We present new local hybrids of generalized gradient approximation exchange, designed to be small perturbations to the corresponding global hybrid. In general, local hybrids include a position-dependent admixture of nonlocal Hartree-Fock exchange. These new local hybrids incorporate a constant fraction of nonlocal ...
PubMed
In this contribution the author discusses models of two-body strong hadron decays. These models are expected to play a vital role in future attempts to identify unconventional hadrons such as glueballs and hybrids, through accurate predictions of the deca...
National Technical Information Service (NTIS)
In this work, a new statistical model for soot formation and growth is developed and presented. The Hybrid Method of Moments (HMOM) seeks to combine the advantages of two moment methods, the Method of Moments with Interpolative Closure (MOMIC) and the Direct Quadrature Method of Moments (DQMOM), in an accurate and consistent formulation. MOMIC is ...
Energy Citations Database
The determination of DNA hybridization reaction can apply the molecular biology research, clinic diagnostics, bioengineering, environment monitoring, food science and application area. So, the improvement of DNA hybridization detection method is very important for the determination of hybridization reaction. Several molecular ...
NASA Astrophysics Data System (ADS)
... Title : A METHODOLOGY FOR ACCURATELY PREDICTING DEMAND FOR AIRLIFT OF MILITARY CARGO TO OVERSEAS DESTINATIONS,. ...
DTIC Science & Technology
Accurate prediction of the phenotypic performance of a hybrid plant based on the molecular fingerprints of its parents should lead to a more cost-effective breeding programme as it allows to reduce the number of expensive field evaluations. The construction of a reliable prediction model requires a representative ...
In order to make accurate predictions of the oil production, reservoir engineers need to develop numerical methods giving approximate solutions describing as closely as possible the real behaviour of the oil field. To reduce the costs in terms of calculat...
We consider the hybridization of the resonance of a SRR metamaterial with the gyromagnetic material resonance of yittrium iron garnet (YIG) inclusions. The combination of an artificial structural resonance and natural material resonance generates a unique hybrid resonance that can be harnessed to make tunable metamaterials and further extend the range of ...
ion versus a totally unfolded or non-hybridized state. In the case of hybridization, the target is assumed to be the reverse complement, with possibly a few mismatches allowed, so that no computation is needed to determine the hybridized state. In some cases, melting temperatures are estimated by using ad hoc methods based on GC ...
E-print Network
A formulation is proposed for hybrid LES-RANS computations that permits accurate computations during
NASA Technical Reports Server (NTRS)
... Title : Fast and Accurate Prediction of Windborne Contaminant Plumes for Civil Defense in Cities. Descriptive Note : Conference paper. ...
... Accession Number : ADD200835. Title : An Accurate Prediction of Natural Frequencies of Laminated Plates by a Higher Order Theory. ...
The importance of real-time processing of solar data especially for space weather applications is increasing continuously. In this paper, we present an automated hybrid computer platform for the short-term prediction of significant solar flares using SOHO/Michelson Doppler Imager images. This platform is called the Automated Solar Activity ...
... EVSIM was designed to predict the performance of current electric vehicles or to be used in the design of electric/hybrid vehicles. ...
The development of theoretical failure, fatigue, and wear models for ultra-high molecular weight polyethylene (UHMWPE) used in joint replacements has been hindered by the lack of a validated constitutive model that can accurately predict large deformation mechanical behavior under clinically relevant, multiaxial loading conditions. Recently, a new ...
BackgroundThe probe percent bound value, calculated using multi-state equilibrium models of solution hybridization, is shown to be useful in understanding the hybridization behavior of microarray probes having 50 nucleotides, with and without mismatches. These longer oligonucleotides are in widespread use on microarrays, but there are few controlled ...
PubMed Central
Page 1. US GODAE: GLOBAL OCEAN PREDICTION WITH THE HYBRID COORDINATE OCEAN MODEL (HYCOM) Coordinator ...
... Accession Number : ADP011102. Title : Transition Prediction and Design Philosophy for Hybrid Laminar Flow Control for Military Aircraft. ...
... Title : Measurements versus Predictions for a Hybrid (Hydrostatic Plus Hydrodynamic) Thrust Bearing for a Range of Orifice Diameters. ...
