Accurate Modeling of Ionospheric Electromagnetic Fields Generated by a Low Altitude VLF Transmitter
2009-03-31
AFRL-RV-HA-TR-2009-1055 Accurate Modeling of Ionospheric Electromagnetic Fields Generated by a Low Altitude VLF Transmitter ...m (or even 500 m) at mid to high latitudes . At low latitudes , the FDTD model exhibits variations that make it difficult to determine a reliable...Scientific, Final 3. DATES COVERED (From - To) 02-08-2006 – 31-12-2008 4. TITLE AND SUBTITLE Accurate Modeling of Ionospheric Electromagnetic Fields
Accurate Modeling of Dark-Field Scattering Spectra of Plasmonic Nanostructures.
Jiang, Liyong; Yin, Tingting; Dong, Zhaogang; Liao, Mingyi; Tan, Shawn J; Goh, Xiao Ming; Allioux, David; Hu, Hailong; Li, Xiangyin; Yang, Joel K W; Shen, Zexiang
2015-10-27
Dark-field microscopy is a widely used tool for measuring the optical resonance of plasmonic nanostructures. However, current numerical methods for simulating the dark-field scattering spectra were carried out with plane wave illumination either at normal incidence or at an oblique angle from one direction. In actual experiments, light is focused onto the sample through an annular ring within a range of glancing angles. In this paper, we present a theoretical model capable of accurately simulating the dark-field light source with an annular ring. Simulations correctly reproduce a counterintuitive blue shift in the scattering spectra from gold nanodisks with a diameter beyond 140 nm. We believe that our proposed simulation method can be potentially applied as a general tool capable of simulating the dark-field scattering spectra of plasmonic nanostructures as well as other dielectric nanostructures with sizes beyond the quasi-static limit.
Accurate, efficient, and (iso)geometrically flexible collocation methods for phase-field models
NASA Astrophysics Data System (ADS)
Gomez, Hector; Reali, Alessandro; Sangalli, Giancarlo
2014-04-01
We propose new collocation methods for phase-field models. Our algorithms are based on isogeometric analysis, a new technology that makes use of functions from computational geometry, such as, for example, Non-Uniform Rational B-Splines (NURBS). NURBS exhibit excellent approximability and controllable global smoothness, and can represent exactly most geometries encapsulated in Computer Aided Design (CAD) models. These attributes permitted us to derive accurate, efficient, and geometrically flexible collocation methods for phase-field models. The performance of our method is demonstrated by several numerical examples of phase separation modeled by the Cahn-Hilliard equation. We feel that our method successfully combines the geometrical flexibility of finite elements with the accuracy and simplicity of pseudo-spectral collocation methods, and is a viable alternative to classical collocation methods.
NASA Astrophysics Data System (ADS)
Pineda, M.; Stamatakis, M.
2017-07-01
Modeling the kinetics of surface catalyzed reactions is essential for the design of reactors and chemical processes. The majority of microkinetic models employ mean-field approximations, which lead to an approximate description of catalytic kinetics by assuming spatially uncorrelated adsorbates. On the other hand, kinetic Monte Carlo (KMC) methods provide a discrete-space continuous-time stochastic formulation that enables an accurate treatment of spatial correlations in the adlayer, but at a significant computation cost. In this work, we use the so-called cluster mean-field approach to develop higher order approximations that systematically increase the accuracy of kinetic models by treating spatial correlations at a progressively higher level of detail. We further demonstrate our approach on a reduced model for NO oxidation incorporating first nearest-neighbor lateral interactions and construct a sequence of approximations of increasingly higher accuracy, which we compare with KMC and mean-field. The latter is found to perform rather poorly, overestimating the turnover frequency by several orders of magnitude for this system. On the other hand, our approximations, while more computationally intense than the traditional mean-field treatment, still achieve tremendous computational savings compared to KMC simulations, thereby opening the way for employing them in multiscale modeling frameworks.
Coarse-Graining Polymer Field Theory for Fast and Accurate Simulations of Directed Self-Assembly
NASA Astrophysics Data System (ADS)
Liu, Jimmy; Delaney, Kris; Fredrickson, Glenn
To design effective manufacturing processes using polymer directed self-assembly (DSA), the semiconductor industry benefits greatly from having a complete picture of stable and defective polymer configurations. Field-theoretic simulations are an effective way to study these configurations and predict defect populations. Self-consistent field theory (SCFT) is a particularly successful theory for studies of DSA. Although other models exist that are faster to simulate, these models are phenomenological or derived through asymptotic approximations, often leading to a loss of accuracy relative to SCFT. In this study, we employ our recently-developed method to produce an accurate coarse-grained field theory for diblock copolymers. The method uses a force- and stress-matching strategy to map output from SCFT simulations into parameters for an optimized phase field model. This optimized phase field model is just as fast as existing phenomenological phase field models, but makes more accurate predictions of polymer self-assembly, both in bulk and in confined systems. We study the performance of this model under various conditions, including its predictions of domain spacing, morphology and defect formation energies. Samsung Electronics.
Light Field Imaging Based Accurate Image Specular Highlight Removal
Wang, Haoqian; Xu, Chenxue; Wang, Xingzheng; Zhang, Yongbing; Peng, Bo
2016-01-01
Specular reflection removal is indispensable to many computer vision tasks. However, most existing methods fail or degrade in complex real scenarios for their individual drawbacks. Benefiting from the light field imaging technology, this paper proposes a novel and accurate approach to remove specularity and improve image quality. We first capture images with specularity by the light field camera (Lytro ILLUM). After accurately estimating the image depth, a simple and concise threshold strategy is adopted to cluster the specular pixels into “unsaturated” and “saturated” category. Finally, a color variance analysis of multiple views and a local color refinement are individually conducted on the two categories to recover diffuse color information. Experimental evaluation by comparison with existed methods based on our light field dataset together with Stanford light field archive verifies the effectiveness of our proposed algorithm. PMID:27253083
Chowdhury, Amor; Sarjaš, Andrej
2016-01-01
The presented paper describes accurate distance measurement for a field-sensed magnetic suspension system. The proximity measurement is based on a Hall effect sensor. The proximity sensor is installed directly on the lower surface of the electro-magnet, which means that it is very sensitive to external magnetic influences and disturbances. External disturbances interfere with the information signal and reduce the usability and reliability of the proximity measurements and, consequently, the whole application operation. A sensor fusion algorithm is deployed for the aforementioned reasons. The sensor fusion algorithm is based on the Unscented Kalman Filter, where a nonlinear dynamic model was derived with the Finite Element Modelling approach. The advantage of such modelling is a more accurate dynamic model parameter estimation, especially in the case when the real structure, materials and dimensions of the real-time application are known. The novelty of the paper is the design of a compact electro-magnetic actuator with a built-in low cost proximity sensor for accurate proximity measurement of the magnetic object. The paper successively presents a modelling procedure with the finite element method, design and parameter settings of a sensor fusion algorithm with Unscented Kalman Filter and, finally, the implementation procedure and results of real-time operation. PMID:27649197
Chowdhury, Amor; Sarjaš, Andrej
2016-09-15
The presented paper describes accurate distance measurement for a field-sensed magnetic suspension system. The proximity measurement is based on a Hall effect sensor. The proximity sensor is installed directly on the lower surface of the electro-magnet, which means that it is very sensitive to external magnetic influences and disturbances. External disturbances interfere with the information signal and reduce the usability and reliability of the proximity measurements and, consequently, the whole application operation. A sensor fusion algorithm is deployed for the aforementioned reasons. The sensor fusion algorithm is based on the Unscented Kalman Filter, where a nonlinear dynamic model was derived with the Finite Element Modelling approach. The advantage of such modelling is a more accurate dynamic model parameter estimation, especially in the case when the real structure, materials and dimensions of the real-time application are known. The novelty of the paper is the design of a compact electro-magnetic actuator with a built-in low cost proximity sensor for accurate proximity measurement of the magnetic object. The paper successively presents a modelling procedure with the finite element method, design and parameter settings of a sensor fusion algorithm with Unscented Kalman Filter and, finally, the implementation procedure and results of real-time operation.
Modelling of induced electric fields based on incompletely known magnetic fields
NASA Astrophysics Data System (ADS)
Laakso, Ilkka; De Santis, Valerio; Cruciani, Silvano; Campi, Tommaso; Feliziani, Mauro
2017-08-01
Determining the induced electric fields in the human body is a fundamental problem in bioelectromagnetics that is important for both evaluation of safety of electromagnetic fields and medical applications. However, existing techniques for numerical modelling of induced electric fields require detailed information about the sources of the magnetic field, which may be unknown or difficult to model in realistic scenarios. Here, we show how induced electric fields can accurately be determined in the case where the magnetic fields are known only approximately, e.g. based on field measurements. The robustness of our approach is shown in numerical simulations for both idealized and realistic scenarios featuring a personalized MRI-based head model. The approach allows for modelling of the induced electric fields in biological bodies directly based on real-world magnetic field measurements.
Machine Learning of Accurate Energy-Conserving Molecular Force Fields
NASA Astrophysics Data System (ADS)
Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel; Poltavsky, Igor; Schütt, Kristof; Müller, Klaus-Robert; GDML Collaboration
Efficient and accurate access to the Born-Oppenheimer potential energy surface (PES) is essential for long time scale molecular dynamics (MD) simulations. Using conservation of energy - a fundamental property of closed classical and quantum mechanical systems - we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio MD trajectories (AIMD). The GDML implementation is able to reproduce global potential-energy surfaces of intermediate-size molecules with an accuracy of 0.3 kcal/mol for energies and 1 kcal/mol/Å for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, malonaldehyde, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative MD simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods.
Accurate force field for molybdenum by machine learning large materials data
NASA Astrophysics Data System (ADS)
Chen, Chi; Deng, Zhi; Tran, Richard; Tang, Hanmei; Chu, Iek-Heng; Ong, Shyue Ping
2017-09-01
In this work, we present a highly accurate spectral neighbor analysis potential (SNAP) model for molybdenum (Mo) developed through the rigorous application of machine learning techniques on large materials data sets. Despite Mo's importance as a structural metal, existing force fields for Mo based on the embedded atom and modified embedded atom methods do not provide satisfactory accuracy on many properties. We will show that by fitting to the energies, forces, and stress tensors of a large density functional theory (DFT)-computed dataset on a diverse set of Mo structures, a Mo SNAP model can be developed that achieves close to DFT accuracy in the prediction of a broad range of properties, including elastic constants, melting point, phonon spectra, surface energies, grain boundary energies, etc. We will outline a systematic model development process, which includes a rigorous approach to structural selection based on principal component analysis, as well as a differential evolution algorithm for optimizing the hyperparameters in the model fitting so that both the model error and the property prediction error can be simultaneously lowered. We expect that this newly developed Mo SNAP model will find broad applications in large and long-time scale simulations.
Accurate evaluation of exchange fields in finite element micromagnetic solvers
NASA Astrophysics Data System (ADS)
Chang, R.; Escobar, M. A.; Li, S.; Lubarda, M. V.; Lomakin, V.
2012-04-01
Quadratic basis functions (QBFs) are implemented for solving the Landau-Lifshitz-Gilbert equation via the finite element method. This involves the introduction of a set of special testing functions compatible with the QBFs for evaluating the Laplacian operator. The results by using QBFs are significantly more accurate than those via linear basis functions. QBF approach leads to significantly more accurate results than conventionally used approaches based on linear basis functions. Importantly QBFs allow reducing the error of computing the exchange field by increasing the mesh density for structured and unstructured meshes. Numerical examples demonstrate the feasibility of the method.
Towards accurate cosmological predictions for rapidly oscillating scalar fields as dark matter
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ureña-López, L. Arturo; Gonzalez-Morales, Alma X., E-mail: lurena@ugto.mx, E-mail: alma.gonzalez@fisica.ugto.mx
2016-07-01
As we are entering the era of precision cosmology, it is necessary to count on accurate cosmological predictions from any proposed model of dark matter. In this paper we present a novel approach to the cosmological evolution of scalar fields that eases their analytic and numerical analysis at the background and at the linear order of perturbations. The new method makes use of appropriate angular variables that simplify the writing of the equations of motion, and which also show that the usual field variables play a secondary role in the cosmological dynamics. We apply the method to a scalar fieldmore » endowed with a quadratic potential and revisit its properties as dark matter. Some of the results known in the literature are recovered, and a better understanding of the physical properties of the model is provided. It is confirmed that there exists a Jeans wavenumber k {sub J} , directly related to the suppression of linear perturbations at wavenumbers k > k {sub J} , and which is verified to be k {sub J} = a √ mH . We also discuss some semi-analytical results that are well satisfied by the full numerical solutions obtained from an amended version of the CMB code CLASS. Finally we draw some of the implications that this new treatment of the equations of motion may have in the prediction of cosmological observables from scalar field dark matter models.« less
Mental models accurately predict emotion transitions.
Thornton, Mark A; Tamir, Diana I
2017-06-06
Successful social interactions depend on people's ability to predict others' future actions and emotions. People possess many mechanisms for perceiving others' current emotional states, but how might they use this information to predict others' future states? We hypothesized that people might capitalize on an overlooked aspect of affective experience: current emotions predict future emotions. By attending to regularities in emotion transitions, perceivers might develop accurate mental models of others' emotional dynamics. People could then use these mental models of emotion transitions to predict others' future emotions from currently observable emotions. To test this hypothesis, studies 1-3 used data from three extant experience-sampling datasets to establish the actual rates of emotional transitions. We then collected three parallel datasets in which participants rated the transition likelihoods between the same set of emotions. Participants' ratings of emotion transitions predicted others' experienced transitional likelihoods with high accuracy. Study 4 demonstrated that four conceptual dimensions of mental state representation-valence, social impact, rationality, and human mind-inform participants' mental models. Study 5 used 2 million emotion reports on the Experience Project to replicate both of these findings: again people reported accurate models of emotion transitions, and these models were informed by the same four conceptual dimensions. Importantly, neither these conceptual dimensions nor holistic similarity could fully explain participants' accuracy, suggesting that their mental models contain accurate information about emotion dynamics above and beyond what might be predicted by static emotion knowledge alone.
Mental models accurately predict emotion transitions
Thornton, Mark A.; Tamir, Diana I.
2017-01-01
Successful social interactions depend on people’s ability to predict others’ future actions and emotions. People possess many mechanisms for perceiving others’ current emotional states, but how might they use this information to predict others’ future states? We hypothesized that people might capitalize on an overlooked aspect of affective experience: current emotions predict future emotions. By attending to regularities in emotion transitions, perceivers might develop accurate mental models of others’ emotional dynamics. People could then use these mental models of emotion transitions to predict others’ future emotions from currently observable emotions. To test this hypothesis, studies 1–3 used data from three extant experience-sampling datasets to establish the actual rates of emotional transitions. We then collected three parallel datasets in which participants rated the transition likelihoods between the same set of emotions. Participants’ ratings of emotion transitions predicted others’ experienced transitional likelihoods with high accuracy. Study 4 demonstrated that four conceptual dimensions of mental state representation—valence, social impact, rationality, and human mind—inform participants’ mental models. Study 5 used 2 million emotion reports on the Experience Project to replicate both of these findings: again people reported accurate models of emotion transitions, and these models were informed by the same four conceptual dimensions. Importantly, neither these conceptual dimensions nor holistic similarity could fully explain participants’ accuracy, suggesting that their mental models contain accurate information about emotion dynamics above and beyond what might be predicted by static emotion knowledge alone. PMID:28533373
Accurate van der Waals force field for gas adsorption in porous materials.
