astrophysics Data System (ADS)

de Barros, Felipe P. J.; Rubin, Yoram; Maxwell, Reed M.

2009-06-01

Defining rational and effective hydrogeological data acquisition strategies is of crucial importance as such efforts are always resource limited. Usually, strategies are developed with the goal of reducing uncertainty, but less often they are developed in the context of their impacts on uncertainty. This paper presents an approach for determining site characterization needs on the basis of human health risk. The main challenge is in striking a balance between reduction in uncertainty in hydrogeological, behavioral, and physiological parameters. Striking this balance can provide clear guidance on setting priorities for data acquisition and for better estimating adverse health effects in humans. This paper addresses this challenge through theoretical developments and numerical simulation. A wide range of factors that affect site characterization needs are investigated, including the dimensions of the contaminant plume and additional length scales that characterize the transport problem, as well as the model of human health risk. The concept of comparative information yield curves is used for investigating the relative impact of hydrogeological and physiological parameters in risk. Results show that characterization needs are dependent on the ratios between flow and transport scales within a risk-driven approach. Additionally, the results indicate that human health risk becomes less sensitive to hydrogeological measurements for large plumes. This indicates that under near-ergodic conditions, uncertainty reduction in human health risk may benefit from better understanding of the physiological component as opposed to a more detailed hydrogeological characterization.

Heuristics for Multiobjective Optimization of Two-Sided Assembly Line Systems

PubMed Central

Jawahar, N.; Ponnambalam, S. G.; Sivakumar, K.; Thangadurai, V.

2014-01-01

Products such as cars, trucks, and heavy machinery are assembled by two-sided assembly line. Assembly line balancing has significant impacts on the performance and productivity of flow line manufacturing systems and is an active research area for several decades. This paper addresses the line balancing problem of a two-sided assembly line in which the tasks are to be assigned at L side or R side or any one side (addressed as E). Two objectives, minimum number of workstations and minimum unbalance time among workstations, have been considered for balancing the assembly line. There are two approaches to solve multiobjective optimization problem: first approach combines all the objectives into a single composite function or moves all but one objective to the constraint set; second approach determines the Pareto optimal solution set. This paper proposes two heuristics to evolve optimal Pareto front for the TALBP under consideration: Enumerative Heuristic Algorithm (EHA) to handle problems of small and medium size and Simulated Annealing Algorithm (SAA) for large-sized problems. The proposed approaches are illustrated with example problems and their performances are compared with a set of test problems. PMID:24790568

5 CFR 1640.2 - Information regarding account.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Information regarding account. 1640.2... STATEMENTS § 1640.2 Information regarding account. The Board will provide to each participant four (4) times... obtain account balance information on a more frequent basis from the TSP Web site and the ThriftLine. ...

Management Information System Based on the Balanced Scorecard

ERIC Educational Resources Information Center

Kettunen, Juha; Kantola, Ismo

2005-01-01

Purpose: This study seeks to describe the planning and implementation in Finland of a campus-wide management information system using a rigorous planning methodology. Design/methodology/approach: The structure of the management information system is planned on the basis of the management process, where strategic management and the balanced…

Developing a year-round objective measure of Colorado rangeland nutrient composition

USDA-ARS?s Scientific Manuscript database

A goal for any rangeland grazing operation is to attain an appropriate balance among available forage resources where forage nutrient composition and supplementation (i.e. if needed) meets daily nutritional demands of livestock. To accomplish this on a short-term basis, the producer needs to have in...

The balanced scorecard: an incremental approach model to health care management.

PubMed

Pineno, Charles J

2002-01-01

The balanced scorecard represents a technique used in strategic management to translate an organization's mission and strategy into a comprehensive set of performance measures that provide the framework for implementation of strategic management. This article develops an incremental approach for decision making by formulating a specific balanced scorecard model with an index of nonfinancial as well as financial measures. The incremental approach to costs, including profit contribution analysis and probabilities, allows decisionmakers to assess, for example, how their desire to meet different health care needs will cause changes in service design. This incremental approach to the balanced scorecard may prove to be useful in evaluating the existence of causality relationships between different objective and subjective measures to be included within the balanced scorecard.

Stereochemical analysis of (+)-limonene using theoretical and experimental NMR and chiroptical data

NASA Astrophysics Data System (ADS)

Reinscheid, F.; Reinscheid, U. M.

2016-02-01

Using limonene as test molecule, the success and the limitations of three chiroptical methods (optical rotatory dispersion (ORD), electronic and vibrational circular dichroism, ECD and VCD) could be demonstrated. At quite low levels of theory (mpw1pw91/cc-pvdz, IEFPCM (integral equation formalism polarizable continuum model)) the experimental ORD values differ by less than 10 units from the calculated values. The modelling in the condensed phase still represents a challenge so that experimental NMR data were used to test for aggregation and solvent-solute interactions. After establishing a reasonable structural model, only the ECD spectra prediction showed a decisive dependence on the basis set: only augmented (in the case of Dunning's basis sets) or diffuse (in the case of Pople's basis sets) basis sets predicted the position and shape of the ECD bands correctly. Based on these result we propose a procedure to assign the absolute configuration (AC) of an unknown compound using the comparison between experimental and calculated chiroptical data.

First-principles investigation on Rydberg and resonance excitations: A case study of the firefly luciferin anion

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

Noguchi, Yoshifumi, E-mail: y.noguchi@issp.u-tokyo.ac.jp; Hiyama, Miyabi; Akiyama, Hidefumi

2014-07-28

The optical properties of an isolated firefly luciferin anion are investigated by using first-principles calculations, employing the many-body perturbation theory to take into account the excitonic effect. The calculated photoabsorption spectra are compared with the results obtained using the time-dependent density functional theory (TDDFT) employing the localized atomic orbital (AO) basis sets and a recent experiment in vacuum. The present method well reproduces the line shape at the photon energy corresponding to the Rydberg and resonance excitations but overestimates the peak positions by about 0.5 eV. However, the TDDFT-calculated positions of some peaks are closer to those of the experiment.more » We also investigate the basis set dependency in describing the free electron states above vacuum level and the excitons involving the transitions to the free electron states and conclude that AO-only basis sets are inaccurate for free electron states and the use of a plane wave basis set is required.« less

THE SIGNIFICANCE OF CUMULATIVE WATER BALANCE IN THE DEVELOPMENT OF EARLY COMPLICATIONS AFTER MAJOR ABDOMINAL SURGERY.