Accurate prediction of the phenotypical performance of untested single-cross hybrids allows for a faster genetic progress of the breeding pool at a reduced cost. We propose a prediction method based on epsilon-insensitive support vector machine regression (epsilon-SVR). A brief overview of the theoretical ...
This paper uses accurate Fermi surface measurements as a test of hybridization models in CeSb. Detailed measurements of the Fermi surface geometry and effective masses are presented which show a number of unusual properties associated with the magnetic structure and anisotropy. Measurements are compared with predictions of a band ...
We use first-principles computational methods to examine hole trapping in organic molecular crystals. We present a computational scheme based on the tuning of the fraction of exact exchange in hybrid density functional theory to eliminate the many-electron self-interaction error. With small organic molecules, we show that this scheme gives accurate ...
This report examines the pressure drop and heat transfer characteristics of two-phase micro-channel heat sinks. New models and correlations are proposed for both saturated and subcooled boiling conditions. These tools are shown to provide accurate predict...
The key to weather prediction lies in accurately measuring these variables and feeding the data into numerical models that can predict changes in the ...
NASA Website
This paper presents a modelling of a Transverse Vernier Hybrid Reluctance Motor (TVHRM). The geometry of the magnetic circuit of this latter is especially 3D. The use of the 3D finite element method to do the analysis and to predetermine the motor characteristics is more accurate, but with an important computational time which makes unpractical a ...
The band energy differences of solids calculated with screened hybrid density functionals, such as the functional of Heyd-Scuseria-Ernzerhof (HSE), reproduce experimental band gaps with a high degree of accuracy. This unexpected result is here rationalized by observing that band energy differences obtained from generalized Kohn-Sham calculations with screened (short-range) ...
Equations based on the mixtures rule are presented for predicting the physical, thermal, hygral, and
When planning the design of high-current FODO transport for accelerators, it is useful to have simple, accurate tools for calculating quantities such as the phase advances {sigma}{sub 0} and !given the lattice and beam parameters. Along with the KV beam model, the smooth approximation is often used. It is simple but not very accurate in many cases. ...
DOE Information Bridge
A consistent hybrid large-eddy simulation/filtered-density-function approach (LES-FDF) is formulated for variable-density low-Mach-number flows. The LES-FDF approach has been proposed as a suitable method for finite-rate-chemistry-based predictive modeling of turbulent reactive flows. Due to the large computational grid associated with LES, use of ...
We present a hybrid density functional theory (DFT) study of doping effects in ?-Fe2O3, hematite. Standard DFT underestimates the band gap by roughly 75% and incorrectly identifies hematite as a Mott-Hubbard insulator. Hybrid DFT accurately predicts the proper structural, magnetic, and electronic properties of ...
High-density oligonucleotide microarrays enable simultaneous monitoring of expression levels of tens of thousands of transcripts. For accurate detection and quantitation of transcripts in the presence of cellular mRNA, it is essential to design microarrays whose oligonucleotide probes produce hybridization intensities that accurately ...
We present a hybrid density functional theory (DFT) study of doping effects in ?-Fe(2)O(3), hematite. Standard DFT underestimates the band gap by roughly 75% and incorrectly identifies hematite as a Mott-Hubbard insulator. Hybrid DFT accurately predicts the proper structural, magnetic, and electronic properties of ...
We evaluated the phenotypic and genotypic stability and adaptability of hybrids using the additive main effect and multiplicative interaction (AMMI) and genotype x genotype-environment interaction (GGE) biplot models. Starting with 10 single-cross hybrids, a complete diallel was done, resulting in 45 double-cross hybrids that were ...
Forecasting stock exchange rates is an important financial problem that is receiving increasing attention. During the last few years, a number of neural network models and hybrid models have been proposed for obtaining accurate prediction results, in an attempt to outperform the traditional linear and nonlinear approaches. This paper ...
The performance of novel devices, e.g., HEMTs based on semiconductor heterostructures, depend strongly on their conduction and valence band-offsets. However, conventional density functional theory based on LDA and GGA fails for narrow-gap semiconductors such as InAs, predicting it to be a metal. An accurate treatment of such systems requires ...
For several tasks in sensor networks, such as localization, information fusion, or sensor scheduling, Bayesian estimation is of paramount importance. Due to the limited computational and memory resources of the nodes in a sensor network, evaluation of the prediction step of the Bayesian estimator has to be performed very efficiently. An exact and closed-form representation of ...