Sun, Lei; Yang, Li; Zhang, Ya-Dong; Shi, Qi; Lu, Rui-Feng; Deng, Wei-Qiao
2017-09-05
An accurate van der Waals force field (VDW FF) was derived from highly precise quantum mechanical (QM) calculations. Small molecular clusters were used to explore van der Waals interactions between gas molecules and porous materials. The parameters of the accurate van der Waals force field were determined by QM calculations. To validate the force field, the prediction results from the VDW FF were compared with standard FFs, such as UFF, Dreiding, Pcff, and Compass. The results from the VDW FF were in excellent agreement with the experimental measurements. This force field can be applied to the prediction of the gas density (H 2 , CO 2 , C 2 H 4 , CH 4 , N 2 , O 2 ) and adsorption performance inside porous materials, such as covalent organic frameworks (COFs), zeolites and metal organic frameworks (MOFs), consisting of H, B, N, C, O, S, Si, Al, Zn, Mg, Ni, and Co. This work provides a solid basis for studying gas adsorption in porous materials. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
NASA Astrophysics Data System (ADS)
Bauer, Sebastian; Mathias, Gerald; Tavan, Paul
2014-03-01
We present a reaction field (RF) method which accurately solves the Poisson equation for proteins embedded in dielectric solvent continua at a computational effort comparable to that of an electrostatics calculation with polarizable molecular mechanics (MM) force fields. The method combines an approach originally suggested by Egwolf and Tavan [J. Chem. Phys. 118, 2039 (2003)] with concepts generalizing the Born solution [Z. Phys. 1, 45 (1920)] for a solvated ion. First, we derive an exact representation according to which the sources of the RF potential and energy are inducible atomic anti-polarization densities and atomic shielding charge distributions. Modeling these atomic densities by Gaussians leads to an approximate representation. Here, the strengths of the Gaussian shielding charge distributions are directly given in terms of the static partial charges as defined, e.g., by standard MM force fields for the various atom types, whereas the strengths of the Gaussian anti-polarization densities are calculated by a self-consistency iteration. The atomic volumes are also described by Gaussians. To account for covalently overlapping atoms, their effective volumes are calculated by another self-consistency procedure, which guarantees that the dielectric function ɛ(r) is close to one everywhere inside the protein. The Gaussian widths σi of the atoms i are parameters of the RF approximation. The remarkable accuracy of the method is demonstrated by comparison with Kirkwood's analytical solution for a spherical protein [J. Chem. Phys. 2, 351 (1934)] and with computationally expensive grid-based numerical solutions for simple model systems in dielectric continua including a di-peptide (Ac-Ala-NHMe) as modeled by a standard MM force field. The latter example shows how weakly the RF conformational free energy landscape depends on the parameters σi. A summarizing discussion highlights the achievements of the new theory and of its approximate solution particularly by
Bauer, Sebastian; Mathias, Gerald; Tavan, Paul
2014-03-14
We present a reaction field (RF) method which accurately solves the Poisson equation for proteins embedded in dielectric solvent continua at a computational effort comparable to that of an electrostatics calculation with polarizable molecular mechanics (MM) force fields. The method combines an approach originally suggested by Egwolf and Tavan [J. Chem. Phys. 118, 2039 (2003)] with concepts generalizing the Born solution [Z. Phys. 1, 45 (1920)] for a solvated ion. First, we derive an exact representation according to which the sources of the RF potential and energy are inducible atomic anti-polarization densities and atomic shielding charge distributions. Modeling these atomic densities by Gaussians leads to an approximate representation. Here, the strengths of the Gaussian shielding charge distributions are directly given in terms of the static partial charges as defined, e.g., by standard MM force fields for the various atom types, whereas the strengths of the Gaussian anti-polarization densities are calculated by a self-consistency iteration. The atomic volumes are also described by Gaussians. To account for covalently overlapping atoms, their effective volumes are calculated by another self-consistency procedure, which guarantees that the dielectric function ε(r) is close to one everywhere inside the protein. The Gaussian widths σ(i) of the atoms i are parameters of the RF approximation. The remarkable accuracy of the method is demonstrated by comparison with Kirkwood's analytical solution for a spherical protein [J. Chem. Phys. 2, 351 (1934)] and with computationally expensive grid-based numerical solutions for simple model systems in dielectric continua including a di-peptide (Ac-Ala-NHMe) as modeled by a standard MM force field. The latter example shows how weakly the RF conformational free energy landscape depends on the parameters σ(i). A summarizing discussion highlights the achievements of the new theory and of its approximate solution particularly by
NASA Astrophysics Data System (ADS)
Missif, Lial Raja; Kadhum, Mohammad M.
2017-09-01
Wireless Sensor Network (WSN) has been widely used for monitoring where sensors are deployed to operate independently to sense abnormal phenomena. Most of the proposed environmental monitoring systems are designed based on a predetermined sensing range which does not reflect the sensor reliability, event characteristics, and the environment conditions. Measuring of the capability of a sensor node to accurately detect an event within a sensing field is of great important for monitoring applications. This paper presents an efficient mechanism for even detection based on probabilistic sensing model. Different models have been presented theoretically in this paper to examine their adaptability and applicability to the real environment applications. The numerical results of the experimental evaluation have showed that the probabilistic sensing model provides accurate observation and delectability of an event, and it can be utilized for different environment scenarios.
An Accurate Absorption-Based Net Primary Production Model for the Global Ocean
NASA Astrophysics Data System (ADS)
Silsbe, G.; Westberry, T. K.; Behrenfeld, M. J.; Halsey, K.; Milligan, A.
2016-02-01
As a vital living link in the global carbon cycle, understanding how net primary production (NPP) varies through space, time, and across climatic oscillations (e.g. ENSO) is a key objective in oceanographic research. The continual improvement of ocean observing satellites and data analytics now present greater opportunities for advanced understanding and characterization of the factors regulating NPP. In particular, the emergence of spectral inversion algorithms now permits accurate retrievals of the phytoplankton absorption coefficient (aΦ) from space. As NPP is the efficiency in which absorbed energy is converted into carbon biomass, aΦ measurements circumvents chlorophyll-based empirical approaches by permitting direct and accurate measurements of phytoplankton energy absorption. It has long been recognized, and perhaps underappreciated, that NPP and phytoplankton growth rates display muted variability when normalized to aΦ rather than chlorophyll. Here we present a novel absorption-based NPP model that parameterizes the underlying physiological mechanisms behind this muted variability, and apply this physiological model to the global ocean. Through a comparison against field data from the Hawaii and Bermuda Ocean Time Series, we demonstrate how this approach yields more accurate NPP measurements than other published NPP models. By normalizing NPP to satellite estimates of phytoplankton carbon biomass, this presentation also explores the seasonality of phytoplankton growth rates across several oceanic regions. Finally, we discuss how future advances in remote-sensing (e.g. hyperspectral satellites, LIDAR, autonomous profilers) can be exploited to further improve absorption-based NPP models.
Wang, Boshuo; Aberra, Aman S; Grill, Warren M; Peterchev, Angel V
2018-04-01
We present a theory and computational methods to incorporate transverse polarization of neuronal membranes into the cable equation to account for the secondary electric field generated by the membrane in response to transverse electric fields. The effect of transverse polarization on nonlinear neuronal activation thresholds is quantified and discussed in the context of previous studies using linear membrane models. The response of neuronal membranes to applied electric fields is derived under two time scales and a unified solution of transverse polarization is given for spherical and cylindrical cell geometries. The solution is incorporated into the cable equation re-derived using an asymptotic model that separates the longitudinal and transverse dimensions. Two numerical methods are proposed to implement the modified cable equation. Several common neural stimulation scenarios are tested using two nonlinear membrane models to compare thresholds of the conventional and modified cable equations. The implementations of the modified cable equation incorporating transverse polarization are validated against previous results in the literature. The test cases show that transverse polarization has limited effect on activation thresholds. The transverse field only affects thresholds of unmyelinated axons for short pulses and in low-gradient field distributions, whereas myelinated axons are mostly unaffected. The modified cable equation captures the membrane's behavior on different time scales and models more accurately the coupling between electric fields and neurons. It addresses the limitations of the conventional cable equation and allows sound theoretical interpretations. The implementation provides simple methods that are compatible with current simulation approaches to study the effect of transverse polarization on nonlinear membranes. The minimal influence by transverse polarization on axonal activation thresholds for the nonlinear membrane models indicates that
Lee, Kuo Hao; Chen, Jianhan
2017-06-15
Accurate treatment of solvent environment is critical for reliable simulations of protein conformational equilibria. Implicit treatment of solvation, such as using the generalized Born (GB) class of models arguably provides an optimal balance between computational efficiency and physical accuracy. Yet, GB models are frequently plagued by a tendency to generate overly compact structures. The physical origins of this drawback are relatively well understood, and the key to a balanced implicit solvent protein force field is careful optimization of physical parameters to achieve a sufficient level of cancellation of errors. The latter has been hampered by the difficulty of generating converged conformational ensembles of non-trivial model proteins using the popular replica exchange sampling technique. Here, we leverage improved sampling efficiency of a newly developed multi-scale enhanced sampling technique to re-optimize the generalized-Born with molecular volume (GBMV2) implicit solvent model with the CHARMM36 protein force field. Recursive optimization of key GBMV2 parameters (such as input radii) and protein torsion profiles (via the CMAP torsion cross terms) has led to a more balanced GBMV2 protein force field that recapitulates the structures and stabilities of both helical and β-hairpin model peptides. Importantly, this force field appears to be free of the over-compaction bias, and can generate structural ensembles of several intrinsically disordered proteins of various lengths that seem highly consistent with available experimental data. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
Machine learning of accurate energy-conserving molecular force fields.
Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E; Poltavsky, Igor; Schütt, Kristof T; Müller, Klaus-Robert
2017-05-01
Using conservation of energy-a fundamental property of closed classical and quantum mechanical systems-we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio molecular dynamics (AIMD) trajectories. The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal mol -1 for energies and 1 kcal mol -1 Å̊ -1 for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative molecular dynamics simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods.
Machine learning of accurate energy-conserving molecular force fields
Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E.; Poltavsky, Igor; Schütt, Kristof T.; Müller, Klaus-Robert
2017-01-01
Using conservation of energy—a fundamental property of closed classical and quantum mechanical systems—we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio molecular dynamics (AIMD) trajectories. The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal mol−1 for energies and 1 kcal mol−1 Å̊−1 for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative molecular dynamics simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods. PMID:28508076
Accurate lithography simulation model based on convolutional neural networks
NASA Astrophysics Data System (ADS)
Watanabe, Yuki; Kimura, Taiki; Matsunawa, Tetsuaki; Nojima, Shigeki
2017-07-01
Lithography simulation is an essential technique for today's semiconductor manufacturing process. In order to calculate an entire chip in realistic time, compact resist model is commonly used. The model is established for faster calculation. To have accurate compact resist model, it is necessary to fix a complicated non-linear model function. However, it is difficult to decide an appropriate function manually because there are many options. This paper proposes a new compact resist model using CNN (Convolutional Neural Networks) which is one of deep learning techniques. CNN model makes it possible to determine an appropriate model function and achieve accurate simulation. Experimental results show CNN model can reduce CD prediction errors by 70% compared with the conventional model.
Accurate modeling and evaluation of microstructures in complex materials
NASA Astrophysics Data System (ADS)
Tahmasebi, Pejman
2018-02-01
Accurate characterization of heterogeneous materials is of great importance for different fields of science and engineering. Such a goal can be achieved through imaging. Acquiring three- or two-dimensional images under different conditions is not, however, always plausible. On the other hand, accurate characterization of complex and multiphase materials requires various digital images (I) under different conditions. An ensemble method is presented that can take one single (or a set of) I(s) and stochastically produce several similar models of the given disordered material. The method is based on a successive calculating of a conditional probability by which the initial stochastic models are produced. Then, a graph formulation is utilized for removing unrealistic structures. A distance transform function for the Is with highly connected microstructure and long-range features is considered which results in a new I that is more informative. Reproduction of the I is also considered through a histogram matching approach in an iterative framework. Such an iterative algorithm avoids reproduction of unrealistic structures. Furthermore, a multiscale approach, based on pyramid representation of the large Is, is presented that can produce materials with millions of pixels in a matter of seconds. Finally, the nonstationary systems—those for which the distribution of data varies spatially—are studied using two different methods. The method is tested on several complex and large examples of microstructures. The produced results are all in excellent agreement with the utilized Is and the similarities are quantified using various correlation functions.
Accurate calculation of field and carrier distributions in doped semiconductors
NASA Astrophysics Data System (ADS)
Yang, Wenji; Tang, Jianping; Yu, Hongchun; Wang, Yanguo
2012-06-01
We use the numerical squeezing algorithm(NSA) combined with the shooting method to accurately calculate the built-in fields and carrier distributions in doped silicon films (SFs) in the micron and sub-micron thickness range and results are presented in graphical form for variety of doping profiles under different boundary conditions. As a complementary approach, we also present the methods and the results of the inverse problem (IVP) - finding out the doping profile in the SFs for given field distribution. The solution of the IVP provides us the approach to arbitrarily design field distribution in SFs - which is very important for low dimensional (LD) systems and device designing. Further more, the solution of the IVP is both direct and much easy for all the one-, two-, and three-dimensional semiconductor systems. With current efforts focused on the LD physics, knowing of the field and carrier distribution details in the LD systems will facilitate further researches on other aspects and hence the current work provides a platform for those researches.
Low-dimensional, morphologically accurate models of subthreshold membrane potential
Kellems, Anthony R.; Roos, Derrick; Xiao, Nan; Cox, Steven J.
2009-01-01
The accurate simulation of a neuron’s ability to integrate distributed synaptic input typically requires the simultaneous solution of tens of thousands of ordinary differential equations. For, in order to understand how a cell distinguishes between input patterns we apparently need a model that is biophysically accurate down to the space scale of a single spine, i.e., 1 μm. We argue here that one can retain this highly detailed input structure while dramatically reducing the overall system dimension if one is content to accurately reproduce the associated membrane potential at a small number of places, e.g., at the site of action potential initiation, under subthreshold stimulation. The latter hypothesis permits us to approximate the active cell model with an associated quasi-active model, which in turn we reduce by both time-domain (Balanced Truncation) and frequency-domain (ℋ2 approximation of the transfer function) methods. We apply and contrast these methods on a suite of typical cells, achieving up to four orders of magnitude in dimension reduction and an associated speed-up in the simulation of dendritic democratization and resonance. We also append a threshold mechanism and indicate that this reduction has the potential to deliver an accurate quasi-integrate and fire model. PMID:19172386
Peddie, N.W.; Zunde, A.K.
1985-01-01
The new International Geomagnetic Reference Field (IGRF) model of the main geomagnetic field for 1980 is based heavily on measurements from the MAGSAT satellite survey. Assessment of the accuracy of the new model, as a description of the main field near the Earth's surface, is important because the accuracy of models derived from satellite data can be adversely affected by the magnetic field of electric currents in the ionosphere and the auroral zones. Until now, statements about its accuracy have been based on the 6 published assessments of the 2 proposed models from which it was derived. However, those assessments were either regional in scope or were based mainly on preliminary or extrapolated data. Here we assess the near-surface accuracy of the new model by comparing it with values for 1980 derived from annual means from 69 magnetic observatories, and by comparing it with WC80, a model derived from near-surface data. The comparison with observatory-derived data shows that the new model describes the field at the 69 observatories about as accurately as would a model derived solely from near-surface data. The comparison with WC80 shows that the 2 models agree closely in their description of D and I near the surface. These comparisons support the proposition that the new IGRF 1980 main-field model is a generally accurate description of the main field near the Earth's surface in 1980. ?? 1985.
Vector fields in a tight laser focus: comparison of models.
Peatross, Justin; Berrondo, Manuel; Smith, Dallas; Ware, Michael
2017-06-26
We assess several widely used vector models of a Gaussian laser beam in the context of more accurate vector diffraction integration. For the analysis, we present a streamlined derivation of the vector fields of a uniformly polarized beam reflected from an ideal parabolic mirror, both inside and outside of the resulting focus. This exact solution to Maxwell's equations, first developed in 1920 by V. S. Ignatovsky, is highly relevant to high-intensity laser experiments since the boundary conditions at a focusing optic dictate the form of the focus in a manner analogous to a physical experiment. In contrast, many models simply assume a field profile near the focus and develop the surrounding vector fields consistent with Maxwell's equations. In comparing the Ignatovsky result with popular closed-form analytic vector models of a Gaussian beam, we find that the relatively simple model developed by Erikson and Singh in 1994 provides good agreement in the paraxial limit. Models involving a Lax expansion introduce a divergences outside of the focus while providing little if any improvement in the focal region. Extremely tight focusing produces a somewhat complicated structure in the focus, and requires the Ignatovsky model for accurate representation.
Fast and accurate focusing analysis of large photon sieve using pinhole ring diffraction model.