PubMed

Musaeva, T S; Karipidi, M K; Zabolotskikh, I B

2016-11-01

a comprehensive assessment of the water balance on the basis of daily, cumulative balance and 10% of the body weight gain and their role in the development of early complications after major abdominal surgery. A retrospective study of the perioperative period in 150 patients who underwent major abdomi- nal surgery was performed. The physical condition of the patients corresponded to ASA 3 class. The average age was 46 (38-62) years. The following stages ofresearch: an analysis of daily balance and cumulative balance in complicated and uncomplicated group and their role in the development of complications; the timing of development ofcomplications and possible relationship with fluid overload and the development of complications; changes in the level of albumin within 10 days of the postoperative period. The analysis of complications didn't show significant differences between complicated and uncomplicated groups according to the water balance during the surgery and by the end of the first day. When constructing the area under the ROC curve (A UROC) low resolution ofthe balance in intraoperative period and the first day and the balance on the second day to predict complications was shown. Significant diferences according to the cumulative balance was observed from the third day of the postoperative period Also with the third day of the postoperative period there is a good resolution for prediction ofpostoperative complications according to the cumulative balance with the cut-offpoint > of 50,7 ml/kg. the excessive infusion therapy is a predictor of adverse outcome in patients after major abdominal surgery. Therefore, after 3 days of postoperative period it is important to maintain mechanisms for the excretion of excess fluid or limitations of infusion therapy.

Soil nitrogen balance assessment and its application for sustainable agriculture and environment.

PubMed

Roy, Rabindra Nath; Misra, Ram Vimal

2005-12-01

Soil nitrogen balance assessment (SNBA) serves as an effective tool for estimating the magnitude of nitrogen loss/gain of the agro-eco systems and to appraise their sustainability. SNBA brings forth awareness of soil fertility problems, besides providing information relating to the resultant release of nitrogen into the environment consequent to agricultural practices. Quantitative information relating to nitrogen escape into the environment through such exercises can be gainfully utilized for identification of causative factors, enhancing fertilizer use efficiency and formulating programmes aimed at plugging N leakages. An overview of nitrogen balance approaches and methodologies is presented. A deeper understanding and insight into the agro-eco systems provided by the SNBA exercises can lay the basis for the formulation of effective agronomic interventions and policies aimed at promoting sustainable agriculture and a benign environment.

Soil nitrogen balance assessment and its application for sustainable agriculture and environment.

PubMed

Roy, Rabindra Nath; Misra, Ram Vimal

2005-09-01

Soil nitrogen balance assessment (SNBA) serves as an effective tool for estimating the magnitude of nitrogen loss/gain of the agro-eco systems and to appraise their sustainability. SNBA brings forth awareness of soil fertility problems, besides providing information relating to the resultant release of nitrogen into the environment consequent to agricultural practices. Quantitative information relating to nitrogen escape into the environment through such exercises can be gainfully utilized for identification of causative factors, enhancing fertilizer use efficiency and formulating programmes aimed at plugging N leakages. An overview of nitrogen balance approaches and methodologies is presented. A deeper understanding and insight into the agro-eco systems provided by the SNBA exercises can lay the basis for the formulation of effective agronomic interventions and policies aimed at promoting sustainable agriculture and a benign environment.

The balance of kinetic and total energy simulated by the OSU two-level atmospheric general circulation model for January and July

NASA Technical Reports Server (NTRS)

Wang, J.-T.; Gates, W. L.; Kim, J.-W.

1984-01-01

A three-year simulation which prescribes seasonally varying solar radiation and sea surface temperature is the basis of the present study of the horizontal structure of the balances of kinetic and total energy simulated by Oregon State University's two-level atmospheric general circulation model. Mechanisms responsible for the local energy changes are identified, and the energy balance requirement's fulfilment is examined. In January, the vertical integral of the total energy shows large amounts of external heating over the North Pacific and Atlantic, together with cooling over most of the land area of the Northern Hemisphere. In July, an overall seasonal reversal is found. Both seasons are also characterized by strong energy flux divergence in the tropics, in association with the poleward transport of heat and momentum.

10 CFR 960.3-2-2-2 - Selection of sites within geohydrologic settings.

Code of Federal Regulations, 2011 CFR

2011-01-01

... geohydrologic settings, as specified in § 960.3-1-1, shall be applied to group all potentially acceptable sites..., if the circumstances so apply. If less than five geohydrologic settings are available for..., Hydrology, and Tectonics). This evaluation shall consider on balance the favorable conditions and...

m-Health 2.0: New perspectives on mobile health, machine learning and big data analytics.

PubMed

Istepanian, Robert S H; Al-Anzi, Turki

2018-06-08

Mobile health (m-Health) has been repeatedly called the biggest technological breakthrough of our modern times. Similarly, the concept of big data in the context of healthcare is considered one of the transformative drivers for intelligent healthcare delivery systems. In recent years, big data has become increasingly synonymous with mobile health, however key challenges of 'Big Data and mobile health', remain largely untackled. This is becoming particularly important with the continued deluge of the structured and unstructured data sets generated on daily basis from the proliferation of mobile health applications within different healthcare systems and products globally. The aim of this paper is of twofold. First we present the relevant big data issues from the mobile health (m-Health) perspective. In particular we discuss these issues from the technological areas and building blocks (communications, sensors and computing) of mobile health and the newly defined (m-Health 2.0) concept. The second objective is to present the relevant rapprochement issues of big m-Health data analytics with m-Health. Further, we also present the current and future roles of machine and deep learning within the current smart phone centric m-health model. The critical balance between these two important areas will depend on how different stakeholder from patients, clinicians, healthcare providers, medical and m-health market businesses and regulators will perceive these developments. These new perspectives are essential for better understanding the fine balance between the new insights of how intelligent and connected the future mobile health systems will look like and the inherent risks and clinical complexities associated with the big data sets and analytical tools used in these systems. These topics will be subject for extensive work and investigations in the foreseeable future for the areas of data analytics, computational and artificial intelligence methods applied for mobile health. Copyright © 2018 Elsevier Inc. All rights reserved.

How do workplaces, working practices and colleagues affect UK doctors’ career decisions? A qualitative study of junior doctors’ career decision making in the UK

PubMed Central

Pearson, Emma; Gibson, Jonathan; Checkland, Kath

2017-01-01

Objectives This study draws on an in-depth investigation of factors that influenced the career decisions of junior doctors. Setting Junior doctors in the UK can choose to enter specialty training (ST) programmes within 2 years of becoming doctors. Their specialty choices contribute to shaping the balance of the future medical workforce, with views on general practice (GP) careers of particular interest because of current recruitment difficulties. This paper examines how experiences of medical work and perceptions about specialty training shape junior doctors’ career decisions. Participants Twenty doctors in the second year of a Foundation Training Programme in England were recruited. Purposive sampling was used to achieve a diverse sample from respondents to an online survey. Results Narrative interviewing techniques encouraged doctors to reflect on how experiences during medical school and in medical workplaces had influenced their preferences and perceptions of different specialties. They also spoke about personal aspirations, work priorities and their wider future. Junior doctors’ decisions were informed by knowledge about the requirements of ST programmes and direct observation of the pressures under which ST doctors worked. When they encountered negative attitudes towards a specialty they had intended to choose, some became defensive while others kept silent. Achievement of an acceptable work-life balance was a central objective that could override other preferences. Events linked with specific specialties influenced doctors’ attitudes towards them. For example, findings confirmed that while early, positive experiences of GP work could increase its attractiveness, negative experiences in GP settings had the opposite effect. Conclusions Junior doctors’ preferences and perceptions about medical work are influenced by multiple intrinsic and extrinsic factors and experiences. This paper highlights the importance of understanding how perceptions are formed and preferences are developed, as a basis for generating learning and working environments that nurture students and motivate their professional careers. PMID:29074517

Nonlinear Socio-Ecological Dynamics and First Principles ofCollective Choice Behavior of ``Homo Socialis"

NASA Astrophysics Data System (ADS)

Sonis, M.