A laminated curved-beam finite element with six displacement degrees of freedom and three stress parameters is derived and evaluated. Both thermal and hygrothermal effects are included. The element is based on the Hellinger-Reissner principle and the hybrid-mixed formulation. The Timoshenko beam theory and classical lamination theory are employed in the finite element ...
... Title: An Efficient and Accurate Method of Estimating Substrate ... This thesis presents a Z-parameter based model to predict the substrate ...
A new practical application of neural network (NN) techniques to environmental numerical modeling has been developed. Namely, a new type of numerical model, a complex hybrid environmental model based on a synergetic combination of deterministic and machine learning model components, has been introduced. Conceptual and practical possibilities of developing ...
In this study, a hybrid learning algorithm for training the Dynamic Synapse Neural Network (DSNN) to high accurate prediction of congestion in TCP computer networks is introduced. The idea behind this technique is to inform the TCP transmitters of congestion before it happens and to make transmitters decrease their data sending rate to ...
Twelve organic compounds commonly found at hazardous waste sites were studied for uptake by hybrid poplar trees. The vegetative uptake of many of these compounds has not previously been demonstrated for plant species being utilized for phytoremediation, such as hybrid poplar trees. Experiments were conducted hydroponically utilizing {sup 14}C-labeled ...
... G. R. 1996. Hybrid wood warblers, Dendroica striata � Dendroica castanea (Aves: Fringillidae: Tribe Parulini) and the diagnostic predictability ... ...
NBII National Biological Information Infrastructure
Nov 24, 2008 ... A consistent and accurate Hybrid gaskinetic BGK and DSMC method, ... Typical applications are for launch vehicles in space access, ...
Sep 16, 2008 ... A consistent and accurate Hybrid gaskinetic BGK and DSMC method, ... Typical applications are for launch vehicles in space access, ...
We derive the form for an exact exchange energy density for a density decaying with Gaussian-like behavior at long range. Based on this, we develop the X3LYP (extended hybrid functional combined with Lee�Yang�Parr correlation functional) extended functional for density functional theory to significantly improve the accuracy for hydrogen-bonded and van der Waals complexes ...
Hybrid simulations were conducted to investigate effects of the friction damper on seismic behavior of a composite structure consisting of an old concrete structure and a new steel frame. The hybrid simulation results have indicated that the cyclical behavior of the friction damper made of steel plate and aluminum plate could be ...
The number of no-shows has a significant impact on the revenue, cost and resource utilization for almost all healthcare systems. In this study we develop a hybrid probabilistic model based on logistic regression and empirical Bayesian inference to predict the probability of no-shows in real time using both general patient social and demographic information ...
Semiconductor alloy heterostructures are the backbone of optoelectronic devices. Among the most important parameters that determine the utility of heterostructure devices are the valence and conduction band offsets. Although DFT with standard functionals such as LDA or PBE does an acceptable job for valence band offsets, it fails to predict accurate ...
A reoptimized density functional theory (DFT) hybrid functional gives orbitals and energies which when substituted into the uncoupled generalized gradient approximation (GGA) sumover-states expressions gives NMR shielding constants of high accuracy for first- and second-row nuclei. This procedure is validated further and its performance compared against well established ...
Accurate hybrid stochastic simulation of a system of coupled chemical or biochemical reactions reactions, approximates the fast reactions as a continuous Markov process, using a chemical Langevin multiple slow reactions may occur within a time step of the numerical integration of the chemical Langevin
... US GODAE Global Ocean Prediction with the HYbrid Coordinate Ocean Model (HYCOM) ... Ocean Modelling 4:55-88. Bleck, R., and EP Chassignet. ...
202 2009 NRL REVIEW OCEAN SCIENCE AND TECHNOLOGY Predicting �Ocean Weather� Using the HYbrid Coordinate Ocean Model (HYCOM) ...
Page 1. Ocean Weather Forecasting ... Page 5. Chapter 16 OCEAN PREDICTION WITH THE HYBRID COORDINATE OCEAN MODEL (HYCOM) ...
... Accession Number : ADD814918. Title : Hybrid-Based PLC Control Predicts, Optimizes Product Quality. Descriptive Note : Journal article,. ...