Liu, Tao; Zhang, Xin; Wang, Lingjie; Wu, Yanxiong; Zhang, Jizhen; Qu, Hemeng
2015-06-10
In this paper, we developed a pinhole ring diffraction model for the focusing analysis of a large photon sieve. Instead of analyzing individual pinholes, we discuss the focusing of all of the pinholes in a single ring. An explicit equation for the diffracted field of individual pinhole ring has been proposed. We investigated the validity range of this generalized model and analytically describe the sufficient conditions for the validity of this pinhole ring diffraction model. A practical example and investigation reveals the high accuracy of the pinhole ring diffraction model. This simulation method could be used for fast and accurate focusing analysis of a large photon sieve.
How accurately do force fields represent protein side chain ensembles?
Petrović, Dušan; Wang, Xue; Strodel, Birgit
2018-05-23
Although the protein backbone is the most fundamental part of the structure, the fine-tuning of side-chain conformations is important for protein function, for example, in protein-protein and protein-ligand interactions, and also in enzyme catalysis. While several benchmarks testing the performance of protein force fields for side chain properties have already been published, they often considered only a few force fields and were not tested against the same experimental observables; hence, they are not directly comparable. In this work, we explore the ability of twelve force fields, which are different flavors of AMBER, CHARMM, OPLS, or GROMOS, to reproduce average rotamer angles and rotamer populations obtained from extensive NMR studies of the 3 J and residual dipolar coupling constants for two small proteins: ubiquitin and GB3. Based on a total of 196 μs sampling time, our results reveal that all force fields identify the correct side chain angles, while the AMBER and CHARMM force fields clearly outperform the OPLS and GROMOS force fields in estimating rotamer populations. The three best force fields for representing the protein side chain dynamics are AMBER 14SB, AMBER 99SB*-ILDN, and CHARMM36. Furthermore, we observe that the side chain ensembles of buried amino acid residues are generally more accurately represented than those of the surface exposed residues. This article is protected by copyright. All rights reserved. © 2018 Wiley Periodicals, Inc.
An Accurate and Dynamic Computer Graphics Muscle Model
NASA Technical Reports Server (NTRS)
Levine, David Asher
1997-01-01
A computer based musculo-skeletal model was developed at the University in the departments of Mechanical and Biomedical Engineering. This model accurately represents human shoulder kinematics. The result of this model is the graphical display of bones moving through an appropriate range of motion based on inputs of EMGs and external forces. The need existed to incorporate a geometric muscle model in the larger musculo-skeletal model. Previous muscle models did not accurately represent muscle geometries, nor did they account for the kinematics of tendons. This thesis covers the creation of a new muscle model for use in the above musculo-skeletal model. This muscle model was based on anatomical data from the Visible Human Project (VHP) cadaver study. Two-dimensional digital images from the VHP were analyzed and reconstructed to recreate the three-dimensional muscle geometries. The recreated geometries were smoothed, reduced, and sliced to form data files defining the surfaces of each muscle. The muscle modeling function opened these files during run-time and recreated the muscle surface. The modeling function applied constant volume limitations to the muscle and constant geometry limitations to the tendons.
Accurate computation of gravitational field of a tesseroid
NASA Astrophysics Data System (ADS)
Fukushima, Toshio
2018-02-01
We developed an accurate method to compute the gravitational field of a tesseroid. The method numerically integrates a surface integral representation of the gravitational potential of the tesseroid by conditionally splitting its line integration intervals and by using the double exponential quadrature rule. Then, it evaluates the gravitational acceleration vector and the gravity gradient tensor by numerically differentiating the numerically integrated potential. The numerical differentiation is conducted by appropriately switching the central and the single-sided second-order difference formulas with a suitable choice of the test argument displacement. If necessary, the new method is extended to the case of a general tesseroid with the variable density profile, the variable surface height functions, and/or the variable intervals in longitude or in latitude. The new method is capable of computing the gravitational field of the tesseroid independently on the location of the evaluation point, namely whether outside, near the surface of, on the surface of, or inside the tesseroid. The achievable precision is 14-15 digits for the potential, 9-11 digits for the acceleration vector, and 6-8 digits for the gradient tensor in the double precision environment. The correct digits are roughly doubled if employing the quadruple precision computation. The new method provides a reliable procedure to compute the topographic gravitational field, especially that near, on, and below the surface. Also, it could potentially serve as a sure reference to complement and elaborate the existing approaches using the Gauss-Legendre quadrature or other standard methods of numerical integration.
Error model of geomagnetic-field measurement and extended Kalman-filter based compensation method
Ge, Zhilei; Liu, Suyun; Li, Guopeng; Huang, Yan; Wang, Yanni
2017-01-01
The real-time accurate measurement of the geomagnetic-field is the foundation to achieving high-precision geomagnetic navigation. The existing geomagnetic-field measurement models are essentially simplified models that cannot accurately describe the sources of measurement error. This paper, on the basis of systematically analyzing the source of geomagnetic-field measurement error, built a complete measurement model, into which the previously unconsidered geomagnetic daily variation field was introduced. This paper proposed an extended Kalman-filter based compensation method, which allows a large amount of measurement data to be used in estimating parameters to obtain the optimal solution in the sense of statistics. The experiment results showed that the compensated strength of the geomagnetic field remained close to the real value and the measurement error was basically controlled within 5nT. In addition, this compensation method has strong applicability due to its easy data collection and ability to remove the dependence on a high-precision measurement instrument. PMID:28445508
Accurate interatomic force fields via machine learning with covariant kernels
NASA Astrophysics Data System (ADS)
Glielmo, Aldo; Sollich, Peter; De Vita, Alessandro
2017-06-01
We present a novel scheme to accurately predict atomic forces as vector quantities, rather than sets of scalar components, by Gaussian process (GP) regression. This is based on matrix-valued kernel functions, on which we impose the requirements that the predicted force rotates with the target configuration and is independent of any rotations applied to the configuration database entries. We show that such covariant GP kernels can be obtained by integration over the elements of the rotation group SO (d ) for the relevant dimensionality d . Remarkably, in specific cases the integration can be carried out analytically and yields a conservative force field that can be recast into a pair interaction form. Finally, we show that restricting the integration to a summation over the elements of a finite point group relevant to the target system is sufficient to recover an accurate GP. The accuracy of our kernels in predicting quantum-mechanical forces in real materials is investigated by tests on pure and defective Ni, Fe, and Si crystalline systems.
Accurate Modelling of Surface Currents and Internal Tides in a Semi-enclosed Coastal Sea
NASA Astrophysics Data System (ADS)
Allen, S. E.; Soontiens, N. K.; Dunn, M. B. H.; Liu, J.; Olson, E.; Halverson, M. J.; Pawlowicz, R.
2016-02-01
The Strait of Georgia is a deep (400 m), strongly stratified, semi-enclosed coastal sea on the west coast of North America. We have configured a baroclinic model of the Strait of Georgia and surrounding coastal waters using the NEMO ocean community model. We run daily nowcasts and forecasts and publish our sea-surface results (including storm surge warnings) to the web (salishsea.eos.ubc.ca/storm-surge). Tides in the Strait of Georgia are mixed and large. The baroclinic model and previous barotropic models accurately represent tidal sea-level variations and depth mean currents. The baroclinic model reproduces accurately the diurnal but not the semi-diurnal baroclinic tidal currents. In the Southern Strait of Georgia, strong internal tidal currents at the semi-diurnal frequency are observed. Strong semi-diurnal tides are also produced in the model, but are almost 180 degrees out of phase with the observations. In the model, in the surface, the barotropic and baroclinic tides reinforce, whereas the observations show that at the surface the baroclinic tides oppose the barotropic. As such the surface currents are very poorly modelled. Here we will present evidence of the internal tidal field from observations. We will discuss the generation regions of the tides, the necessary modifications to the model required to correct the phase, the resulting baroclinic tides and the improvements in the surface currents.
An accurate behavioral model for single-photon avalanche diode statistical performance simulation
NASA Astrophysics Data System (ADS)
Xu, Yue; Zhao, Tingchen; Li, Ding
2018-01-01
An accurate behavioral model is presented to simulate important statistical performance of single-photon avalanche diodes (SPADs), such as dark count and after-pulsing noise. The derived simulation model takes into account all important generation mechanisms of the two kinds of noise. For the first time, thermal agitation, trap-assisted tunneling and band-to-band tunneling mechanisms are simultaneously incorporated in the simulation model to evaluate dark count behavior of SPADs fabricated in deep sub-micron CMOS technology. Meanwhile, a complete carrier trapping and de-trapping process is considered in afterpulsing model and a simple analytical expression is derived to estimate after-pulsing probability. In particular, the key model parameters of avalanche triggering probability and electric field dependence of excess bias voltage are extracted from Geiger-mode TCAD simulation and this behavioral simulation model doesn't include any empirical parameters. The developed SPAD model is implemented in Verilog-A behavioral hardware description language and successfully operated on commercial Cadence Spectre simulator, showing good universality and compatibility. The model simulation results are in a good accordance with the test data, validating high simulation accuracy.
Accurate modelling of unsteady flows in collapsible tubes.
Marchandise, Emilie; Flaud, Patrice
2010-01-01
The context of this paper is the development of a general and efficient numerical haemodynamic tool to help clinicians and researchers in understanding of physiological flow phenomena. We propose an accurate one-dimensional Runge-Kutta discontinuous Galerkin (RK-DG) method coupled with lumped parameter models for the boundary conditions. The suggested model has already been successfully applied to haemodynamics in arteries and is now extended for the flow in collapsible tubes such as veins. The main difference with cardiovascular simulations is that the flow may become supercritical and elastic jumps may appear with the numerical consequence that scheme may not remain monotone if no limiting procedure is introduced. We show that our second-order RK-DG method equipped with an approximate Roe's Riemann solver and a slope-limiting procedure allows us to capture elastic jumps accurately. Moreover, this paper demonstrates that the complex physics associated with such flows is more accurately modelled than with traditional methods such as finite difference methods or finite volumes. We present various benchmark problems that show the flexibility and applicability of the numerical method. Our solutions are compared with analytical solutions when they are available and with solutions obtained using other numerical methods. Finally, to illustrate the clinical interest, we study the emptying process in a calf vein squeezed by contracting skeletal muscle in a normal and pathological subject. We compare our results with experimental simulations and discuss the sensitivity to parameters of our model.
Deriving a Core Magnetic Field Model from Swarm Satellite Data
NASA Astrophysics Data System (ADS)
Lesur, V.; Rother, M.; Wardinski, I.
2014-12-01
A model of the Earth's core magnetic field has been built using Swarm satellite mission data and observatory quasi-definitive data. The satellite data processing scheme, which was used to derive previous satellite field models (i.e. GRIMM series), has been modified to handle discrepancies between the satellite total intensity data derived from the vector fluxgate magnetometer and the absolute scalar instrument. Further, the Euler angles, i.e. the angles between the vector magnetometer and the satellite reference frame, have been recalculated on a series of 30-day windows to obtain an accurate model of the core field for 2014. Preliminary derivations of core magnetic field and SV models for 2014 present the same characteristics as during the CHAMP era. The acceleration (i.e. the field second time derivative) has shown a rapid evolution over the last few years, and is present in the current model, which confirms previous observations.
Validation of community models: 3. Tracing field lines in heliospheric models
NASA Astrophysics Data System (ADS)
MacNeice, Peter; Elliott, Brian; Acebal, Ariel
2011-10-01
Forecasting hazardous gradual solar energetic particle (SEP) bursts at Earth requires accurately modeling field line connections between Earth and the locations of coronal or interplanetary shocks that accelerate the particles. We test the accuracy of field lines reconstructed using four different models of the ambient coronal and inner heliospheric magnetic field, through which these shocks must propagate, including the coupled Wang-Sheeley-Arge (WSA)/ENLIL model. Evaluating the WSA/ENLIL model performance is important since it is the most sophisticated model currently available to space weather forecasters which can model interplanetary coronal mass ejections and, when coupled with particle acceleration and transport models, will provide a complete model for gradual SEP bursts. Previous studies using a simpler Archimedean spiral approach above 2.5 solar radii have reported poor performance. We test the accuracy of the model field lines connecting Earth to the Sun at the onset times of 15 impulsive SEP bursts, comparing the foot points of these field lines with the locations of surface events believed to be responsible for the SEP bursts. We find the WSA/ENLIL model performance is no better than the simplest spiral model, and the principal source of error is the model's inability to reproduce sufficient low-latitude open flux. This may be due to the model's use of static synoptic magnetograms, which fail to account for transient activity in the low corona, during which reconnection events believed to initiate the SEP acceleration may contribute short-lived open flux at low latitudes. Time-dependent coronal models incorporating these transient events may be needed to significantly improve Earth/Sun field line forecasting.
Alanazi, Hamdan O; Abdullah, Abdul Hanan; Qureshi, Kashif Naseer
2017-04-01
Recently, Artificial Intelligence (AI) has been used widely in medicine and health care sector. In machine learning, the classification or prediction is a major field of AI. Today, the study of existing predictive models based on machine learning methods is extremely active. Doctors need accurate predictions for the outcomes of their patients' diseases. In addition, for accurate predictions, timing is another significant factor that influences treatment decisions. In this paper, existing predictive models in medicine and health care have critically reviewed. Furthermore, the most famous machine learning methods have explained, and the confusion between a statistical approach and machine learning has clarified. A review of related literature reveals that the predictions of existing predictive models differ even when the same dataset is used. Therefore, existing predictive models are essential, and current methods must be improved.
An Accurate ab initio Quartic Force Field and Vibrational Frequencies for CH4 and Isotopomers
NASA Technical Reports Server (NTRS)
Lee, Timothy J.; Martin, Jan M. L.; Taylor, Peter R.
1995-01-01
A very accurate ab initio quartic force field for CH4 and its isotopomers is presented. The quartic force field was determined with the singles and doubles coupled-cluster procedure that includes a quasiperturbative estimate of the effects of connected triple excitations, CCSD(T), using the correlation consistent polarized valence triple zeta, cc-pVTZ, basis set. Improved quadratic force constants were evaluated with the correlation consistent polarized valence quadruple zeta, cc-pVQZ, basis set. Fundamental vibrational frequencies are determined using second-order perturbation theory anharmonic analyses. All fundamentals of CH4 and isotopomers for which accurate experimental values exist and for which there is not a large Fermi resonance, are predicted to within +/- 6 cm(exp -1). It is thus concluded that our predictions for the harmonic frequencies and the anharmonic constants are the most accurate estimates available. It is also shown that using cubic and quartic force constants determined with the correlation consistent polarized double zeta, cc-pVDZ, basis set in conjunction with the cc-pVQZ quadratic force constants and equilibrium geometry leads to accurate predictions for the fundamental vibrational frequencies of methane, suggesting that this approach may be a viable alternative for larger molecules. Using CCSD(T), core correlation is found to reduce the CH4 r(e), by 0.0015 A. Our best estimate for r, is 1.0862 +/- 0.0005 A.
Accurate Modeling Method for Cu Interconnect
NASA Astrophysics Data System (ADS)
Yamada, Kenta; Kitahara, Hiroshi; Asai, Yoshihiko; Sakamoto, Hideo; Okada, Norio; Yasuda, Makoto; Oda, Noriaki; Sakurai, Michio; Hiroi, Masayuki; Takewaki, Toshiyuki; Ohnishi, Sadayuki; Iguchi, Manabu; Minda, Hiroyasu; Suzuki, Mieko
This paper proposes an accurate modeling method of the copper interconnect cross-section in which the width and thickness dependence on layout patterns and density caused by processes (CMP, etching, sputtering, lithography, and so on) are fully, incorporated and universally expressed. In addition, we have developed specific test patterns for the model parameters extraction, and an efficient extraction flow. We have extracted the model parameters for 0.15μm CMOS using this method and confirmed that 10%τpd error normally observed with conventional LPE (Layout Parameters Extraction) was completely dissolved. Moreover, it is verified that the model can be applied to more advanced technologies (90nm, 65nm and 55nm CMOS). Since the interconnect delay variations due to the processes constitute a significant part of what have conventionally been treated as random variations, use of the proposed model could enable one to greatly narrow the guardbands required to guarantee a desired yield, thereby facilitating design closure.