Socio-ecological dynamics emerged from the field of Mathematical SocialSciences and opened up avenues for re-examination of classical problems of collective behavior in Social and Spatial sciences. The ``engine" of this collective behavior is the subjective mental evaluation of level of utilities in the future, presenting sets of composite socio-economic-temporal-locational advantages. These dynamics present new laws of collective multi-population behavior which are the meso-level counterparts of the utility optimization individual behavior. The central core of the socio-ecological choice dynamics includes the following first principle of the collective choice behavior of ``Homo Socialis" based on the existence of ``collective consciousness": the choice behavior of ``Homo Socialis" is a collective meso-level choice behavior such that the relative changes in choice frequencies depend on the distribution of innovation alternatives between adopters of innovations. The mathematical basis of the Socio-Ecological Dynamics includes two complementary analytical approaches both based on the use of computer modeling as a theoretical and simulation tool. First approach is the ``continuous approach" --- the systems of ordinary and partial differential equations reflecting the continuous time Volterra ecological formalism in a form of antagonistic and/or cooperative collective hyper-games between different sub-sets of choice alternatives. Second approach is the ``discrete approach" --- systems of difference equations presenting a new branch of the non-linear discrete dynamics --- the Discrete Relative m-population/n-innovations Socio-Spatial Dynamics (Dendrinos and Sonis, 1990). The generalization of the Volterra formalism leads further to the meso-level variational principle of collective choice behavior determining the balance between the resulting cumulative social spatio-temporal interactions among the population of adopters susceptible to the choice alternatives and the cumulative equalization of the power of elites supporting different choice alternatives. This balance governs the dynamic innovation choice process and constitutes the dynamic meso-level counterpart of the micro-economic individual utility maximization principle.

Nordic Balance: Sweden, a Case Study.

DTIC Science & Technology

A strategic appraisal of the Swedish Armed Forces is set against the background of other elements of national power. Although Sweden is a small country, the analysis leads to the conclusion that the strength of the Swedish Armed Forces contributes significantly to the military balance of the Scandinavian region. Situated between the major power blocs represented by NATO and the Warsaw Pact countries, Sweden pursues an alliance-free foreign policy which also enhances regional military/ political stability , termed ’Nordic Balance’. (Modified author abstract)

Automatic computation and solution of generalized harmonic balance equations

NASA Astrophysics Data System (ADS)

Peyton Jones, J. C.; Yaser, K. S. A.; Stevenson, J.

2018-02-01

Generalized methods are presented for generating and solving the harmonic balance equations for a broad class of nonlinear differential or difference equations and for a general set of harmonics chosen by the user. In particular, a new algorithm for automatically generating the Jacobian of the balance equations enables efficient solution of these equations using continuation methods. Efficient numeric validation techniques are also presented, and the combined algorithm is applied to the analysis of dc, fundamental, second and third harmonic response of a nonlinear automotive damper.

Effects of different foot progression angles and platform settings on postural stability and fall risk in healthy and medial knee osteoarthritic adults.

PubMed

Khan, Saad Jawaid; Khan, Soobia Saad; Usman, Juliana; Mokhtar, Abdul Halim; Abu Osman, Noor Azuan

2018-02-01

This study aims to investigate the effects of varying toe angles at different platform settings on Overall Stability Index of postural stability and fall risk using Biodex Balance System in healthy participants and medial knee osteoarthritis patients. Biodex Balance System was employed to measure postural stability and fall risk at different foot progression angles (ranging from -20° to 40°, with 10° increments) on 20 healthy (control group) and 20 knee osteoarthritis patients (osteoarthritis group) randomly (age: 59.50 ± 7.33 years and 61.50 ± 8.63 years; body mass: 69.95 ± 9.86 kg and 70.45 ± 8.80 kg). Platform settings used were (1) static, (2) postural stability dynamic level 8 (PS8), (3) fall risk levels 12 to 8 (FR12) and (4) fall risk levels 8 to 2 (FR8). Data from the tests were analysed using three-way mixed repeated measures analysis of variance. The participant group, platform settings and toe angles all had a significant main effect on balance ( p ≤ 0.02). Platform settings had a significant interaction effect with participant group F(3, 144) = 6.97, p < 0.01 and toe angles F(21, 798) = 2.83, p < 0.01. Non-significant interactions were found for group × toe angles, F(7, 266) = 0.89, p = 0.50, and for group × toe angles × settings, F(21, 798) = 1.07, p = 0.36. The medial knee osteoarthritis group has a poorer postural stability and increased fall risk as compared to the healthy group. Changing platform settings has a more pronounced effect on balance in knee osteoarthritis group than in healthy participants. Changing toe angles produced similar effects in both the participant groups, with decreased stability and increased fall risk at extreme toe-in and toe-out angles.

Basis set study of classical rotor lattice dynamics.

PubMed

Witkoskie, James B; Wu, Jianlan; Cao, Jianshu

2004-03-22

The reorientational relaxation of molecular systems is important in many phenomenon and applications. In this paper, we explore the reorientational relaxation of a model Brownian rotor lattice system with short range interactions in both the high and low temperature regimes. In this study, we use a basis set expansion to capture collective motions of the system. The single particle basis set is used in the high temperature regime, while the spin wave basis is used in the low temperature regime. The equations of motion derived in this approach are analogous to the generalized Langevin equation, but the equations render flexibility by allowing nonequilibrium initial conditions. This calculation shows that the choice of projection operators in the generalized Langevin equation (GLE) approach corresponds to defining a specific inner-product space, and this inner-product space should be chosen to reveal the important physics of the problem. The basis set approach corresponds to an inner-product and projection operator that maintain the orthogonality of the spherical harmonics and provide a convenient platform for analyzing GLE expansions. The results compare favorably with numerical simulations, and the formalism is easily extended to more complex systems. (c) 2004 American Institute of Physics

[Perioperative fluid therapy in perforated ulcers].