In the last years various systems have been developed for controlling, planning and predicting the traffic of persons and vehicles, in particular under security aspects. Going beyond pure counting and statistical models, approaches were found to be very adequate and accurate which are based on well-known concepts originally developed in very different ...
The problems of pulse on pulse pile-up and noise limited pile-up rejectors are considered in detail for Rutherford backscattering spectra. The forms of these spectra allow the distortions from pile-up and the residual pile-up after rejection to be understood via a simple model. Extended calculations allow us to predict the effects quite accurately. A new ...
A new hybrid method for the analysis of diffractive optical elements, which combines fully vectorial and scalar theories, is presented. It is suitable for use with elements of arbitrary large zone, even when the local feature size is of the order of the wavelength. To assess its applicability, we have performed cross-checking tests. The model is shown to ...
... Often, the manufacturers of these engines do not make accurate and reliable detailed engine performance data available for their engines. ...
Hybrid (quantum mechanics/molecular mechanics) theoretical techniques will be discussed that may allow to obtain accurate vibrational spectra of ...
The vibrational corrections and the temperature dependence of the specific rotation of six rigid organic molecules (alpha-pinene, beta-pinene, cis-pinane, camphene, camphor, and fenchone) were calculated at three wavelengths using hybrid time-dependent density functional theory (TDDFT). A technique for calculating the temperature dependence of the vibrational average of a ...
The performance of the gradient-corrected BLYP density functional and the hybrid B3LYP functional has been studied in calculations of bond energies of Si-H-Cl containing molecules involved in thermal chemical vapor deposition processes of silicon. Calculated atomization energies using the BLYP and B3LYP functionals are in better agreement with experiment (typically within 10 ...
Ultra-high molecular weight polyethylene (UHMWPE) is extensively used in total joint replacements. Wear, fatigue, and fracture have limited the longevity of UHMWPE components. For this reason, significant effort has been directed towards understanding the failure and wear mechanisms of UHMWPE, both at a micro-scale and a macro-scale, within the context of joint replacements. We have previously ...
Computational chemists have long demonstrated great interest in finding ways to reliably and accurately predict the molecular properties for transition metal containing complexes. This manuscript is a continuation of our validation efforts of Density Functional Theory (DFT) methods when applied to transition metal containing systems (K. E. Riley; K. M. ...
Computational chemists have long demonstrated great interest in finding ways to reliably and accurately predict the molecular properties for transition-metal-containing complexes. This study is a continuation of our validation efforts of density functional theory (DFT) methods when applied to transition-metal-containing systems (Riley, K.E.; Merz, K. M., ...
Recommender systems use data on past user preferences to predict possible future likes and interests. A key challenge is that while the most useful individual recommendations are to be found among diverse niche objects, the most reliably accurate results are obtained by methods that recommend objects based on user or object similarity. In this paper we ...
In this paper, we investigate into an approach to predict the magnet temperature in interior permanent magnet synchronous generator for mass-produced front engine rear drive hybrid vehicles. To achieve an accurate thermal analysis, the generator losses under PWM converter drive are firstly calculated by 3D-FEM using measured current ...
The economic and political constraints which allow, justify, and require flight control simulations are examined. Factors such as range time availability and cost increases are shown to drive the designer toward providing 100 percent assurance of each test. A six degree of freedom hybrid simulation is described, and equipment plus operating costs are identified and contrasted ...
... Predictions of the California Current System via Accurate Light ... ECOSYSTEMS, OCEAN CURRENTS, CALIFORNIA, VISIBILITY, COMPUTATIONS ...
... Ecosystem Predictions of the California Current System via Accurate Light ... Descriptors : *ECOSYSTEMS, OCEAN CURRENTS, OCEAN MODELS ...
Accurate life prediction is critical to successful use of ceramic matrix composites (CMC). The tools
... Density Prediction Herman L. Ammon (Department of Chemistry and Biochemistry ... The work- horse refinement code WMIN, developed in the late ...
We present results from a hybrid simulation and integral equation approach to the calculation of polymer melt properties. The simulation consists of explicit Monte Carlo (MC) sampling of two polymer molecules, where the effect of the surrounding chains is accounted for by an HNC solvation potential. The solvation potential is determined from the Polymer Reference Interaction ...