Optimizing Global Coronal Magnetic Field Models Using Image-Based Constraints
NASA Technical Reports Server (NTRS)
Jones-Mecholsky, Shaela I.; Davila, Joseph M.; Uritskiy, Vadim
2016-01-01
The coronal magnetic field directly or indirectly affects a majority of the phenomena studied in the heliosphere. It provides energy for coronal heating, controls the release of coronal mass ejections, and drives heliospheric and magnetospheric activity, yet the coronal magnetic field itself has proven difficult to measure. This difficulty has prompted a decades-long effort to develop accurate, timely, models of the field, an effort that continues today. We have developed a method for improving global coronal magnetic field models by incorporating the type of morphological constraints that could be derived from coronal images. Here we report promising initial tests of this approach on two theoretical problems, and discuss opportunities for application.
Analytical model for out-of-field dose in photon craniospinal irradiation
NASA Astrophysics Data System (ADS)
Taddei, Phillip J.; Jalbout, Wassim; Howell, Rebecca M.; Khater, Nabil; Geara, Fady; Homann, Kenneth; Newhauser, Wayne D.
2013-11-01
The prediction of late effects after radiotherapy in organs outside a treatment field requires accurate estimations of out-of-field dose. However, out-of-field dose is not calculated accurately by commercial treatment planning systems (TPSs). The purpose of this study was to develop and test an analytical model for out-of-field dose during craniospinal irradiation (CSI) from photon beams produced by a linear accelerator. In two separate evaluations of the model, we measured absorbed dose for a 6 MV CSI using thermoluminescent dosimeters placed throughout an anthropomorphic phantom and fit the measured data to an analytical model of absorbed dose versus distance outside of the composite field edge. These measurements were performed in two separate clinics—the University of Texas MD Anderson Cancer Center (MD Anderson) and the American University of Beirut Medical Center (AUBMC)—using the same phantom but different linear accelerators and TPSs commissioned for patient treatments. The measurement at AUBMC also included in-field locations. Measured dose values were compared to those predicted by TPSs and parameters were fit to the model in each setting. In each clinic, 95% of the measured data were contained within a factor of 0.2 and one root mean square deviation of the model-based values. The root mean square deviations of the mathematical model were 0.91 cGy Gy-1 and 1.67 cGy Gy-1 in the MD Anderson and AUBMC clinics, respectively. The TPS predictions agreed poorly with measurements in regions of sharp dose gradient, e.g., near the field edge. At distances greater than 1 cm from the field edge, the TPS underestimated the dose by an average of 14% ± 24% and 44% ± 19% in the MD Anderson and AUBMC clinics, respectively. The in-field measured dose values of the measurement at AUBMC matched the dose values calculated by the TPS to within 2%. Dose algorithms in TPSs systematically underestimated the actual out-of-field dose. Therefore, it is important to use an
Measurement and prediction of model-rotor flow fields
NASA Technical Reports Server (NTRS)
Owen, F. K.; Tauber, M. E.
1985-01-01
This paper shows that a laser velocimeter can be used to measure accurately the three-component velocities induced by a model rotor at transonic tip speeds. The measurements, which were made at Mach numbers from 0.85 to 0.95 and at zero advance ratio, yielded high-resolution, orthogonal velocity values. The measured velocities were used to check the ability of the ROT22 full-potential rotor code to predict accurately the transonic flow field in the crucial region around and beyond the tip of a high-speed rotor blade. The good agreement between the calculated and measured velocities established the code's ability to predict the off-blade flow field at transonic tip speeds. This supplements previous comparisons in which surface pressures were shown to be well predicted on two different tips at advance ratios to 0.45, especially at the critical 90 deg azimuthal blade position. These results demonstrate that the ROT22 code can be used with confidence to predict the important tip-region flow field, including the occurrence, strength, and location of shock waves causing high drag and noise.
Enabling full-field physics-based optical proximity correction via dynamic model generation
NASA Astrophysics Data System (ADS)
Lam, Michael; Clifford, Chris; Raghunathan, Ananthan; Fenger, Germain; Adam, Kostas
2017-07-01
As extreme ultraviolet lithography becomes closer to reality for high volume production, its peculiar modeling challenges related to both inter and intrafield effects have necessitated building an optical proximity correction (OPC) infrastructure that operates with field position dependency. Previous state-of-the-art approaches to modeling field dependency used piecewise constant models where static input models are assigned to specific x/y-positions within the field. OPC and simulation could assign the proper static model based on simulation-level placement. However, in the realm of 7 and 5 nm feature sizes, small discontinuities in OPC from piecewise constant model changes can cause unacceptable levels of edge placement errors. The introduction of dynamic model generation (DMG) can be shown to effectively avoid these dislocations by providing unique mask and optical models per simulation region, allowing a near continuum of models through the field. DMG allows unique models for electromagnetic field, apodization, aberrations, etc. to vary through the entire field and provides a capability to precisely and accurately model systematic field signatures.
3ARM: A Fast, Accurate Radiative Transfer Model for Use in Climate Models
NASA Technical Reports Server (NTRS)
Bergstrom, R. W.; Kinne, S.; Sokolik, I. N.; Toon, O. B.; Mlawer, E. J.; Clough, S. A.; Ackerman, T. P.; Mather, J.
1996-01-01
A new radiative transfer model combining the efforts of three groups of researchers is discussed. The model accurately computes radiative transfer in a inhomogeneous absorbing, scattering and emitting atmospheres. As an illustration of the model, results are shown for the effects of dust on the thermal radiation.
3ARM: A Fast, Accurate Radiative Transfer Model for use in Climate Models
NASA Technical Reports Server (NTRS)
Bergstrom, R. W.; Kinne, S.; Sokolik, I. N.; Toon, O. B.; Mlawer, E. J.; Clough, S. A.; Ackerman, T. P.; Mather, J.
1996-01-01
A new radiative transfer model combining the efforts of three groups of researchers is discussed. The model accurately computes radiative transfer in a inhomogeneous absorbing, scattering and emitting atmospheres. As an illustration of the model, results are shown for the effects of dust on the thermal radiation.
3ARM: A Fast, Accurate Radiative Transfer Model For Use in Climate Models
NASA Technical Reports Server (NTRS)
Bergstrom, R. W.; Kinne, S.; Sokolik, I. N.; Toon, O. B.; Mlawer, E. J.; Clough, S. A.; Ackerman, T. P.; Mather, J.
1996-01-01
A new radiative transfer model combining the efforts of three groups of researchers is discussed. The model accurately computes radiative transfer in a inhomogeneous absorbing, scattering and emitting atmospheres. As an illustration of the model, results are shown for the effects of dust on the thermal radiation.
Accurate segmentation of lung fields on chest radiographs using deep convolutional networks
NASA Astrophysics Data System (ADS)
Arbabshirani, Mohammad R.; Dallal, Ahmed H.; Agarwal, Chirag; Patel, Aalpan; Moore, Gregory
2017-02-01
Accurate segmentation of lung fields on chest radiographs is the primary step for computer-aided detection of various conditions such as lung cancer and tuberculosis. The size, shape and texture of lung fields are key parameters for chest X-ray (CXR) based lung disease diagnosis in which the lung field segmentation is a significant primary step. Although many methods have been proposed for this problem, lung field segmentation remains as a challenge. In recent years, deep learning has shown state of the art performance in many visual tasks such as object detection, image classification and semantic image segmentation. In this study, we propose a deep convolutional neural network (CNN) framework for segmentation of lung fields. The algorithm was developed and tested on 167 clinical posterior-anterior (PA) CXR images collected retrospectively from picture archiving and communication system (PACS) of Geisinger Health System. The proposed multi-scale network is composed of five convolutional and two fully connected layers. The framework achieved IOU (intersection over union) of 0.96 on the testing dataset as compared to manual segmentation. The suggested framework outperforms state of the art registration-based segmentation by a significant margin. To our knowledge, this is the first deep learning based study of lung field segmentation on CXR images developed on a heterogeneous clinical dataset. The results suggest that convolutional neural networks could be employed reliably for lung field segmentation.
Can phenological models predict tree phenology accurately under climate change conditions?
NASA Astrophysics Data System (ADS)
Chuine, Isabelle; Bonhomme, Marc; Legave, Jean Michel; García de Cortázar-Atauri, Inaki; Charrier, Guillaume; Lacointe, André; Améglio, Thierry
2014-05-01
The onset of the growing season of trees has been globally earlier by 2.3 days/decade during the last 50 years because of global warming and this trend is predicted to continue according to climate forecast. The effect of temperature on plant phenology is however not linear because temperature has a dual effect on bud development. On one hand, low temperatures are necessary to break bud dormancy, and on the other hand higher temperatures are necessary to promote bud cells growth afterwards. Increasing phenological changes in temperate woody species have strong impacts on forest trees distribution and productivity, as well as crops cultivation areas. Accurate predictions of trees phenology are therefore a prerequisite to understand and foresee the impacts of climate change on forests and agrosystems. Different process-based models have been developed in the last two decades to predict the date of budburst or flowering of woody species. They are two main families: (1) one-phase models which consider only the ecodormancy phase and make the assumption that endodormancy is always broken before adequate climatic conditions for cell growth occur; and (2) two-phase models which consider both the endodormancy and ecodormancy phases and predict a date of dormancy break which varies from year to year. So far, one-phase models have been able to predict accurately tree bud break and flowering under historical climate. However, because they do not consider what happens prior to ecodormancy, and especially the possible negative effect of winter temperature warming on dormancy break, it seems unlikely that they can provide accurate predictions in future climate conditions. It is indeed well known that a lack of low temperature results in abnormal pattern of bud break and development in temperate fruit trees. An accurate modelling of the dormancy break date has thus become a major issue in phenology modelling. Two-phases phenological models predict that global warming should delay
An Accurate Temperature Correction Model for Thermocouple Hygrometers 1
Savage, Michael J.; Cass, Alfred; de Jager, James M.
1982-01-01
Numerous water relation studies have used thermocouple hygrometers routinely. However, the accurate temperature correction of hygrometer calibration curve slopes seems to have been largely neglected in both psychrometric and dewpoint techniques. In the case of thermocouple psychrometers, two temperature correction models are proposed, each based on measurement of the thermojunction radius and calculation of the theoretical voltage sensitivity to changes in water potential. The first model relies on calibration at a single temperature and the second at two temperatures. Both these models were more accurate than the temperature correction models currently in use for four psychrometers calibrated over a range of temperatures (15-38°C). The model based on calibration at two temperatures is superior to that based on only one calibration. The model proposed for dewpoint hygrometers is similar to that for psychrometers. It is based on the theoretical voltage sensitivity to changes in water potential. Comparison with empirical data from three dewpoint hygrometers calibrated at four different temperatures indicates that these instruments need only be calibrated at, e.g. 25°C, if the calibration slopes are corrected for temperature. PMID:16662241
OPTIMIZING GLOBAL CORONAL MAGNETIC FIELD MODELS USING IMAGE-BASED CONSTRAINTS
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jones, Shaela I.; Davila, Joseph M.; Uritsky, Vadim, E-mail: shaela.i.jonesmecholsky@nasa.gov
The coronal magnetic field directly or indirectly affects a majority of the phenomena studied in the heliosphere. It provides energy for coronal heating, controls the release of coronal mass ejections, and drives heliospheric and magnetospheric activity, yet the coronal magnetic field itself has proven difficult to measure. This difficulty has prompted a decades-long effort to develop accurate, timely, models of the field—an effort that continues today. We have developed a method for improving global coronal magnetic field models by incorporating the type of morphological constraints that could be derived from coronal images. Here we report promising initial tests of thismore » approach on two theoretical problems, and discuss opportunities for application.« less
Product component genealogy modeling and field-failure prediction
DOE Office of Scientific and Technical Information (OSTI.GOV)
King, Caleb; Hong, Yili; Meeker, William Q.
Many industrial products consist of multiple components that are necessary for system operation. There is an abundance of literature on modeling the lifetime of such components through competing risks models. During the life-cycle of a product, it is common for there to be incremental design changes to improve reliability, to reduce costs, or due to changes in availability of certain part numbers. These changes can affect product reliability but are often ignored in system lifetime modeling. By incorporating this information about changes in part numbers over time (information that is readily available in most production databases), better accuracy can bemore » achieved in predicting time to failure, thus yielding more accurate field-failure predictions. This paper presents methods for estimating parameters and predictions for this generational model and a comparison with existing methods through the use of simulation. Our results indicate that the generational model has important practical advantages and outperforms the existing methods in predicting field failures.« less
Product component genealogy modeling and field-failure prediction
King, Caleb; Hong, Yili; Meeker, William Q.
2016-04-13
Many industrial products consist of multiple components that are necessary for system operation. There is an abundance of literature on modeling the lifetime of such components through competing risks models. During the life-cycle of a product, it is common for there to be incremental design changes to improve reliability, to reduce costs, or due to changes in availability of certain part numbers. These changes can affect product reliability but are often ignored in system lifetime modeling. By incorporating this information about changes in part numbers over time (information that is readily available in most production databases), better accuracy can bemore » achieved in predicting time to failure, thus yielding more accurate field-failure predictions. This paper presents methods for estimating parameters and predictions for this generational model and a comparison with existing methods through the use of simulation. Our results indicate that the generational model has important practical advantages and outperforms the existing methods in predicting field failures.« less
An accurate model for predicting high frequency noise of nanoscale NMOS SOI transistors
NASA Astrophysics Data System (ADS)
Shen, Yanfei; Cui, Jie; Mohammadi, Saeed
2017-05-01
A nonlinear and scalable model suitable for predicting high frequency noise of N-type Metal Oxide Semiconductor (NMOS) transistors is presented. The model is developed for a commercial 45 nm CMOS SOI technology and its accuracy is validated through comparison with measured performance of a microwave low noise amplifier. The model employs the virtual source nonlinear core and adds parasitic elements to accurately simulate the RF behavior of multi-finger NMOS transistors up to 40 GHz. For the first time, the traditional long-channel thermal noise model is supplemented with an injection noise model to accurately represent the noise behavior of these short-channel transistors up to 26 GHz. The developed model is simple and easy to extract, yet very accurate.
Modeling field-scale cosolvent flooding for DNAPL source zone remediation
NASA Astrophysics Data System (ADS)
Liang, Hailian; Falta, Ronald W.
2008-02-01
A three-dimensional, compositional, multiphase flow simulator was used to model a field-scale test of DNAPL removal by cosolvent flooding. The DNAPL at this site was tetrachloroethylene (PCE), and the flooding solution was an ethanol/water mixture, with up to 95% ethanol. The numerical model, UTCHEM accounts for the equilibrium phase behavior and multiphase flow of a ternary ethanol-PCE-water system. Simulations of enhanced cosolvent flooding using a kinetic interphase mass transfer approach show that when a very high concentration of alcohol is injected, the DNAPL/water/alcohol mixture forms a single phase and local mass transfer limitations become irrelevant. The field simulations were carried out in three steps. At the first level, a simple uncalibrated layered model is developed. This model is capable of roughly reproducing the production well concentrations of alcohol, but not of PCE. A more refined (but uncalibrated) permeability model is able to accurately simulate the breakthrough concentrations of injected alcohol from the production wells, but is unable to accurately predict the PCE removal. The final model uses a calibration of the initial PCE distribution to get good matches with the PCE effluent curves from the extraction wells. It is evident that the effectiveness of DNAPL source zone remediation is mainly affected by characteristics of the spatial heterogeneity of porous media and the variable (and unknown) DNAPL distribution. The inherent uncertainty in the DNAPL distribution at real field sites means that some form of calibration of the initial contaminant distribution will almost always be required to match contaminant effluent breakthrough curves.
Modeling field-scale cosolvent flooding for DNAPL source zone remediation.
Liang, Hailian; Falta, Ronald W
2008-02-19
A three-dimensional, compositional, multiphase flow simulator was used to model a field-scale test of DNAPL removal by cosolvent flooding. The DNAPL at this site was tetrachloroethylene (PCE), and the flooding solution was an ethanol/water mixture, with up to 95% ethanol. The numerical model, UTCHEM accounts for the equilibrium phase behavior and multiphase flow of a ternary ethanol-PCE-water system. Simulations of enhanced cosolvent flooding using a kinetic interphase mass transfer approach show that when a very high concentration of alcohol is injected, the DNAPL/water/alcohol mixture forms a single phase and local mass transfer limitations become irrelevant. The field simulations were carried out in three steps. At the first level, a simple uncalibrated layered model is developed. This model is capable of roughly reproducing the production well concentrations of alcohol, but not of PCE. A more refined (but uncalibrated) permeability model is able to accurately simulate the breakthrough concentrations of injected alcohol from the production wells, but is unable to accurately predict the PCE removal. The final model uses a calibration of the initial PCE distribution to get good matches with the PCE effluent curves from the extraction wells. It is evident that the effectiveness of DNAPL source zone remediation is mainly affected by characteristics of the spatial heterogeneity of porous media and the variable (and unknown) DNAPL distribution. The inherent uncertainty in the DNAPL distribution at real field sites means that some form of calibration of the initial contaminant distribution will almost always be required to match contaminant effluent breakthrough curves.