PubMed

Bjerre, Catherine Collin; Holte, Kathrine

2009-04-27

Surgery for perforated ulcers is one of the most common emergency surgical procedures. Approximately 400 procedures are performed each year in Denmark and mortality is high, reaching close to 30% at 30 days postoperatively. The importance of perioperative fluid administration during the perioperative course remains unclear. The purpose of this study is to describe the perioperative fluid management in these patients in order to identify problem areas (if any) and to create a basis on which future trials on fluid management in this patient group may be designed. Retrospective survey of 45 consecutive patients operated for perforated ulcers over a 3-year period between 1 January 2003 and 31 December 2005 in the surgical department of a university hospital. Data that would permit rational fluid therapy are not being collected on a regular basis. Fluid balance charts were kept for 42 patients on the day of operation (89%), for 29 patients on the first post-operative day (61%), for 17 patients on the second post-operative day (36%) and for 12 patients (25%) on the third post-operative day. No patients were weighed for assessment of fluid status. Perioperative fluid administration varied extensively, with fluid balance on the day of surgery ranging from -45 to 8,030 ml (median 2688 ml) and a cumulated fluid balance of 7,2 litres (1,875-14,565 ml) three days postoperatively. Generally, patients had no fluid administered prior to surgery (median 0 ml, applying to 41 patients (87%) range 0-4,500 ml). Both the preoperative fluid management and the postoperative monitoring of the fluid balance are suboptimal and should be optimized. Individualized (goal-directed) fluid administration aiming at optimizing the oxygen supply to the peripheral tissues is warranted and is recommended to high-risk emergency surgery patients.

An Efficiency Balanced Information Criterion for Item Selection in Computerized Adaptive Testing

ERIC Educational Resources Information Center

Han, Kyung T.

2012-01-01

Successful administration of computerized adaptive testing (CAT) programs in educational settings requires that test security and item exposure control issues be taken seriously. Developing an item selection algorithm that strikes the right balance between test precision and level of item pool utilization is the key to successful implementation…

Illustrating Caffeine's Pharmacological and Expectancy Effects Utilizing a Balanced Placebo Design.

ERIC Educational Resources Information Center

Lotshaw, Sandra C.; And Others

1996-01-01

Hypothesizes that pharmacological and expectancy effects may be two principles that govern caffeine consumption in the same way they affect other drug use. Tests this theory through a balanced placebo design on 100 male undergraduate students. Expectancy set and caffeine content appeared equally powerful, and worked additionally, to affect…

The E-Balanced Scorecard (e-BSC) for Measuring Academic Staff Performance Excellence

ERIC Educational Resources Information Center

Yu, May Leen; Hamid, Suraya; Ijab, Mohamad Taha; Soo, Hsaio Pei

2009-01-01

This research paper is a pilot study that investigated the suitability of adopting an automated balanced scorecard for managing and measuring the performance excellence of academic staffs in the higher education setting. A comprehensive study of related literature with requirements elicited from the target population in a selected premier…

The Balanced Scorecard: Beyond Reports and Rankings.

ERIC Educational Resources Information Center

Stewart, Alice C.; Carpenter-Hubin, Julie

2001-01-01

Discusses the use of performance indicators by higher education institutions for internal assessment as well as external reporting. Describes the balanced scorecard developed by Robert S. Kaplan and David P. Norton in 1992, a set of measures that allow for a holistic, integrated view of business performance. Explores how to create and use the…

40 CFR 1065.140 - Dilution for gaseous and PM constituents.

Code of Federal Regulations, 2013 CFR

2013-07-01

... nitrogen. For gaseous emission measurement the diluent must be at least 15 °C. Note that the composition of... chemical balance equations in § 1065.655 to calculate the mole fraction of water in the dilute exhaust... condensation (either measured or from the chemical balance), and set any negative values to zero. This...

40 CFR 1065.140 - Dilution for gaseous and PM constituents.

Code of Federal Regulations, 2011 CFR

2011-07-01

... nitrogen. For gaseous emission measurement the diluent must be at least 15 °C. Note that the composition of... chemical balance equations in § 1065.655 to calculate the mole fraction of water in the dilute exhaust... condensation (either measured or from the chemical balance), and set any negative values to zero. This...

40 CFR 1065.140 - Dilution for gaseous and PM constituents.

Code of Federal Regulations, 2014 CFR

2014-07-01

... nitrogen. References in this part to “dilution air” may include any of these. For gaseous emission... test interval does not exceed the specified limits. (A) Use chemical balance equations in § 1065.655 to... balance), and set any negative values to zero. This difference is the potential mole fraction of the...

40 CFR 1065.140 - Dilution for gaseous and PM constituents.

Code of Federal Regulations, 2010 CFR

2010-07-01

... nitrogen. For gaseous emission measurement the diluent must be at least 15 °C. Note that the composition of... chemical balance equations in § 1065.655 to calculate the mole fraction of water in the dilute exhaust... condensation (either measured or from the chemical balance), and set any negative values to zero. This...

40 CFR 1065.140 - Dilution for gaseous and PM constituents.

Code of Federal Regulations, 2012 CFR

2012-07-01

... nitrogen. For gaseous emission measurement the diluent must be at least 15 °C. Note that the composition of... chemical balance equations in § 1065.655 to calculate the mole fraction of water in the dilute exhaust... condensation (either measured or from the chemical balance), and set any negative values to zero. This...

Acquiescent Responding in Balanced Multidimensional Scales and Exploratory Factor Analysis

ERIC Educational Resources Information Center

Lorenzo-Seva, Urbano; Rodriguez-Fornells, Antoni

2006-01-01

Personality tests often consist of a set of dichotomous or Likert items. These response formats are known to be susceptible to an agreeing-response bias called acquiescence. The common assumption in balanced scales is that the sum of appropriately reversed responses should be reasonably free of acquiescence. However, inter-item correlation (or…

45 CFR 1628.3 - Policy.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 45 Public Welfare 4 2013-10-01 2013-10-01 false Policy. 1628.3 Section 1628.3 Public Welfare... Policy. (a) Recipients are permitted to retain from one fiscal year to the next LSC fund balances up to... Corporation are not subject to the fund balance policy set forth in this part. Revenue and expenses relating...

The Interaction of Functional and Dysfunctional Emotions during Balance Beam Performance

ERIC Educational Resources Information Center

Cottyn, Jorge; De Clercq, Dirk; Crombez, Geert; Lenoir, Matthieu

2012-01-01

The interaction between functional and dysfunctional emotions, as one of the major tenets of the Individual Zones of Optimal Functioning (IZOF) model (Hanin, 2000), was studied in a sport specific setting. Fourteen female gymnasts performed three attempts of a compulsory balance beam routine at three different heights. Heart rate and self-report…

The Mean as Balance Point

ERIC Educational Resources Information Center

O'Dell, Robin S.