Building level energy models are important to provide accurate prediction of energy consumption for building performance diagnosis and energy efficiency assessment of retrofitting alternatives for building performance upgrading. Simplified but physically meaningful models for existing buildings are preferable for practical applications. In this study, a ...
Modern buildings require continuous performance monitoring, automatic diagnostics and optimal supervisory control. For these applications, simplified dynamic building models are needed to predict the cooling and heating requirement viewing the building as a whole system. This paper proposes a new hybrid model. Half of the model is represented by detailed ...
Carbon nanotube surfaces, activated and randomly decorated with metal nanoclusters, have been studied in uniquely combined theoretical and experimental approaches as prototypes for molecular recognition. The key concept is to shape metallic clusters that donate or accept a fractional charge upon adsorption of a target molecule, and modify the electron transport in the nanotube. The present work ...
The extent to which a passive system degrades the performance of an active solar space heating system was investigated, and a correction factor to account for these interactions was developed. The transient system simulation program TRNSYS is used to simulate the hour-by-hour performance of combined active-passive (hybrid) space heating systems in order to compare the active ...
This thesis deals with mathematical modeling of PEM fuel cells. The resulting process models can be used to make decisions such as operating conditions, sensitivity analysis and to explore regimes of process operation that are not reachable. This thesis consists of two parts. The first part is artificial neural network (ANN) modeling of PEM fuel cells. The second part is the two-dimensional ...
The explicit planetary isentropic coordinate (EPIC) atmospheric model has been upgraded to use a hybrid vertical coordinate, ?, that transitions continuously from potential temperature, ?, aloft to a function of a pressure coordinate, ?, that is terrain following near topography. The result is a model that simulates terrestrial and gas-giant atmospheres equally well. ...
The fundamental and optical gaps of relevant molecular systems are of primary importance for organic-based photovoltaics. Unfortunately, whereas optical gaps are accessible with time-dependent density functional theory (DFT), the highest-occupied - lowest-unoccupied eigenvalue gaps resulting from DFT calculations with semi-local or hybrid functionals routinely and severely ...
A recent test for the existence of suture zones in North America, based on hybrid zones studied since 1970, found support for only two of the 13 suture zones identified by Remington in 1968 (Swenson and Howard 2004). One limitation of that recent study was the relatively small number of hybrid zones available for mapping. In this study, we search for ...
The ab initio prediction of band gaps for solids is important for fundamental and practical reasons. Many approaches exist to remedy the "band gap problem" in Density Functional Theory (DFT) in which band gaps are severely underestimated. We recently proposed the ?-sol method [1], an adaptation of the ?SCF method towards solids, in which the fundamental gap is evaluated using ...
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Synthetic streamflow data generation involves the synthesis of likely streamflow patterns that are statistically indistinguishable from the observed streamflow data. The various kinds of stochastic models adopted for multi-season streamflow generation in hydrology are: i) parametric models which hypothesize the form of the periodic dependence structure and the distributional form a priori ...
The overall goal of this project is to develop, implement, and test new Hybrid Monte Carlo-deterministic (or simply Hybrid) methods for the more efficient and more accurate calculation of nuclear engineering criticality problems. These new methods will ma...
... hybrid) vehicle. The benefits of having the predicted drive cycle available are demonstrated through simulation. I. INTRODUCTION ...
... hybrid) vehicle. The benefits of having the predicted drive cycle available are demonstrated through simulation. Descriptors ...
Hybrid (electron fluid, kinetic ion) simulations have recently emerged in large-scale laboratory (spheromak, FRC) and global magnetospheric studies with the goal of accurately predicting energetic particle transport in complex plasma/magnetic configurations. Multiple temporal scales associated with both plasma and magnetic field ...
Package consisting of three separate programs used to accurately predict temperature distribution of
Sublimation of inorganic materials in the vacuum of space can be predicted accurately from knowledge
... Descriptors : *ENERGETIC PROPERTIES, QUANTUM ... MOLECULAR DYNAMICS, CHEMICAL REACTIONS ... THRUST, QUANTUM CHEMISTRY ...
Orbit Determination. Generation of accurate reconstructed and predicted trajectories using a combination of tracking data types. ...
... TO ACCURATE FAILURE STRENGTH ESTIMATION IS THE ESTABLISHMENT OF AN ULTIMATE STRENGTH PREDICTION CURVE ...