Zhu, Wuming; Trickey, S B
2017-12-28
In high magnetic field calculations, anisotropic Gaussian type orbital (AGTO) basis functions are capable of reconciling the competing demands of the spherically symmetric Coulombic interaction and cylindrical magnetic (B field) confinement. However, the best available a priori procedure for composing highly accurate AGTO sets for atoms in a strong B field [W. Zhu et al., Phys. Rev. A 90, 022504 (2014)] yields very large basis sets. Their size is problematical for use in any calculation with unfavorable computational cost scaling. Here we provide an alternative constructive procedure. It is based upon analysis of the underlying physics of atoms in B fields that allow identification of several principles for the construction of AGTO basis sets. Aided by numerical optimization and parameter fitting, followed by fine tuning of fitting parameters, we devise formulae for generating accurate AGTO basis sets in an arbitrary B field. For the hydrogen iso-electronic sequence, a set depends on B field strength, nuclear charge, and orbital quantum numbers. For multi-electron systems, the basis set formulae also include adjustment to account for orbital occupations. Tests of the new basis sets for atoms H through C (1 ≤ Z ≤ 6) and ions Li + , Be + , and B + , in a wide B field range (0 ≤ B ≤ 2000 a.u.), show an accuracy better than a few μhartree for single-electron systems and a few hundredths to a few mHs for multi-electron atoms. The relative errors are similar for different atoms and ions in a large B field range, from a few to a couple of tens of millionths, thereby confirming rather uniform accuracy across the nuclear charge Z and B field strength values. Residual basis set errors are two to three orders of magnitude smaller than the electronic correlation energies in multi-electron atoms, a signal of the usefulness of the new AGTO basis sets in correlated wavefunction or density functional calculations for atomic and molecular systems in an external strong B
NASA Astrophysics Data System (ADS)
Zhu, Wuming; Trickey, S. B.
2017-12-01
In high magnetic field calculations, anisotropic Gaussian type orbital (AGTO) basis functions are capable of reconciling the competing demands of the spherically symmetric Coulombic interaction and cylindrical magnetic (B field) confinement. However, the best available a priori procedure for composing highly accurate AGTO sets for atoms in a strong B field [W. Zhu et al., Phys. Rev. A 90, 022504 (2014)] yields very large basis sets. Their size is problematical for use in any calculation with unfavorable computational cost scaling. Here we provide an alternative constructive procedure. It is based upon analysis of the underlying physics of atoms in B fields that allow identification of several principles for the construction of AGTO basis sets. Aided by numerical optimization and parameter fitting, followed by fine tuning of fitting parameters, we devise formulae for generating accurate AGTO basis sets in an arbitrary B field. For the hydrogen iso-electronic sequence, a set depends on B field strength, nuclear charge, and orbital quantum numbers. For multi-electron systems, the basis set formulae also include adjustment to account for orbital occupations. Tests of the new basis sets for atoms H through C (1 ≤ Z ≤ 6) and ions Li+, Be+, and B+, in a wide B field range (0 ≤ B ≤ 2000 a.u.), show an accuracy better than a few μhartree for single-electron systems and a few hundredths to a few mHs for multi-electron atoms. The relative errors are similar for different atoms and ions in a large B field range, from a few to a couple of tens of millionths, thereby confirming rather uniform accuracy across the nuclear charge Z and B field strength values. Residual basis set errors are two to three orders of magnitude smaller than the electronic correlation energies in multi-electron atoms, a signal of the usefulness of the new AGTO basis sets in correlated wavefunction or density functional calculations for atomic and molecular systems in an external strong B field.
A two-field modified Lagrangian formulation for robust simulations of extrinsic cohesive zone models
NASA Astrophysics Data System (ADS)
Cazes, F.; Coret, M.; Combescure, A.
2013-06-01
This paper presents the robust implementation of a cohesive zone model based on extrinsic cohesive laws (i.e. laws involving an infinite initial stiffness). To this end, a two-field Lagrangian weak formulation in which cohesive tractions are chosen as the field variables along the crack's path is presented. Unfortunately, this formulation cannot model the infinite compliance of the broken elements accurately, and no simple criterion can be defined to determine the loading-unloading change of state at the integration points of the cohesive elements. Therefore, a modified Lagrangian formulation using a fictitious cohesive traction instead of the classical cohesive traction as the field variable is proposed. Thanks to this change of variable, the cohesive law becomes an increasing function of the equivalent displacement jump, which eliminates the problems mentioned previously. The ability of the proposed formulations to simulate fracture accurately and without field oscillations is investigated through three numerical test examples.
Xue, Yi; Skrynnikov, Nikolai R
2014-01-01
Currently, the best existing molecular dynamics (MD) force fields cannot accurately reproduce the global free-energy minimum which realizes the experimental protein structure. As a result, long MD trajectories tend to drift away from the starting coordinates (e.g., crystallographic structures). To address this problem, we have devised a new simulation strategy aimed at protein crystals. An MD simulation of protein crystal is essentially an ensemble simulation involving multiple protein molecules in a crystal unit cell (or a block of unit cells). To ensure that average protein coordinates remain correct during the simulation, we introduced crystallography-based restraints into the MD protocol. Because these restraints are aimed at the ensemble-average structure, they have only minimal impact on conformational dynamics of the individual protein molecules. So long as the average structure remains reasonable, the proteins move in a native-like fashion as dictated by the original force field. To validate this approach, we have used the data from solid-state NMR spectroscopy, which is the orthogonal experimental technique uniquely sensitive to protein local dynamics. The new method has been tested on the well-established model protein, ubiquitin. The ensemble-restrained MD simulations produced lower crystallographic R factors than conventional simulations; they also led to more accurate predictions for crystallographic temperature factors, solid-state chemical shifts, and backbone order parameters. The predictions for 15N R1 relaxation rates are at least as accurate as those obtained from conventional simulations. Taken together, these results suggest that the presented trajectories may be among the most realistic protein MD simulations ever reported. In this context, the ensemble restraints based on high-resolution crystallographic data can be viewed as protein-specific empirical corrections to the standard force fields. PMID:24452989
A model for characterizing residential ground current and magnetic field fluctuations.
Mader, D L; Peralta, S B; Sherar, M D
1994-01-01
The current through the residential grounding circuit is an important source for magnetic fields; field variations near the grounding circuit accurately track fluctuations in this ground current. In this paper, a model is presented which permits calculation of the range of these fluctuations. A discrete network model is used to simulate a local distribution system for a single street, and a statistical model to simulate unbalanced currents in the system. Simulations of three-house and ten-house networks show that random appliance operation leads to ground current fluctuations which can be quite large, on the order of 600%. This is consistent with measured fluctuations in an actual house.
NASA Astrophysics Data System (ADS)
Roy Choudhury, Raja; Roy Choudhury, Arundhati; Kanti Ghose, Mrinal
2013-01-01
A semi-analytical model with three optimizing parameters and a novel non-Gaussian function as the fundamental modal field solution has been proposed to arrive at an accurate solution to predict various propagation parameters of graded-index fibers with less computational burden than numerical methods. In our semi analytical formulation the optimization of core parameter U which is usually uncertain, noisy or even discontinuous, is being calculated by Nelder-Mead method of nonlinear unconstrained minimizations as it is an efficient and compact direct search method and does not need any derivative information. Three optimizing parameters are included in the formulation of fundamental modal field of an optical fiber to make it more flexible and accurate than other available approximations. Employing variational technique, Petermann I and II spot sizes have been evaluated for triangular and trapezoidal-index fibers with the proposed fundamental modal field. It has been demonstrated that, the results of the proposed solution identically match with the numerical results over a wide range of normalized frequencies. This approximation can also be used in the study of doped and nonlinear fiber amplifier.
Accurate Modeling of Ionospheric Electromagnetic Fields Generated by a Low-Altitude VLF Transmitter
2007-08-31
latitude) for 3 different grid spacings. 14 8. Low-altitude fields produced by a 10-kHz source computed using the FD and TD codes. The agreement is...excellent, validating the new FD code. 16 9. High-altitude fields produced by a 10-kHz source computed using the FD and TD codes. The agreement is...again excellent. 17 10. Low-altitude fields produced by a 20-k.Hz source computed using the FD and TD codes. 17 11. High-altitude fields produced
Fast and Accurate Circuit Design Automation through Hierarchical Model Switching.
Huynh, Linh; Tagkopoulos, Ilias
2015-08-21
In computer-aided biological design, the trifecta of characterized part libraries, accurate models and optimal design parameters is crucial for producing reliable designs. As the number of parts and model complexity increase, however, it becomes exponentially more difficult for any optimization method to search the solution space, hence creating a trade-off that hampers efficient design. To address this issue, we present a hierarchical computer-aided design architecture that uses a two-step approach for biological design. First, a simple model of low computational complexity is used to predict circuit behavior and assess candidate circuit branches through branch-and-bound methods. Then, a complex, nonlinear circuit model is used for a fine-grained search of the reduced solution space, thus achieving more accurate results. Evaluation with a benchmark of 11 circuits and a library of 102 experimental designs with known characterization parameters demonstrates a speed-up of 3 orders of magnitude when compared to other design methods that provide optimality guarantees.
A Simple and Accurate Rate-Driven Infiltration Model
NASA Astrophysics Data System (ADS)
Cui, G.; Zhu, J.
2017-12-01
In this study, we develop a novel Rate-Driven Infiltration Model (RDIMOD) for simulating infiltration into soils. Unlike traditional methods, RDIMOD avoids numerically solving the highly non-linear Richards equation or simply modeling with empirical parameters. RDIMOD employs infiltration rate as model input to simulate one-dimensional infiltration process by solving an ordinary differential equation. The model can simulate the evolutions of wetting front, infiltration rate, and cumulative infiltration on any surface slope including vertical and horizontal directions. Comparing to the results from the Richards equation for both vertical infiltration and horizontal infiltration, RDIMOD simply and accurately predicts infiltration processes for any type of soils and soil hydraulic models without numerical difficulty. Taking into account the accuracy, capability, and computational effectiveness and stability, RDIMOD can be used in large-scale hydrologic and land-atmosphere modeling.
Accurate electromagnetic modeling of terahertz detectors
NASA Technical Reports Server (NTRS)
Focardi, Paolo; McGrath, William R.
2004-01-01
Twin slot antennas coupled to superconducting devices have been developed over the years as single pixel detectors in the terahertz (THz) frequency range for space-based and astronomy applications. Used either for mixing or direct detection, they have been object of several investigations, and are currently being developed for several missions funded or co-funded by NASA. Although they have shown promising performance in terms of noise and sensitivity, so far they have usually also shown a considerable disagreement in terms of performance between calculations and measurements, especially when considering center frequency and bandwidth. In this paper we present a thorough and accurate electromagnetic model of complete detector and we compare the results of calculations with measurements. Starting from a model of the embedding circuit, the effect of all the other elements in the detector in the coupled power have been analyzed. An extensive variety of measured and calculated data, as presented in this paper, demonstrates the effectiveness and reliability of the electromagnetic model at frequencies between 600 GHz and 2.5THz.
NASA Astrophysics Data System (ADS)
Schachtschneider, R.; Rother, M.; Lesur, V.
2013-12-01
We introduce a method that enables us to account for existing correlations between Gauss coefficients in core field modelling. The information about the correlations are obtained from a highly accurate field model based on CHAMP data, e.g. the GRIMM-3 model. We compute the covariance matrices of the geomagnetic field, the secular variation, and acceleration up to degree 18 and use these in the regularization scheme of the core field inversion. For testing our method we followed two different approaches by applying it to two different synthetic satellite data sets. The first is a short data set with a time span of only three months. Here we test how the information about correlations help to obtain an accurate model when only very little information are available. The second data set is a large one covering several years. In this case, besides reducing the residuals in general, we focus on the improvement of the model near the boundaries of the data set where the accerelation is generally more difficult to handle. In both cases the obtained covariance matrices are included in the damping scheme of the regularization. That way information from scales that could otherwise not be resolved by the data can be extracted. We show that by using this technique we are able to improve the models of the field and the secular variation for both, the short and the long term data set, compared to approaches using more conventional regularization techniques.
NASA Astrophysics Data System (ADS)
Mead, A. J.; Peacock, J. A.; Heymans, C.; Joudaki, S.; Heavens, A. F.
2015-12-01
We present an optimized variant of the halo model, designed to produce accurate matter power spectra well into the non-linear regime for a wide range of cosmological models. To do this, we introduce physically motivated free parameters into the halo-model formalism and fit these to data from high-resolution N-body simulations. For a variety of Λ cold dark matter (ΛCDM) and wCDM models, the halo-model power is accurate to ≃ 5 per cent for k ≤ 10h Mpc-1 and z ≤ 2. An advantage of our new halo model is that it can be adapted to account for the effects of baryonic feedback on the power spectrum. We demonstrate this by fitting the halo model to power spectra from the OWLS (OverWhelmingly Large Simulations) hydrodynamical simulation suite via parameters that govern halo internal structure. We are able to fit all feedback models investigated at the 5 per cent level using only two free parameters, and we place limits on the range of these halo parameters for feedback models investigated by the OWLS simulations. Accurate predictions to high k are vital for weak-lensing surveys, and these halo parameters could be considered nuisance parameters to marginalize over in future analyses to mitigate uncertainty regarding the details of feedback. Finally, we investigate how lensing observables predicted by our model compare to those from simulations and from HALOFIT for a range of k-cuts and feedback models and quantify the angular scales at which these effects become important. Code to calculate power spectra from the model presented in this paper can be found at https://github.com/alexander-mead/hmcode.
Helicopter flight dynamics simulation with a time-accurate free-vortex wake model
NASA Astrophysics Data System (ADS)
Ribera, Maria
This dissertation describes the implementation and validation of a coupled rotor-fuselage simulation model with a time-accurate free-vortex wake model capable of capturing the response to maneuvers of arbitrary amplitude. The resulting model has been used to analyze different flight conditions, including both steady and transient maneuvers. The flight dynamics model is based on a system of coupled nonlinear rotor-fuselage differential equations in first-order, state-space form. The rotor model includes flexible blades, with coupled flap-lag-torsion dynamics and swept tips; the rigid body dynamics are modeled with the non-linear Euler equations. The free wake models the rotor flow field by tracking the vortices released at the blade tips. Their behavior is described by the equations of vorticity transport, which is approximated using finite differences, and solved using a time-accurate numerical scheme. The flight dynamics model can be solved as a system of non-linear algebraic trim equations to determine the steady state solution, or integrated in time in response to pilot-applied controls. This study also implements new approaches to reduce the prohibitive computational costs associated with such complex models without losing accuracy. The mathematical model was validated for trim conditions in level flight, turns, climbs and descents. The results obtained correlate well with flight test data, both in level flight as well as turning and climbing and descending flight. The swept tip model was also found to improve the trim predictions, particularly at high speed. The behavior of the rigid body and the rotor blade dynamics were also studied and related to the aerodynamic load distributions obtained with the free wake induced velocities. The model was also validated in a lateral maneuver from hover. The results show improvements in the on-axis prediction, and indicate a possible relation between the off-axis prediction and the lack of rotor-body interaction
Allele-sharing models: LOD scores and accurate linkage tests.
Kong, A; Cox, N J
1997-11-01
Starting with a test statistic for linkage analysis based on allele sharing, we propose an associated one-parameter model. Under general missing-data patterns, this model allows exact calculation of likelihood ratios and LOD scores and has been implemented by a simple modification of existing software. Most important, accurate linkage tests can be performed. Using an example, we show that some previously suggested approaches to handling less than perfectly informative data can be unacceptably conservative. Situations in which this model may not perform well are discussed, and an alternative model that requires additional computations is suggested.
Allele-sharing models: LOD scores and accurate linkage tests.