2012-01-01

There are two primary interpretations of the mean: as a leveler of data (Uccellini 1996, pp. 113-114) and as a balance point of a data set. Typically, both interpretations of the mean are ignored in elementary school and middle school curricula. They are replaced with a rote emphasis on calculation using the standard algorithm. When students are…

Work-Family Balance and Academic Advancement in Medical Schools

ERIC Educational Resources Information Center

Fox, Geri; Schwartz, Alan; Hart, Katherine M.

2006-01-01

Objective: This study examines various options that a faculty member might exercise to achieve work-family balance in academic medicine and their consequences for academic advancement. Method: Three data sets were analyzed: an anonymous web-administered survey of part-time tenure track-eligible University of Illinois College of Medicine (UI-COM)…

Interior. Looking from balance room to the front entrance. Chemicals ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Interior. Looking from balance room to the front entrance. Chemicals related to Edison's experiments on the extraction of latex for rubber from the goldenrod plant. Room is set up based on reconstruction research done in 1972. - Thomas A. Edison Laboratories, Building No. 2, Main Street & Lakeside Avenue, West Orange, Essex County, NJ

Theoretical study of the XP3 (X = Al, B, Ga) clusters

NASA Astrophysics Data System (ADS)

Ueno, Leonardo T.; Lopes, Cinara; Malaspina, Thaciana; Roberto-Neto, Orlando; Canuto, Sylvio; Machado, Francisco B. C.

2012-05-01

The lowest singlet and triplet states of AlP3, GaP3 and BP3 molecules with Cs, C2v and C3v symmetries were characterized using the B3LYP functional and the aug-cc-pVTZ and aug-cc-pVQZ correlated consistent basis sets. Geometrical parameters and vibrational frequencies were calculated and compared to existent experimental and theoretical data. Relative energies were obtained with single point CCSD(T) calculations using the aug-cc-pVTZ, aug-cc-pVQZ and aug-cc-pV5Z basis sets, and then extrapolating to the complete basis set (CBS) limit.

A Two-Phase Model for Trade Matching and Price Setting in Double Auction Water Markets

NASA Astrophysics Data System (ADS)

Xu, Tingting; Zheng, Hang; Zhao, Jianshi; Liu, Yicheng; Tang, Pingzhong; Yang, Y. C. Ethan; Wang, Zhongjing

2018-04-01

Delivery in water markets is generally operated by agencies through channel systems, which imposes physical and institutional market constraints. Many water markets allow water users to post selling and buying requests on a board. However, water users may not be able to choose efficiently when the information (including the constraints) becomes complex. This study proposes an innovative two-phase model to address this problem based on practical experience in China. The first phase seeks and determines the optimal assignment that maximizes the incremental improvement of the system's social welfare according to the bids and asks in the water market. The second phase sets appropriate prices under constraints. Applying this model to China's Xiying Irrigation District shows that it can improve social welfare more than the current "pool exchange" method can. Within the second phase, we evaluate three objective functions (minimum variance, threshold-based balance, and two-sided balance), which represent different managerial goals. The threshold-based balance function should be preferred by most users, while the two-sided balance should be preferred by players who post extreme prices.

Exploring the general motor ability construct.

PubMed

Ibrahim, Halijah; Heard, N Paul; Blanksby, Brian

2011-10-01

Malaysian students ages 12 to 15 years (N = 330; 165 girls, 165 boys) took the Australian Institute of Sport Talent Identification Test (AIST) and the Balance and Movement Coordination Test (BMC), developed specifically to identify sport talent in Malaysian adolescents. To investigate evidence for general aptitude ("g") in motor ability, a higher-order factor analysis was applied to the motor skills subtests from the AIST and BMC. First-order principal components analysis indicated that scores for the adolescent boys and girls could be described by similar sets of specific motor abilities. In particular, sets of skills identified as Movement Coordination and Postural Control were found, with Balancing Ability also emerging. For the girls, a factor labeled Static Balance was indicated. However, for the boys a more general balance ability labeled Kinesthetic Integration was found, along with an ability labeled Explosive Power. These first-order analyses accounted for 45% to 60% of the variance in the scores on the motor skills tests for the boys and girls, respectively. Separate second-order factor analyses for the boys and girls extracted a single higher-order factor, which was consistent with the existence of a motoric "g".

How to compute isomerization energies of organic molecules with quantum chemical methods.

PubMed

Grimme, Stefan; Steinmetz, Marc; Korth, Martin

2007-03-16

The reaction energies for 34 typical organic isomerizations including oxygen and nitrogen heteroatoms are investigated with modern quantum chemical methods that have the perspective of also being applicable to large systems. The experimental reaction enthalpies are corrected for vibrational and thermal effects, and the thus derived "experimental" reaction energies are compared to corresponding theoretical data. A series of standard AO basis sets in combination with second-order perturbation theory (MP2, SCS-MP2), conventional density functionals (e.g., PBE, TPSS, B3-LYP, MPW1K, BMK), and new perturbative functionals (B2-PLYP, mPW2-PLYP) are tested. In three cases, obvious errors of the experimental values could be detected, and accurate coupled-cluster [CCSD(T)] reference values have been used instead. It is found that only triple-zeta quality AO basis sets provide results close enough to the basis set limit and that sets like the popular 6-31G(d) should be avoided in accurate work. Augmentation of small basis sets with diffuse functions has a notable effect in B3-LYP calculations that is attributed to intramolecular basis set superposition error and covers basic deficiencies of the functional. The new methods based on perturbation theory (SCS-MP2, X2-PLYP) are found to be clearly superior to many other approaches; that is, they provide mean absolute deviations of less than 1.2 kcal mol-1 and only a few (<10%) outliers. The best performance in the group of conventional functionals is found for the highly parametrized BMK hybrid meta-GGA. Contrary to accepted opinion, hybrid density functionals offer no real advantage over simple GGAs. For reasonably large AO basis sets, results of poor quality are obtained with the popular B3-LYP functional that cannot be recommended for thermochemical applications in organic chemistry. The results of this study are complementary to often used benchmarks based on atomization energies and should guide chemists in their search for accurate and efficient computational thermochemistry methods.