Kong, A; Cox, N J
1997-01-01
Starting with a test statistic for linkage analysis based on allele sharing, we propose an associated one-parameter model. Under general missing-data patterns, this model allows exact calculation of likelihood ratios and LOD scores and has been implemented by a simple modification of existing software. Most important, accurate linkage tests can be performed. Using an example, we show that some previously suggested approaches to handling less than perfectly informative data can be unacceptably conservative. Situations in which this model may not perform well are discussed, and an alternative model that requires additional computations is suggested. PMID:9345087
Fast and accurate calculation of dilute quantum gas using Uehling–Uhlenbeck model equation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yano, Ryosuke, E-mail: ryosuke.yano@tokiorisk.co.jp
The Uehling–Uhlenbeck (U–U) model equation is studied for the fast and accurate calculation of a dilute quantum gas. In particular, the direct simulation Monte Carlo (DSMC) method is used to solve the U–U model equation. DSMC analysis based on the U–U model equation is expected to enable the thermalization to be accurately obtained using a small number of sample particles and the dilute quantum gas dynamics to be calculated in a practical time. Finally, the applicability of DSMC analysis based on the U–U model equation to the fast and accurate calculation of a dilute quantum gas is confirmed by calculatingmore » the viscosity coefficient of a Bose gas on the basis of the Green–Kubo expression and the shock layer of a dilute Bose gas around a cylinder.« less
Paraboloid magnetospheric magnetic field model and the status of the model as an ISO standard
NASA Astrophysics Data System (ADS)
Alexeev, I.
A reliable representation of the magnetic field is crucial in the framework of radiation belt modelling especially for disturbed conditions The empirical model developed by Tsyganenko T96 is constructed by minimizing the rms deviation from the large magnetospheric data base The applicability of the T96 model is limited mainly by quiet conditions in the solar wind along the Earth orbit But contrary to the internal planet s field the external magnetospheric magnetic field sources are much more time-dependent A reliable representation of the magnetic field is crucial in the framework of radiation belt modelling especially for disturbed conditions It is a reason why the method of the paraboloid magnetospheric model construction based on the more accurate and physically consistent approach in which each source of the magnetic field would have its own relaxation timescale and a driving function based on an individual best fit combination of the solar wind and IMF parameters Such approach is based on a priori information about the global magnetospheric current systems structure Each current system is included as a separate block module in the magnetospheric model As it was shown by the spacecraft magnetometer data there are three current systems which are the main contributors to the external magnetospheric magnetic field magnetopause currents ring current and tail current sheet Paraboloid model is based on an analytical solution of the Laplace equation for each of these large-scale current systems in the magnetosphere with a
Optimal Cluster Mill Pass Scheduling With an Accurate and Rapid New Strip Crown Model
NASA Astrophysics Data System (ADS)
Malik, Arif S.; Grandhi, Ramana V.; Zipf, Mark E.
2007-05-01
Besides the requirement to roll coiled sheet at high levels of productivity, the optimal pass scheduling of cluster-type reversing cold mills presents the added challenge of assigning mill parameters that facilitate the best possible strip flatness. The pressures of intense global competition, and the requirements for increasingly thinner, higher quality specialty sheet products that are more difficult to roll, continue to force metal producers to commission innovative flatness-control technologies. This means that during the on-line computerized set-up of rolling mills, the mathematical model should not only determine the minimum total number of passes and maximum rolling speed, it should simultaneously optimize the pass-schedule so that desired flatness is assured, either by manual or automated means. In many cases today, however, on-line prediction of strip crown and corresponding flatness for the complex cluster-type rolling mills is typically addressed either by trial and error, by approximate deflection models for equivalent vertical roll-stacks, or by non-physical pattern recognition style models. The abundance of the aforementioned methods is largely due to the complexity of cluster-type mill configurations and the lack of deflection models with sufficient accuracy and speed for on-line use. Without adequate assignment of the pass-schedule set-up parameters, it may be difficult or impossible to achieve the required strip flatness. In this paper, we demonstrate optimization of cluster mill pass-schedules using a new accurate and rapid strip crown model. This pass-schedule optimization includes computations of the predicted strip thickness profile to validate mathematical constraints. In contrast to many of the existing methods for on-line prediction of strip crown and flatness on cluster mills, the demonstrated method requires minimal prior tuning and no extensive training with collected mill data. To rapidly and accurately solve the multi-contact problem
Interactive Tooth Separation from Dental Model Using Segmentation Field
2016-01-01
Tooth segmentation on dental model is an essential step of computer-aided-design systems for orthodontic virtual treatment planning. However, fast and accurate identifying cutting boundary to separate teeth from dental model still remains a challenge, due to various geometrical shapes of teeth, complex tooth arrangements, different dental model qualities, and varying degrees of crowding problems. Most segmentation approaches presented before are not able to achieve a balance between fine segmentation results and simple operating procedures with less time consumption. In this article, we present a novel, effective and efficient framework that achieves tooth segmentation based on a segmentation field, which is solved by a linear system defined by a discrete Laplace-Beltrami operator with Dirichlet boundary conditions. A set of contour lines are sampled from the smooth scalar field, and candidate cutting boundaries can be detected from concave regions with large variations of field data. The sensitivity to concave seams of the segmentation field facilitates effective tooth partition, as well as avoids obtaining appropriate curvature threshold value, which is unreliable in some case. Our tooth segmentation algorithm is robust to dental models with low quality, as well as is effective to dental models with different levels of crowding problems. The experiments, including segmentation tests of varying dental models with different complexity, experiments on dental meshes with different modeling resolutions and surface noises and comparison between our method and the morphologic skeleton segmentation method are conducted, thus demonstrating the effectiveness of our method. PMID:27532266
Accurate Modeling of Galaxy Clustering on Small Scales: Testing the Standard ΛCDM + Halo Model
NASA Astrophysics Data System (ADS)
Sinha, Manodeep; Berlind, Andreas A.; McBride, Cameron; Scoccimarro, Roman
2015-01-01
The large-scale distribution of galaxies can be explained fairly simply by assuming (i) a cosmological model, which determines the dark matter halo distribution, and (ii) a simple connection between galaxies and the halos they inhabit. This conceptually simple framework, called the halo model, has been remarkably successful at reproducing the clustering of galaxies on all scales, as observed in various galaxy redshift surveys. However, none of these previous studies have carefully modeled the systematics and thus truly tested the halo model in a statistically rigorous sense. We present a new accurate and fully numerical halo model framework and test it against clustering measurements from two luminosity samples of galaxies drawn from the SDSS DR7. We show that the simple ΛCDM cosmology + halo model is not able to simultaneously reproduce the galaxy projected correlation function and the group multiplicity function. In particular, the more luminous sample shows significant tension with theory. We discuss the implications of our findings and how this work paves the way for constraining galaxy formation by accurate simultaneous modeling of multiple galaxy clustering statistics.
Accurate path integration in continuous attractor network models of grid cells.
Burak, Yoram; Fiete, Ila R
2009-02-01
Grid cells in the rat entorhinal cortex display strikingly regular firing responses to the animal's position in 2-D space and have been hypothesized to form the neural substrate for dead-reckoning. However, errors accumulate rapidly when velocity inputs are integrated in existing models of grid cell activity. To produce grid-cell-like responses, these models would require frequent resets triggered by external sensory cues. Such inadequacies, shared by various models, cast doubt on the dead-reckoning potential of the grid cell system. Here we focus on the question of accurate path integration, specifically in continuous attractor models of grid cell activity. We show, in contrast to previous models, that continuous attractor models can generate regular triangular grid responses, based on inputs that encode only the rat's velocity and heading direction. We consider the role of the network boundary in the integration performance of the network and show that both periodic and aperiodic networks are capable of accurate path integration, despite important differences in their attractor manifolds. We quantify the rate at which errors in the velocity integration accumulate as a function of network size and intrinsic noise within the network. With a plausible range of parameters and the inclusion of spike variability, our model networks can accurately integrate velocity inputs over a maximum of approximately 10-100 meters and approximately 1-10 minutes. These findings form a proof-of-concept that continuous attractor dynamics may underlie velocity integration in the dorsolateral medial entorhinal cortex. The simulations also generate pertinent upper bounds on the accuracy of integration that may be achieved by continuous attractor dynamics in the grid cell network. We suggest experiments to test the continuous attractor model and differentiate it from models in which single cells establish their responses independently of each other.
Creation of Anatomically Accurate Computer-Aided Design (CAD) Solid Models from Medical Images
NASA Technical Reports Server (NTRS)
Stewart, John E.; Graham, R. Scott; Samareh, Jamshid A.; Oberlander, Eric J.; Broaddus, William C.
1999-01-01
Most surgical instrumentation and implants used in the world today are designed with sophisticated Computer-Aided Design (CAD)/Computer-Aided Manufacturing (CAM) software. This software automates the mechanical development of a product from its conceptual design through manufacturing. CAD software also provides a means of manipulating solid models prior to Finite Element Modeling (FEM). Few surgical products are designed in conjunction with accurate CAD models of human anatomy because of the difficulty with which these models are created. We have developed a novel technique that creates anatomically accurate, patient specific CAD solids from medical images in a matter of minutes.
Gong, Yuanzheng; Hu, Danying; Hannaford, Blake; Seibel, Eric J.
2014-01-01
Abstract. Brain tumor margin removal is challenging because diseased tissue is often visually indistinguishable from healthy tissue. Leaving residual tumor leads to decreased survival, and removing normal tissue causes life-long neurological deficits. Thus, a surgical robotics system with a high degree of dexterity, accurate navigation, and highly precise resection is an ideal candidate for image-guided removal of fluorescently labeled brain tumor cells. To image, we developed a scanning fiber endoscope (SFE) which acquires concurrent reflectance and fluorescence wide-field images at a high resolution. This miniature flexible endoscope was affixed to the arm of a RAVEN II surgical robot providing programmable motion with feedback control using stereo-pair surveillance cameras. To verify the accuracy of the three-dimensional (3-D) reconstructed surgical field, a multimodal physical-sized model of debulked brain tumor was used to obtain the 3-D locations of residual tumor for robotic path planning to remove fluorescent cells. Such reconstruction is repeated intraoperatively during margin clean-up so the algorithm efficiency and accuracy are important to the robotically assisted surgery. Experimental results indicate that the time for creating this 3-D surface can be reduced to one-third by using known trajectories of a robot arm, and the error from the reconstructed phantom is within 0.67 mm in average compared to the model design. PMID:26158071
Local Debonding and Fiber Breakage in Composite Materials Modeled Accurately
NASA Technical Reports Server (NTRS)
Bednarcyk, Brett A.; Arnold, Steven M.
2001-01-01
A prerequisite for full utilization of composite materials in aerospace components is accurate design and life prediction tools that enable the assessment of component performance and reliability. Such tools assist both structural analysts, who design and optimize structures composed of composite materials, and materials scientists who design and optimize the composite materials themselves. NASA Glenn Research Center's Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC) software package (http://www.grc.nasa.gov/WWW/LPB/mac) addresses this need for composite design and life prediction tools by providing a widely applicable and accurate approach to modeling composite materials. Furthermore, MAC/GMC serves as a platform for incorporating new local models and capabilities that are under development at NASA, thus enabling these new capabilities to progress rapidly to a stage in which they can be employed by the code's end users.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Brito, Thiago V.; Morley, Steven K.
A method for comparing and optimizing the accuracy of empirical magnetic field models using in situ magnetic field measurements is presented in this paper. The optimization method minimizes a cost function—τ—that explicitly includes both a magnitude and an angular term. A time span of 21 days, including periods of mild and intense geomagnetic activity, was used for this analysis. A comparison between five magnetic field models (T96, T01S, T02, TS04, and TS07) widely used by the community demonstrated that the T02 model was, on average, the most accurate when driven by the standard model input parameters. The optimization procedure, performedmore » in all models except TS07, generally improved the results when compared to unoptimized versions of the models. Additionally, using more satellites in the optimization procedure produces more accurate results. This procedure reduces the number of large errors in the model, that is, it reduces the number of outliers in the error distribution. The TS04 model shows the most accurate results after the optimization in terms of both the magnitude and direction, when using at least six satellites in the fitting. It gave a smaller error than its unoptimized counterpart 57.3% of the time and outperformed the best unoptimized model (T02) 56.2% of the time. Its median percentage error in |B| was reduced from 4.54% to 3.84%. Finally, the difference among the models analyzed, when compared in terms of the median of the error distributions, is not very large. However, the unoptimized models can have very large errors, which are much reduced after the optimization.« less
Brito, Thiago V.; Morley, Steven K.
2017-10-25
A method for comparing and optimizing the accuracy of empirical magnetic field models using in situ magnetic field measurements is presented in this paper. The optimization method minimizes a cost function—τ—that explicitly includes both a magnitude and an angular term. A time span of 21 days, including periods of mild and intense geomagnetic activity, was used for this analysis. A comparison between five magnetic field models (T96, T01S, T02, TS04, and TS07) widely used by the community demonstrated that the T02 model was, on average, the most accurate when driven by the standard model input parameters. The optimization procedure, performedmore » in all models except TS07, generally improved the results when compared to unoptimized versions of the models. Additionally, using more satellites in the optimization procedure produces more accurate results. This procedure reduces the number of large errors in the model, that is, it reduces the number of outliers in the error distribution. The TS04 model shows the most accurate results after the optimization in terms of both the magnitude and direction, when using at least six satellites in the fitting. It gave a smaller error than its unoptimized counterpart 57.3% of the time and outperformed the best unoptimized model (T02) 56.2% of the time. Its median percentage error in |B| was reduced from 4.54% to 3.84%. Finally, the difference among the models analyzed, when compared in terms of the median of the error distributions, is not very large. However, the unoptimized models can have very large errors, which are much reduced after the optimization.« less
Evaluation of candidate geomagnetic field models for IGRF-11
NASA Astrophysics Data System (ADS)
Finlay, C. C.; Maus, S.; Beggan, C. D.; Hamoudi, M.; Lowes, F. J.; Olsen, N.; Thébault, E.
2010-10-01
The eleventh generation of the International Geomagnetic Reference Field (IGRF) was agreed in December 2009 by a task force appointed by the International Association of Geomagnetism and Aeronomy (IAGA) Division V Working Group V-MOD. New spherical harmonic main field models for epochs 2005.0 (DGRF-2005) and 2010.0 (IGRF-2010), and predictive linear secular variation for the interval 2010.0-2015.0 (SV-2010-2015) were derived from weighted averages of candidate models submitted by teams led by DTU Space, Denmark (team A); NOAA/NGDC, U.S.A. (team B); BGS, U.K. (team C); IZMIRAN, Russia (team D); EOST, France (team E); IPGP, France (team F); GFZ, Germany (team G) and NASA-GSFC, U.S.A. (team H). Here, we report the evaluations of candidate models carried out by the IGRF-11 task force during October/November 2009 and describe the weightings used to derive the new IGRF-11 model. The evaluations include calculations of root mean square vector field differences between the candidates, comparisons of the power spectra, and degree correlations between the candidates and a mean model. Coefficient by coefficient analysis including determination of weighting factors used in a robust estimation of mean coefficients is also reported. Maps of differences in the vertical field intensity at Earth's surface between the candidates and weighted mean models are presented. Candidates with anomalous aspects are identified and efforts made to pinpoint both troublesome coefficients and geographical regions where large variations between candidates originate. A retrospective analysis of IGRF-10 main field candidates for epoch 2005.0 and predictive secular variation candidates for 2005.0-2010.0 using the new IGRF-11 models as a reference is also reported. The high quality and consistency of main field models derived using vector satellite data is demonstrated; based on internal consistency DGRF-2005 has a formal root mean square vector field error over Earth's surface of 1.0 nT. Difficulties
Simplified realistic human head model for simulating Tumor Treating Fields (TTFields).