Comment on “Rethinking first-principles electron transport theories with projection operators: The problems caused by partitioning the basis set” [J. Chem. Phys. 139, 114104 (2013)

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

Brandbyge, Mads, E-mail: mads.brandbyge@nanotech.dtu.dk

2014-05-07

In a recent paper Reuter and Harrison [J. Chem. Phys. 139, 114104 (2013)] question the widely used mean-field electron transport theories, which employ nonorthogonal localized basis sets. They claim these can violate an “implicit decoupling assumption,” leading to wrong results for the current, different from what would be obtained by using an orthogonal basis, and dividing surfaces defined in real-space. We argue that this assumption is not required to be fulfilled to get exact results. We show how the current/transmission calculated by the standard Greens function method is independent of whether or not the chosen basis set is nonorthogonal, andmore » that the current for a given basis set is consistent with divisions in real space. The ambiguity known from charge population analysis for nonorthogonal bases does not carry over to calculations of charge flux.« less

Assessing streamflow sensitivity to variations in glacier mass balance

USGS Publications Warehouse

O'Neel, Shad; Hood, Eran; Arendt, Anthony; Sass, Louis

2014-01-01

The purpose of this paper is to evaluate relationships among seasonal and annual glacier mass balances, glacier runoff and streamflow in two glacierized basins in different climate settings. We use long-term glacier mass balance and streamflow datasets from the United States Geological Survey (USGS) Alaska Benchmark Glacier Program to compare and contrast glacier-streamflow interactions in a maritime climate (Wolverine Glacier) with those in a continental climate (Gulkana Glacier). Our overall goal is to improve our understanding of how glacier mass balance processes impact streamflow, ultimately improving our conceptual understanding of the future evolution of glacier runoff in continental and maritime climates.

Evaluation of a spatially-distributed Thornthwaite water-balance model

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

Lough, J.A.

1993-03-01

A small watershed of low relief in coastal New Hampshire was divided into hydrologic sub-areas in a geographic information system on the basis of soils, sub-basins and remotely-sensed landcover. Three variables were spatially modeled for input to 49 individual water-balances: available water content of the root zone, water input and potential evapotranspiration (PET). The individual balances were weight-summed to generate the aggregate watershed-balance, which saw 9% (48--50 mm) less annual actual-evapotranspiration (AET) compared to a lumped approach. Analysis of streamflow coefficients suggests that the spatially-distributed approach is more representative of the basin dynamics. Variation of PET by landcover accounted formore » the majority of the 9% AET reduction. Variation of soils played a near-negligible role. As a consequence of the above points, estimates of landcover proportions and annual PET by landcover are sufficient to correct a lumped water-balance in the Northeast. If remote sensing is used to estimate the landcover area, a sensor with a high spatial resolution is required. Finally, while the lower Thornthwaite model has conceptual limitations for distributed application, the upper Thornthwaite model is highly adaptable to distributed problems and may prove useful in many earth-system models.« less

An organizational cybernetics framework for achieving balance in evidence-based practice and practice-based evidence.

PubMed

Fitch, Dale

2014-01-01

This article applies the systems science of organizational cybernetics to the implementation of evidence-based practice (EBP) in the provision of social work services in a residential treatment center setting. It does so by systemically balancing EBP with practice-based evidence (PBE) with a focus on the organizational and information system infrastructures necessary to ensure successful implementation. This application is illustrated by discussing a residential treatment program that implemented evidence-based programming and evaluated the results; however, the systemic principles articulated can be applied to any human services organizational setting.

Some considerations about Gaussian basis sets for electric property calculations

NASA Astrophysics Data System (ADS)

Arruda, Priscilla M.; Canal Neto, A.; Jorge, F. E.

Recently, segmented contracted basis sets of double, triple, and quadruple zeta valence quality plus polarization functions (XZP, X = D, T, and Q, respectively) for the atoms from H to Ar were reported. In this work, with the objective of having a better description of polarizabilities, the QZP set was augmented with diffuse (s and p symmetries) and polarization (p, d, f, and g symmetries) functions that were chosen to maximize the mean dipole polarizability at the UHF and UMP2 levels, respectively. At the HF and B3LYP levels of theory, electric dipole moment and static polarizability for a sample of molecules were evaluated. Comparison with experimental data and results obtained with a similar size basis set, whose diffuse functions were optimized for the ground state energy of the anion, was done.

A Simplified Approach to the Basis Functions of Symmetry Operations and Terms of Metal Complexes in an Octahedral Field with d[superscript 1] to d[superscript 9] Configurations

ERIC Educational Resources Information Center

Lee, Liangshiu

2010-01-01

The basis sets for symmetry operations of d[superscript 1] to d[superscript 9] complexes in an octahedral field and the resulting terms are derived for the ground states and spin-allowed excited states. The basis sets are of fundamental importance in group theory. This work addresses such a fundamental issue, and the results are pedagogically…

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

Makhov, Dmitry V.; Shalashilin, Dmitrii V.; Glover, William J.

We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as “cloning,” in analogy to the “spawning” procedure in AIMS. This synthesis of AIMS and MCEmore » allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, “trains,” as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions.« less

Female Athletic Training Students' Perceptions of Motherhood and Retention in Athletic Training

PubMed Central

Mazerolle, Stephanie M.; Gavin, Kerri

2013-01-01

Context: Motherhood appears to be a catalyst in job turnover for female athletic trainers, especially those employed at the National Collegiate Athletic Association Division I level. However, most researchers examining this topic have investigated the perspectives of those who are currently employed rather than those who are preparing to enter the profession. Objective: To evaluate female athletic training students' perceptions of motherhood and retention. Design: Qualitative study. Setting: Athletic training education program. Patients or Other Participants: A total of 18 female athletic training students volunteered to participate. They were enrolled in 1 Commission on Accrediting Athletic Training Education–accredited athletic training program and represented 3 levels of academic study. Data Collection and Analysis: The participants responded to a series of questions related to work–life balance and retention in athletic training. Analysis of the data followed a general inductive process. Credibility was established by interpretive member checks and peer review. Results: The first theme, clinical setting, speaks to the belief that work–life balance and retention in athletic training require an employment setting that fosters a family-friendly atmosphere and a work schedule (including travel) that allows for time at home. The second theme, mentorship, reflects the acknowledgment that a female mentor who is successful in balancing the roles of mother and athletic trainer can serve as a role model. The final theme, work–life balance strategies, illustrates the need to have a plan in place to meet the demands of both home and work life. Conclusions: A female athletic trainer who is successfully balancing her career and family responsibilities may be the most helpful factor in retention, especially for female athletic training students. Young professionals need to be educated on the importance of developing successful work–life balance strategies, which can be helpful in reducing attrition from the profession. PMID:23725461

Maximizing gait and balance: behaviors and decision-making processes of persons with multiple sclerosis and physical therapists.

PubMed

Held Bradford, Elissa; Finlayson, Marcia; White Gorman, Andrea; Wagner, Joanne

2018-05-01

To describe the behavioral decisions used by persons with multiple sclerosis (MS) and physical therapists to maximize gait and balance following outpatient physical therapy. A multi-method case series with seven matched pairs (persons with MS-physical therapists). Quota sampling maximized variability among persons with MS (disease steps score range 3-6). Three of the four physical therapists were MS or neurology certified. Persons with MS completed a phone survey, follow-up interview, and standardized questionnaires. Physical therapists completed an interview. Data were collected 2-8 weeks following discharge. Content and constant comparison analyses were used for thematic development and triangulation. Core themes arose exemplifying the decision-making processes and actions of persons with MS (challenging self by pushing but respecting limits) and physical therapists (finding the right fit). One overarching theme, keeping their lived world large, or participation in valued life roles, emerged integrating both perspectives driving decision-making. Participants have a shared goal of maximizing gait and balance so persons with MS can participate in valued life roles. Understanding the differences in the behavioral decisions and optimizing skill sets in shared decision-making and self-management may enhance the therapeutic partnership and engagement in gait- and balance-enhancing behaviors. Implications for Rehabilitation Persons with MS and physical therapists have a shared goal of maximizing gait and balance so persons with MS can participate in valued activities and life roles, or more poetically, keep their lived world large. Knowledge that persons with MS aim to challenge themselves by pushing but respecting limits can provide physical therapists with greater insight in helping persons with MS resolve uncertainty, set meaningful goals, and build the routines and resilience needed for engagement in gait- and balance-enhancing behaviors. Enriching skill sets in shared decision-making, behavior change and self-management may optimize the physical therapist toolbox.

Validation of mid-infrared spectrometry in milk for predicting body energy status in Holstein-Friesian cows.

PubMed

McParland, S; Banos, G; McCarthy, B; Lewis, E; Coffey, M P; O'Neill, B; O'Donovan, M; Wall, E; Berry, D P

2012-12-01

Cow energy balance is known to be associated with cow health and fertility; therefore, routine access to data on energy balance can be useful in both management and breeding decisions to improve cow performance. The objective of this study was to determine if individual cow milk mid-infrared spectra (MIR) could be useful to predict cow energy balance across contrasting production systems. Direct energy balance was calculated as the differential between energy intake and energy output in milk and maintenance (maintenance was predicted using body weight). Body energy content was calculated from (change in) body weight and body condition score. Following editing, 2,992 morning, 2,742 midday, and 2,989 evening milk MIR records from 564 lactations on 337 Scottish cows, managed in a confinement system on 1 of 2 diets, were available. An additional 844 morning and 820 evening milk spectral records from 338 lactations on 244 Irish cows offered a predominantly grazed grass diet were also available. Equations were developed to predict body energy status using the milk spectral data and milk yield as predictor variables. Several different approaches were used to test the robustness of the equations calibrated in one data set and validated in another. The analyses clearly showed that the variation in the validation data set must be represented in the calibration data set. The accuracy (i.e., square root of the coefficient of multiple determinations) of predicting, from MIR, direct energy balance, body energy content, and energy intake was 0.47 to 0.69, 0.51 to 0.56, and 0.76 to 0.80, respectively. This highlights the ability of milk MIR to predict body energy balance, energy content, and energy intake with reasonable accuracy. Very high accuracy, however, was not expected, given the likely random errors in the calculation of these energy status traits using field data. Copyright © 2012 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Differential sensitivity between a virtual reality (VR) balance module and clinically used concussion balance modalities

PubMed Central

Teel, Elizabeth F; Gay, Michael R; Arnett, Peter A; Slobounov, Semyon M

2015-01-01

Objective Balance assessments are part of the recommended clinical concussion evaluation, along with computerized neuropsychological testing and self-reported symptoms checklists. New technology has allowed for the creation of virtual reality (VR) balance assessments to be used in concussion care, but there is little information on the sensitivity and specificity of these evaluations. The purpose of this study is to establish the sensitivity and specificity of a VR balance module for detecting lingering balance deficits clinical concussion care. Design Retrospective, case-control study Setting Institutional research laboratory Participants Normal controls (n=94) and concussed participants (n=27) Interventions All participants completed a VR balance assessment paradigm. Concussed participants were diagnosed by a Certified Athletic Trainer or physician (with 48 hours post-injury) and tested in the lab between 7-10 days post-injury. ROC curves were performed in order to establish the VR module’s sensitivity and specificity for detecting lingering balance deficits. Main Outcome Measures Final balance score Results For the VR balance module, a cutoff score of 8.25 was established to maximize sensitivity at 85.7% and specificity at 87.8%. Conclusions The VR balance module has high sensitivity and specificity for detecting sub-acute balance deficits after concussive injury. PMID:26505696

Measuring pictorial balance perception at first glance using Japanese calligraphy

PubMed Central

Gershoni, Sharon; Hochstein, Shaul

2011-01-01

According to art theory, pictorial balance acts to unify picture elements into a cohesive composition. For asymmetrical compositions, balancing elements is thought to be similar to balancing mechanical weights in a framework of symmetry axes. Assessment of preference for balance (APB), based on the symmetry-axes framework suggested in Arnheim R, 1974 Art and Visual Perception: A Psychology of the Creative Eye (Berkeley, CA: University of California Press), successfully matched subject balance ratings of images of geometrical shapes over unlimited viewing time. We now examine pictorial balance perception of Japanese calligraphy during first fixation, isolated from later cognitive processes, comparing APB measures with results from balance-rating and comparison tasks. Results show high between-task correlation, but low correlation with APB. We repeated the rating task, expanding the image set to include five rotations of each image, comparing balance perception of artist and novice participant groups. Rotation has no effect on APB balance computation but dramatically affects balance rating, especially for art experts. We analyze the variety of rotation effects and suggest that, rather than depending on element size and position relative to symmetry axes, first fixation balance processing derives from global processes such as grouping of lines and shapes, object recognition, preference for horizontal and vertical elements, closure, and completion, enhanced by vertical symmetry. PMID:23145242

Method of up-front load balancing for local memory parallel processors

NASA Technical Reports Server (NTRS)

Baffes, Paul Thomas (Inventor)

1990-01-01

In a parallel processing computer system with multiple processing units and shared memory, a method is disclosed for uniformly balancing the aggregate computational load in, and utilizing minimal memory by, a network having identical computations to be executed at each connection therein. Read-only and read-write memory are subdivided into a plurality of process sets, which function like artificial processing units. Said plurality of process sets is iteratively merged and reduced to the number of processing units without exceeding the balance load. Said merger is based upon the value of a partition threshold, which is a measure of the memory utilization. The turnaround time and memory savings of the instant method are functions of the number of processing units available and the number of partitions into which the memory is subdivided. Typical results of the preferred embodiment yielded memory savings of from sixty to seventy five percent.

The Balanced Scorecard of acute settings: development process, definition of 20 strategic objectives and implementation.