Wenger, Cornelia; Bomzon, Ze'ev; Salvador, Ricardo; Basser, Peter J; Miranda, Pedro C
2016-08-01
Tumor Treating Fields (TTFields) are alternating electric fields in the intermediate frequency range (100-300 kHz) of low-intensity (1-3 V/cm). TTFields are an anti-mitotic treatment against solid tumors, which are approved for Glioblastoma Multiforme (GBM) patients. These electric fields are induced non-invasively by transducer arrays placed directly on the patient's scalp. Cell culture experiments showed that treatment efficacy is dependent on the induced field intensity. In clinical practice, a software called NovoTalTM uses head measurements to estimate the optimal array placement to maximize the electric field delivery to the tumor. Computational studies predict an increase in the tumor's electric field strength when adapting transducer arrays to its location. Ideally, a personalized head model could be created for each patient, to calculate the electric field distribution for the specific situation. Thus, the optimal transducer layout could be inferred from field calculation rather than distance measurements. Nonetheless, creating realistic head models of patients is time-consuming and often needs user interaction, because automated image segmentation is prone to failure. This study presents a first approach to creating simplified head models consisting of convex hulls of the tissue layers. The model is able to account for anisotropic conductivity in the cortical tissues by using a tensor representation estimated from Diffusion Tensor Imaging. The induced electric field distribution is compared in the simplified and realistic head models. The average field intensities in the brain and tumor are generally slightly higher in the realistic head model, with a maximal ratio of 114% for a simplified model with reasonable layer thicknesses. Thus, the present pipeline is a fast and efficient means towards personalized head models with less complexity involved in characterizing tissue interfaces, while enabling accurate predictions of electric field distribution.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Cleary, M.P.
This paper provides comments to a companion journal paper on predictive modeling of hydraulic fracturing patterns (N.R. Warpinski et. al., 1994). The former paper was designed to compare various modeling methods to demonstrate the most accurate methods under various geologic constraints. The comments of this paper are centered around potential deficiencies in the former authors paper which include: limited actual comparisons offered between models, the issues of matching predictive data with that from related field operations was lacking or undocumented, and the relevance/impact of accurate modeling on the overall hydraulic fracturing cost and production.
Accurate protein structure modeling using sparse NMR data and homologous structure information.
Thompson, James M; Sgourakis, Nikolaos G; Liu, Gaohua; Rossi, Paolo; Tang, Yuefeng; Mills, Jeffrey L; Szyperski, Thomas; Montelione, Gaetano T; Baker, David
2012-06-19
While information from homologous structures plays a central role in X-ray structure determination by molecular replacement, such information is rarely used in NMR structure determination because it can be incorrect, both locally and globally, when evolutionary relationships are inferred incorrectly or there has been considerable evolutionary structural divergence. Here we describe a method that allows robust modeling of protein structures of up to 225 residues by combining (1)H(N), (13)C, and (15)N backbone and (13)Cβ chemical shift data, distance restraints derived from homologous structures, and a physically realistic all-atom energy function. Accurate models are distinguished from inaccurate models generated using incorrect sequence alignments by requiring that (i) the all-atom energies of models generated using the restraints are lower than models generated in unrestrained calculations and (ii) the low-energy structures converge to within 2.0 Å backbone rmsd over 75% of the protein. Benchmark calculations on known structures and blind targets show that the method can accurately model protein structures, even with very remote homology information, to a backbone rmsd of 1.2-1.9 Å relative to the conventional determined NMR ensembles and of 0.9-1.6 Å relative to X-ray structures for well-defined regions of the protein structures. This approach facilitates the accurate modeling of protein structures using backbone chemical shift data without need for side-chain resonance assignments and extensive analysis of NOESY cross-peak assignments.
NASA Technical Reports Server (NTRS)
Voorhies, Coerte V.; Conrad, Joy
1996-01-01
The geomagnetic spatial power spectrum R(sub n)(r) is the mean square magnetic induction represented by degree n spherical harmonic coefficients of the internal scalar potential averaged over the geocentric sphere of radius r. McLeod's Rule for the magnetic field generated by Earth's core geodynamo says that the expected core surface power spectrum (R(sub nc)(c)) is inversely proportional to (2n + 1) for 1 less than n less than or equal to N(sub E). McLeod's Rule is verified by locating Earth's core with main field models of Magsat data; the estimated core radius of 3485 kn is close to the seismologic value for c of 3480 km. McLeod's Rule and similar forms are then calibrated with the model values of R(sub n) for 3 less than or = n less than or = 12. Extrapolation to the degree 1 dipole predicts the expectation value of Earth's dipole moment to be about 5.89 x 10(exp 22) Am(exp 2)rms (74.5% of the 1980 value) and the expected geomagnetic intensity to be about 35.6 (mu)T rms at Earth's surface. Archeo- and paleomagnetic field intensity data show these and related predictions to be reasonably accurate. The probability distribution chi(exp 2) with 2n+1 degrees of freedom is assigned to (2n + 1)R(sub nc)/(R(sub nc). Extending this to the dipole implies that an exceptionally weak absolute dipole moment (less than or = 20% of the 1980 value) will exist during 2.5% of geologic time. The mean duration for such major geomagnetic dipole power excursions, one quarter of which feature durable axial dipole reversal, is estimated from the modern dipole power time-scale and the statistical model of excursions. The resulting mean excursion duration of 2767 years forces us to predict an average of 9.04 excursions per million years, 2.26 axial dipole reversals per million years, and a mean reversal duration of 5533 years. Paleomagnetic data show these predictions to be quite accurate. McLeod's Rule led to accurate predictions of Earth's core radius, mean paleomagnetic field
NASA Astrophysics Data System (ADS)
Harms, Justin D.; Bachmann, Charles M.; Ambeau, Brittany L.; Faulring, Jason W.; Ruiz Torres, Andres J.; Badura, Gregory; Myers, Emily
2017-10-01
Field-portable goniometers are created for a wide variety of applications. Many of these applications require specific types of instruments and measurement schemes and must operate in challenging environments. Therefore, designs are based on the requirements that are specific to the application. We present a field-portable goniometer that was designed for measuring the hemispherical-conical reflectance factor (HCRF) of various soils and low-growing vegetation in austere coastal and desert environments and biconical reflectance factors in laboratory settings. Unlike some goniometers, this system features a requirement for "target-plane tracking" to ensure that measurements can be collected on sloped surfaces, without compromising angular accuracy. The system also features a second upward-looking spectrometer to measure the spatially dependent incoming illumination, an integrated software package to provide full automation, an automated leveling system to ensure a standard frame of reference, a design that minimizes the obscuration due to self-shading to measure the opposition effect, and the ability to record a digital elevation model of the target region. This fully automated and highly mobile system obtains accurate and precise measurements of HCRF in a wide variety of terrain and in less time than most other systems while not sacrificing consistency or repeatability in laboratory environments.
Accurate modeling of the hose instability in plasma wakefield accelerators
Mehrling, T. J.; Benedetti, C.; Schroeder, C. B.; ...
2018-05-20
Hosing is a major challenge for the applicability of plasma wakefield accelerators and its modeling is therefore of fundamental importance to facilitate future stable and compact plasma-based particle accelerators. In this contribution, we present a new model for the evolution of the plasma centroid, which enables the accurate investigation of the hose instability in the nonlinear blowout regime. Lastly, it paves the road for more precise and comprehensive studies of hosing, e.g., with drive and witness beams, which were not possible with previous models.
Accurate modeling of the hose instability in plasma wakefield accelerators
NASA Astrophysics Data System (ADS)
Mehrling, T. J.; Benedetti, C.; Schroeder, C. B.; Martinez de la Ossa, A.; Osterhoff, J.; Esarey, E.; Leemans, W. P.
2018-05-01
Hosing is a major challenge for the applicability of plasma wakefield accelerators and its modeling is therefore of fundamental importance to facilitate future stable and compact plasma-based particle accelerators. In this contribution, we present a new model for the evolution of the plasma centroid, which enables the accurate investigation of the hose instability in the nonlinear blowout regime. It paves the road for more precise and comprehensive studies of hosing, e.g., with drive and witness beams, which were not possible with previous models.
Accurate modeling of the hose instability in plasma wakefield accelerators
DOE Office of Scientific and Technical Information (OSTI.GOV)
Mehrling, T. J.; Benedetti, C.; Schroeder, C. B.
Hosing is a major challenge for the applicability of plasma wakefield accelerators and its modeling is therefore of fundamental importance to facilitate future stable and compact plasma-based particle accelerators. In this contribution, we present a new model for the evolution of the plasma centroid, which enables the accurate investigation of the hose instability in the nonlinear blowout regime. Lastly, it paves the road for more precise and comprehensive studies of hosing, e.g., with drive and witness beams, which were not possible with previous models.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Pino, Francisco; Roé, Nuria; Aguiar, Pablo, E-mail: pablo.aguiar.fernandez@sergas.es
2015-02-15
Purpose: Single photon emission computed tomography (SPECT) has become an important noninvasive imaging technique in small-animal research. Due to the high resolution required in small-animal SPECT systems, the spatially variant system response needs to be included in the reconstruction algorithm. Accurate modeling of the system response should result in a major improvement in the quality of reconstructed images. The aim of this study was to quantitatively assess the impact that an accurate modeling of spatially variant collimator/detector response has on image-quality parameters, using a low magnification SPECT system equipped with a pinhole collimator and a small gamma camera. Methods: Threemore » methods were used to model the point spread function (PSF). For the first, only the geometrical pinhole aperture was included in the PSF. For the second, the septal penetration through the pinhole collimator was added. In the third method, the measured intrinsic detector response was incorporated. Tomographic spatial resolution was evaluated and contrast, recovery coefficients, contrast-to-noise ratio, and noise were quantified using a custom-built NEMA NU 4–2008 image-quality phantom. Results: A high correlation was found between the experimental data corresponding to intrinsic detector response and the fitted values obtained by means of an asymmetric Gaussian distribution. For all PSF models, resolution improved as the distance from the point source to the center of the field of view increased and when the acquisition radius diminished. An improvement of resolution was observed after a minimum of five iterations when the PSF modeling included more corrections. Contrast, recovery coefficients, and contrast-to-noise ratio were better for the same level of noise in the image when more accurate models were included. Ring-type artifacts were observed when the number of iterations exceeded 12. Conclusions: Accurate modeling of the PSF improves resolution, contrast, and
Fan, Tingbo; Liu, Zhenbo; Chen, Tao; Li, Faqi; Zhang, Dong
2011-09-01
In this work, the authors propose a modeling approach to compute the nonlinear acoustic field generated by a flat piston transmitter with an attached aluminum lens. In this approach, the geometrical parameters (radius and focal length) of a virtual source are initially determined by Snell's refraction law and then adjusted based on the Rayleigh integral result in the linear case. Then, this virtual source is used with the nonlinear spheroidal beam equation (SBE) model to predict the nonlinear acoustic field in the focal region. To examine the validity of this approach, the calculated nonlinear result is compared with those from the Westervelt and (Khokhlov-Zabolotskaya-Kuznetsov) KZK equations for a focal intensity of 7 kW/cm(2). Results indicate that this approach could accurately describe the nonlinear acoustic field in the focal region with less computation time. The proposed modeling approach is shown to accurately describe the nonlinear acoustic field in the focal region. Compared with the Westervelt equation, the computation time of this approach is significantly reduced. It might also be applicable for the widely used concave focused transmitter with a large aperture angle.
Accurate ab initio quartic force fields for the ions HCO(+) and HOC(+)
NASA Technical Reports Server (NTRS)
Martin, J. M. L.; Taylor, Peter R.; Lee, Timothy J.
1993-01-01
The quartic force fields of HCO(+) and HOC(+) have been computed using augmented coupled cluster methods and basis sets of spdf and spdfg quality. Calculations on HCN, CO, and N2 have been performed to assist in calibrating the computed results. Going from an spdf to an spdfg basis shortens triple bonds by about 0.004 A, and increases the corresponding harmonic frequency by 10-20/cm, leaving bond distances about 0.003 A too long and triple bond stretching frequencies about 5/cm too low. Accurate estimates for the bond distances, fundamental frequencies, and thermochemical quantities are given. HOC(+) lies 37.8 +/- 0.5 kcal/mol (0 K) above HCO(+); the classical barrier height for proton exchange is 76.7 +/- 1.0 kcal/mol.
Experimental and Theoretical Study of Flow Fields Around Ducted-Nacelle Models
NASA Technical Reports Server (NTRS)
Mack, Robert J.
1998-01-01
The flow field near four small-scale ducted-nacelle bodies of revolution has been analytically and experimentally studied to determine exterior and interior mass-flow characteristics, and to measure flow-field overpressures generated by the nacelle's forebody shape. Four nacelle models with the same profile, but of different sizes, were used in the study. Shadowgraph pictures showed inlet shocks attached to the cowl lip (indicating unchoked flow) on all four models, at all the test Mach numbers, through an angle of attack range of 0.0 to 6.0 degrees. Pressure signatures measured in the flow field of the largest of the four nacelle models were compared with those predicted by corrected and uncorrected Whitham theory. At separation distances greater than 3.0 to 4.0 inlet diameters, good agreement was found. Poorer agreement was found at extreme near-field separation distances, but this was attributed to pressure-gage limitations and probe-flow field interactions. The overall favorable results supported a conclusion that corrected Whitham theory was sufficiently accurate to make the nacelle-wing interference-lift code useful for sonic-boom analysis and the preliminary design of supersonic-cruise conceptual aircraft.
Accurate analytical modeling of junctionless DG-MOSFET by green's function approach
NASA Astrophysics Data System (ADS)
Nandi, Ashutosh; Pandey, Nilesh
2017-11-01
An accurate analytical model of Junctionless double gate MOSFET (JL-DG-MOSFET) in the subthreshold regime of operation is developed in this work using green's function approach. The approach considers 2-D mixed boundary conditions and multi-zone techniques to provide an exact analytical solution to 2-D Poisson's equation. The Fourier coefficients are calculated correctly to derive the potential equations that are further used to model the channel current and subthreshold slope of the device. The threshold voltage roll-off is computed from parallel shifts of Ids-Vgs curves between the long channel and short-channel devices. It is observed that the green's function approach of solving 2-D Poisson's equation in both oxide and silicon region can accurately predict channel potential, subthreshold current (Isub), threshold voltage (Vt) roll-off and subthreshold slope (SS) of both long & short channel devices designed with different doping concentrations and higher as well as lower tsi/tox ratio. All the analytical model results are verified through comparisons with TCAD Sentaurus simulation results. It is observed that the model matches quite well with TCAD device simulations.
Marchioro, C A; Krechemer, F S; de Moraes, C P; Foerster, L A
2015-12-01
The diamondback moth, Plutella xylostella (L.), is a cosmopolitan pest of brassicaceous crops occurring in regions with highly distinct climate conditions. Several studies have investigated the relationship between temperature and P. xylostella development rate, providing degree-day models for populations from different geographical regions. However, there are no data available to date to demonstrate the suitability of such models to make reliable projections on the development time for this species in field conditions. In the present study, 19 models available in the literature were tested regarding their ability to accurately predict the development time of two cohorts of P. xylostella under field conditions. Only 11 out of the 19 models tested accurately predicted the development time for the first cohort of P. xylostella, but only seven for the second cohort. Five models correctly predicted the development time for both cohorts evaluated. Our data demonstrate that the accuracy of the models available for P. xylostella varies widely and therefore should be used with caution for pest management purposes.
NASA Astrophysics Data System (ADS)
Galanti, Eli; Durante, Daniele; Finocchiaro, Stefano; Iess, Luciano; Kaspi, Yohai
2017-07-01
The upcoming Juno spacecraft measurements have the potential of improving our knowledge of Jupiter’s gravity field. The analysis of the Juno Doppler data will provide a very accurate reconstruction of spatial gravity variations, but these measurements will be very accurate only over a limited latitudinal range. In order to deduce the full gravity field of Jupiter, additional information needs to be incorporated into the analysis, especially regarding the Jovian flow structure and its depth, which can influence the measured gravity field. In this study we propose a new iterative method for the estimation of the Jupiter gravity field, using a simulated Juno trajectory, a trajectory estimation model, and an adjoint-based inverse model for the flow dynamics. We test this method both for zonal harmonics only and with a full gravity field including tesseral harmonics. The results show that this method can fit some of the gravitational harmonics better to the “measured” harmonics, mainly because of the added information from the dynamical model, which includes the flow structure. Thus, it is suggested that the method presented here has the potential of improving the accuracy of the expected gravity harmonics estimated from the Juno and Cassini radio science experiments.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Galanti, Eli; Kaspi, Yohai; Durante, Daniele
The upcoming Juno spacecraft measurements have the potential of improving our knowledge of Jupiter’s gravity field. The analysis of the Juno Doppler data will provide a very accurate reconstruction of spatial gravity variations, but these measurements will be very accurate only over a limited latitudinal range. In order to deduce the full gravity field of Jupiter, additional information needs to be incorporated into the analysis, especially regarding the Jovian flow structure and its depth, which can influence the measured gravity field. In this study we propose a new iterative method for the estimation of the Jupiter gravity field, using a simulatedmore » Juno trajectory, a trajectory estimation model, and an adjoint-based inverse model for the flow dynamics. We test this method both for zonal harmonics only and with a full gravity field including tesseral harmonics. The results show that this method can fit some of the gravitational harmonics better to the “measured” harmonics, mainly because of the added information from the dynamical model, which includes the flow structure. Thus, it is suggested that the method presented here has the potential of improving the accuracy of the expected gravity harmonics estimated from the Juno and Cassini radio science experiments.« less
Wu, Liejun; Chen, Maoxue; Chen, Yongli; Li, Qing X.