PubMed

Groene, Oliver; Brandt, Elimer; Schmidt, Werner; Moeller, Johannes

2009-08-01

Strategy development and implementation in acute care settings is often restricted by competing challenges, the pace of policy reform and the existence of parallel hierarchies. To describe a generic approach to strategy development, illustrate the use of the Balanced Scorecard as a tool to facilitate strategy implementation and demonstrate how to break down strategic goals into measurable elements. Multi-method approach using three different conceptual models: Health Promoting Hospitals Standards and Strategies, the European Foundation for Quality Management (EFQM) Model and the Balanced Scorecard. A bundle of qualitative and quantitative methods were used including in-depth interviews, standardized organization-wide surveys on organizational values, staff satisfaction and patient experience. Three acute care hospitals in four different locations belonging to a German holding group. Chief executive officer, senior medical officers, working group leaders and hospital staff. Development and implementation of the Balanced Scorecard. Twenty strategic objectives with corresponding Balanced Scorecard measures. A stepped approach from strategy development to implementation is presented to identify key themes for strategy development, drafting a strategy map and developing strategic objectives and measures. The Balanced Scorecard, in combination with the EFQM model, is a useful tool to guide strategy development and implementation in health care organizations. As for other quality improvement and management tools not specifically developed for health care organizations, some adaptations are required to improve acceptability among professionals. The step-wise approach of strategy development and implementation presented here may support similar processes in comparable organizations.

A stability theorem for energy-balance climate models

NASA Technical Reports Server (NTRS)

Cahalan, R. F.; North, G. R.

1979-01-01

The paper treats the stability of steady-state solutions of some simple, latitude-dependent, energy-balance climate models. For north-south symmetric solutions of models with an ice-cap-type albedo feedback, and for the sum of horizontal transport and infrared radiation given by a linear operator, it is possible to prove a 'slope stability' theorem, i.e., if the local slope of the steady-state iceline latitude versus solar constant curve is positive (negative) the steady-state solution is stable (unstable). Certain rather weak restrictions on the albedo function and on the heat transport are required for the proof, and their physical basis is discussed.

Strategies for navigating the healthcare credit market.

PubMed

Wareham, T L

2001-04-01

Not-for-profit healthcare organizations are experiencing a tightened credit market due to financial stresses on the healthcare industry such as declining payments, effects of the Balanced Budget Act of 1997, and the shift to outpatient care. In the future, healthcare organizations wanting to access the capital market will be expected to preserve cash as an "insurance policy," offer greater security and stricter covenants, and report financial information on a quarterly basis. To meet these requirements and navigate today's tighter credit market, healthcare financial managers will need to focus on the organization's most reliably profitable areas of business, link strategic and financial issues, and carefully monitor the balance sheet.

Setting the Record Straight. The Truth About Fad Diets.

ERIC Educational Resources Information Center

Wheat Foods Council, Parker, CO.

The Setting the Record Straight information packet presents facts to set the record straight about nutrition and debunk fad diets. The kit features materials designed to communicate the importance of balanced eating. Materials include: a time line of fad diets; four reproducible fad diet book review handouts that show the misleading claims rampant…

Setting the Pressure at Which to Conduct a Distillation.

ERIC Educational Resources Information Center

Barduhn, Allen J.

1984-01-01

Discusses how pressure setting is determined for distillation columns, examining factors which must be considered when optimizing design for economical balance. Also discusses the basics of heat exchangers and cites a common problem with pressure differences. (JM)

What Does Division Mean?

ERIC Educational Resources Information Center

Burton, Grace M.; Knifong, J. Dan

1983-01-01

Models for division are discussed: counting, repeated subtraction, inverse of multiplication, sets, number line, balance beam, arrays, and cross product of sets. Expressing the remainder using various models is then presented, followed by comments on why all the models should be taught. (MNS)

Hydrologic consistency as a basis for assessing complexity of monthly water balance models for the continental United States

NASA Astrophysics Data System (ADS)

Martinez, Guillermo F.; Gupta, Hoshin V.

2011-12-01

Methods to select parsimonious and hydrologically consistent model structures are useful for evaluating dominance of hydrologic processes and representativeness of data. While information criteria (appropriately constrained to obey underlying statistical assumptions) can provide a basis for evaluating appropriate model complexity, it is not sufficient to rely upon the principle of maximum likelihood (ML) alone. We suggest that one must also call upon a "principle of hydrologic consistency," meaning that selected ML structures and parameter estimates must be constrained (as well as possible) to reproduce desired hydrological characteristics of the processes under investigation. This argument is demonstrated in the context of evaluating the suitability of candidate model structures for lumped water balance modeling across the continental United States, using data from 307 snow-free catchments. The models are constrained to satisfy several tests of hydrologic consistency, a flow space transformation is used to ensure better consistency with underlying statistical assumptions, and information criteria are used to evaluate model complexity relative to the data. The results clearly demonstrate that the principle of consistency provides a sensible basis for guiding selection of model structures and indicate strong spatial persistence of certain model structures across the continental United States. Further work to untangle reasons for model structure predominance can help to relate conceptual model structures to physical characteristics of the catchments, facilitating the task of prediction in ungaged basins.

Indirect addressing and load balancing for faster solution to Mandelbrot Set on SIMD architectures

NASA Technical Reports Server (NTRS)

Tomboulian, Sherryl

1989-01-01

SIMD computers with local indirect addressing allow programs to have queues and buffers, making certain kinds of problems much more efficient. Examined here are a class of problems characterized by computations on data points where the computation is identical, but the convergence rate is data dependent. Normally, in this situation, the algorithm time is governed by the maximum number of iterations required by each point. Using indirect addressing allows a processor to proceed to the next data point when it is done, reducing the overall number of iterations required to approach the mean convergence rate when a sufficiently large problem set is solved. Load balancing techniques can be applied for additional performance improvement. Simulations of this technique applied to solving Mandelbrot Sets indicate significant performance gains.

Signaling threat: how situational cues affect women in math, science, and engineering settings.

PubMed

Murphy, Mary C; Steele, Claude M; Gross, James J

2007-10-01

This study examined the cues hypothesis, which holds that situational cues, such as a setting's features and organization, can make potential targets vulnerable to social identity threat. Objective and subjective measures of identity threat were collected from male and female math, science, and engineering (MSE) majors who watched an MSE conference video depicting either an unbalanced ratio of men to women or a balanced ratio. Women who viewed the unbalanced video exhibited more cognitive and physiological vigilance, and reported a lower sense of belonging and less desire to participate in the conference, than did women who viewed the gender-balanced video. Men were unaffected by this situational cue. The implications for understanding vulnerability to social identity threat, particularly among women in MSE settings, are discussed.

Views on Biotic Nature and the Idea of Sustainable Development

NASA Astrophysics Data System (ADS)

Łepko, Zbigniew

2017-12-01

The search for balance between humankind's civilisational aspirations and the durable protection of nature is conditioned by contemporaneous views of biotic nature. Of particular importance in this regard are physiocentric and physiological views that may be set against one another. The first of these was presented by Hans Jonas, the second by Lothar Schäfer. This paper does not confine itself to setting one view against the other, but rather sets minimum conditions for cooperation between their promoters in the interests of balance between the aspirations of the present generation and those of future generations. Both views of nature are in their own way conducive to a break with the illusion present in some areas of the modern natural sciences - that nature is a boundless area of are inexhaustible resources.