2013-01-01
The gas holdup time (tM) is a dominant parameter in gas chromatographic retention models. The difference equation (DE) model proposed by Wu et al. (J. Chromatogr. A 2012, http://dx.doi.org/10.1016/j.chroma.2012.07.077) excluded tM. In the present paper, we propose that the relationship between the adjusted retention time tRZ′ and carbon number z of n-alkanes follows a quadratic equation (QE) when an accurate tM is obtained. This QE model is the same as or better than the DE model for an accurate expression of the retention behavior of n-alkanes and model applications. The QE model covers a larger range of n-alkanes with better curve fittings than the linear model. The accuracy of the QE model was approximately 2–6 times better than the DE model and 18–540 times better than the LE model. Standard deviations of the QE model were approximately 2–3 times smaller than those of the DE model. PMID:22989489
NASA Technical Reports Server (NTRS)
Liemohn, Michael W.; Ridley, Aaron J.; Kozyra, Janet U.; Gallagher, Dennis L.; Thomsen, Michelle F.; Henderson, Michael G.; Denton, Michael H.; Brandt, Pontus C.; Goldstein, Jerry
2006-01-01
The storm-time inner magnetospheric electric field morphology and dynamics are assessed by comparing numerical modeling results of the plasmasphere and ring current with many in situ and remote sensing data sets. Two magnetic storms are analyzed, April 22,2001 and October 21-23,2001, which are the events selected for the Geospace Environment Modeling (GEM) Inner Magnetosphere/Storms (IM/S) Assessment Challenge (IMSAC). The IMSAC seeks to quantify the accuracy of inner magnetospheric models as well as synthesize our understanding of this region. For each storm, the ring current-atmosphere interaction model (RAM) and the dynamic global core plasma model (DGCPM) were run together with various settings for the large-scale convection electric field and the nightside ionospheric conductance. DGCPM plasmaspheric parameters were compared with IMAGE-EUV plasmapause extractions and LANL-MPA plume locations and velocities. RAM parameters were compared with Dst*, LANL-MPA fluxes and moments, IMAGE-MENA images, and IMAGE-HENA images. Both qualitative and quantitative comparisons were made to determine the electric field morphology that allows the model results to best fit the plasma data at various times during these events. The simulations with self-consistent electric fields were, in general, better than those with prescribed field choices. This indicates that the time-dependent modulation of the inner magnetospheric electric fields by the nightside ionosphere is quite significant for accurate determination of these fields (and their effects). It was determined that a shielded Volland-Stern field description driven by the 3-hour Kp index yields accurate results much of the time, but can be quite inconsistent. The modified Mcllwain field description clearly lagged in overall accuracy compared to the other fields, but matched some data sets (like Dst*) quite well. The rankings between the simulations varied depending on the storm and the individual data sets, indicating that
Saturn's Magnetic Field Model: Birotor Dipole From Cassini RPWS and MAG Experiments
NASA Astrophysics Data System (ADS)
Galopeau, P. H. M.
2016-12-01
The radio and plasma wave science (RPWS) experiment on board the Cassini spacecraft, orbiting around Saturn since July 2004, revealed the presence of two distinct and variable rotation periods in the Saturnian kilometric radiation (SKR) which were attributed to the northern and southern hemispheres respectively. We believe that the periodic time modulations present in the SKR are mainly due to the rotation of Saturn's inner magnetic field. The existence of a double period implies that the inner field is not only limited to a simple rotation dipole but displays more complex structures having the same time periodicities than the radio emission. In order to build a model of this complex magnetic field, it is absolutely necessary to know the accurate phases of rotation linked with the two periods. The radio observations from the RPWS experiment allow a continuous and accurate follow-up of these rotation phases, since the SKR emission is permanently observable and produced very close to the planetary surface. A wavelet transform analysis of the intensity of the SKR signal received at 290 kHz between July 2004 and June 2012 was performed in order to calculate in the same time the different periodicities and phases. A dipole model was proposed for Saturn's inner magnetic field: this dipole presents the particularity to have North and South poles rotating around Saturn's axis at two different angular velocities; this dipole is tilted and not centered. 57 Cassini's revolutions, the periapsis of which is less than 5 Saturnian radii, have been selected for this study. For each of these chosen orbits, it is possible to fit with high precision the measurements of the MAG data experiment given by the magnetometers embarked on board Cassini. A nonrotating external magnetic field completes the model. This study suggests that Saturn's inner magnetic field is neither stationary nor fully axisymmetric. These results can be used as a boundary condition for modelling and constraining
NASA Astrophysics Data System (ADS)
Martinek, Tomas; Duboué-Dijon, Elise; Timr, Štěpán; Mason, Philip E.; Baxová, Katarina; Fischer, Henry E.; Schmidt, Burkhard; Pluhařová, Eva; Jungwirth, Pavel
2018-06-01
We present a combination of force field and ab initio molecular dynamics simulations together with neutron scattering experiments with isotopic substitution that aim at characterizing ion hydration and pairing in aqueous calcium chloride and formate/acetate solutions. Benchmarking against neutron scattering data on concentrated solutions together with ion pairing free energy profiles from ab initio molecular dynamics allows us to develop an accurate calcium force field which accounts in a mean-field way for electronic polarization effects via charge rescaling. This refined calcium parameterization is directly usable for standard molecular dynamics simulations of processes involving this key biological signaling ion.
Accurate monoenergetic electron parameters of laser wakefield in a bubble model
NASA Astrophysics Data System (ADS)
Raheli, A.; Rahmatallahpur, S. H.
2012-11-01
A reliable analytical expression for the potential of plasma waves with phase velocities near the speed of light is derived. The presented spheroid cavity model is more consistent than the previous spherical and ellipsoidal model and it explains the mono-energetic electron trajectory more accurately, especially at the relativistic region. As a result, the quasi-mono-energetic electrons output beam interacting with the laser plasma can be more appropriately described with this model.
Impact of geophysical model error for recovering temporal gravity field model
NASA Astrophysics Data System (ADS)
Zhou, Hao; Luo, Zhicai; Wu, Yihao; Li, Qiong; Xu, Chuang
2016-07-01
The impact of geophysical model error on recovered temporal gravity field models with both real and simulated GRACE observations is assessed in this paper. With real GRACE observations, we build four temporal gravity field models, i.e., HUST08a, HUST11a, HUST04 and HUST05. HUST08a and HUST11a are derived from different ocean tide models (EOT08a and EOT11a), while HUST04 and HUST05 are derived from different non-tidal models (AOD RL04 and AOD RL05). The statistical result shows that the discrepancies of the annual mass variability amplitudes in six river basins between HUST08a and HUST11a models, HUST04 and HUST05 models are all smaller than 1 cm, which demonstrates that geophysical model error slightly affects the current GRACE solutions. The impact of geophysical model error for future missions with more accurate satellite ranging is also assessed by simulation. The simulation results indicate that for current mission with range rate accuracy of 2.5 × 10- 7 m/s, observation error is the main reason for stripe error. However, when the range rate accuracy improves to 5.0 × 10- 8 m/s in the future mission, geophysical model error will be the main source for stripe error, which will limit the accuracy and spatial resolution of temporal gravity model. Therefore, observation error should be the primary error source taken into account at current range rate accuracy level, while more attention should be paid to improving the accuracy of background geophysical models for the future mission.
NASA Astrophysics Data System (ADS)
Cheng, Qing; Yang, Xiaofeng; Shen, Jie
2017-07-01
In this paper, we consider numerical approximations of a hydro-dynamically coupled phase field diblock copolymer model, in which the free energy contains a kinetic potential, a gradient entropy, a Ginzburg-Landau double well potential, and a long range nonlocal type potential. We develop a set of second order time marching schemes for this system using the "Invariant Energy Quadratization" approach for the double well potential, the projection method for the Navier-Stokes equation, and a subtle implicit-explicit treatment for the stress and convective term. The resulting schemes are linear and lead to symmetric positive definite systems at each time step, thus they can be efficiently solved. We further prove that these schemes are unconditionally energy stable. Various numerical experiments are performed to validate the accuracy and energy stability of the proposed schemes.
A pairwise maximum entropy model accurately describes resting-state human brain networks
Watanabe, Takamitsu; Hirose, Satoshi; Wada, Hiroyuki; Imai, Yoshio; Machida, Toru; Shirouzu, Ichiro; Konishi, Seiki; Miyashita, Yasushi; Masuda, Naoki
2013-01-01
The resting-state human brain networks underlie fundamental cognitive functions and consist of complex interactions among brain regions. However, the level of complexity of the resting-state networks has not been quantified, which has prevented comprehensive descriptions of the brain activity as an integrative system. Here, we address this issue by demonstrating that a pairwise maximum entropy model, which takes into account region-specific activity rates and pairwise interactions, can be robustly and accurately fitted to resting-state human brain activities obtained by functional magnetic resonance imaging. Furthermore, to validate the approximation of the resting-state networks by the pairwise maximum entropy model, we show that the functional interactions estimated by the pairwise maximum entropy model reflect anatomical connexions more accurately than the conventional functional connectivity method. These findings indicate that a relatively simple statistical model not only captures the structure of the resting-state networks but also provides a possible method to derive physiological information about various large-scale brain networks. PMID:23340410
Gröning, Flora; Jones, Marc E. H.; Curtis, Neil; Herrel, Anthony; O'Higgins, Paul; Evans, Susan E.; Fagan, Michael J.
2013-01-01
Computer-based simulation techniques such as multi-body dynamics analysis are becoming increasingly popular in the field of skull mechanics. Multi-body models can be used for studying the relationships between skull architecture, muscle morphology and feeding performance. However, to be confident in the modelling results, models need to be validated against experimental data, and the effects of uncertainties or inaccuracies in the chosen model attributes need to be assessed with sensitivity analyses. Here, we compare the bite forces predicted by a multi-body model of a lizard (Tupinambis merianae) with in vivo measurements, using anatomical data collected from the same specimen. This subject-specific model predicts bite forces that are very close to the in vivo measurements and also shows a consistent increase in bite force as the bite position is moved posteriorly on the jaw. However, the model is very sensitive to changes in muscle attributes such as fibre length, intrinsic muscle strength and force orientation, with bite force predictions varying considerably when these three variables are altered. We conclude that accurate muscle measurements are crucial to building realistic multi-body models and that subject-specific data should be used whenever possible. PMID:23614944
USDA-ARS?s Scientific Manuscript database
Accurate electromagnetic sensing of soil water contents (') under field conditions is complicated by the dependence of permittivity on specific surface area, temperature, and apparent electrical conductivity, all which may vary across space or time. We present a physically-based mixing model to pred...
Accurate, low-cost 3D-models of gullies
NASA Astrophysics Data System (ADS)
Onnen, Nils; Gronz, Oliver; Ries, Johannes B.; Brings, Christine
2015-04-01
Soil erosion is a widespread problem in arid and semi-arid areas. The most severe form is the gully erosion. They often cut into agricultural farmland and can make a certain area completely unproductive. To understand the development and processes inside and around gullies, we calculated detailed 3D-models of gullies in the Souss Valley in South Morocco. Near Taroudant, we had four study areas with five gullies different in size, volume and activity. By using a Canon HF G30 Camcorder, we made varying series of Full HD videos with 25fps. Afterwards, we used the method Structure from Motion (SfM) to create the models. To generate accurate models maintaining feasible runtimes, it is necessary to select around 1500-1700 images from the video, while the overlap of neighboring images should be at least 80%. In addition, it is very important to avoid selecting photos that are blurry or out of focus. Nearby pixels of a blurry image tend to have similar color values. That is why we used a MATLAB script to compare the derivatives of the images. The higher the sum of the derivative, the sharper an image of similar objects. MATLAB subdivides the video into image intervals. From each interval, the image with the highest sum is selected. E.g.: 20min. video at 25fps equals 30.000 single images. The program now inspects the first 20 images, saves the sharpest and moves on to the next 20 images etc. Using this algorithm, we selected 1500 images for our modeling. With VisualSFM, we calculated features and the matches between all images and produced a point cloud. Then, MeshLab has been used to build a surface out of it using the Poisson surface reconstruction approach. Afterwards we are able to calculate the size and the volume of the gullies. It is also possible to determine soil erosion rates, if we compare the data with old recordings. The final step would be the combination of the terrestrial data with the data from our aerial photography. So far, the method works well and we
Analytical model for fast reconnection in large guide field plasma configurations
NASA Astrophysics Data System (ADS)
Simakov, A. N.; Chacón, L.; Grasso, D.; Borgogno, D.; Zocco, A.
2009-11-01
Significant progress in understanding magnetic reconnection without a guide field was made recently by deriving quantitatively accurate analytical models for reconnection in electron [1] and Hall [2] MHD. However, no such analytical model is available for reconnection with a guide field. Here, we derive such an analytical model for the large-guide-field, low-β, cold-ion fluid model [3] with electron inertia, ion viscosity μ, and resistivity η. We find that the reconnection is Sweet-Parker-like when the Sweet-Parker layer thickness δSP> (ρs^4 + de^4)^1/4, with ρs and de the sound Larmor radius and electron inertial length. However, reconnection changes character otherwise, resulting in reconnection rates Ez/Bx^2 √2 η/μ (ρs^2 + de^2)/(ρsw) with Bx the upstream magnetic field and w the diffusion region length. Unlike the zero-guide-field case, μ plays crucial role in manifesting fast reconnection rates. If it represents the perpendicular viscosity [3], √η/μ ˜&-1circ;√(me/mi)(Ti/Te) and Ez becomes dissipation independent and therefore potentially fast.[0pt] [1] L. Chac'on, A. N. Simakov, and A. Zocco, PRL 99, 235001 (2007).[0pt] [2] A. N. Simakov and L. Chac'on, PRL 101, 105003 (2008).[0pt] [3] D. Biskamp, Magnetic reconnection in plasmas, Cambridge University Press, 2000.
Field Model: An Object-Oriented Data Model for Fields
NASA Technical Reports Server (NTRS)
Moran, Patrick J.
2001-01-01
We present an extensible, object-oriented data model designed for field data entitled Field Model (FM). FM objects can represent a wide variety of fields, including fields of arbitrary dimension and node type. FM can also handle time-series data. FM achieves generality through carefully selected topological primitives and through an implementation that leverages the potential of templated C++. FM supports fields where the nodes values are paired with any cell type. Thus FM can represent data where the field nodes are paired with the vertices ("vertex-centered" data), fields where the nodes are paired with the D-dimensional cells in R(sup D) (often called "cell-centered" data), as well as fields where nodes are paired with edges or other cell types. FM is designed to effectively handle very large data sets; in particular FM employs a demand-driven evaluation strategy that works especially well with large field data. Finally, the interfaces developed for FM have the potential to effectively abstract field data based on adaptive meshes. We present initial results with a triangular adaptive grid in R(sup 2) and discuss how the same design abstractions would work equally well with other adaptive-grid variations, including meshes in R(sup 3).
NASA Astrophysics Data System (ADS)
Rosenbaum, Joyce E.
2011-12-01
Commercial air traffic is anticipated to increase rapidly in the coming years. The impact of aviation noise on communities surrounding airports is, therefore, a growing concern. Accurate prediction of noise can help to mitigate the impact on communities and foster smoother integration of aerospace engineering advances. The problem of accurate sound level prediction requires careful inclusion of all mechanisms that affect propagation, in addition to correct source characterization. Terrain, ground type, meteorological effects, and source directivity can have a substantial influence on the noise level. Because they are difficult to model, these effects are often included only by rough approximation. This dissertation presents a model designed for sound propagation over uneven terrain, with mixed ground type and realistic meteorological conditions. The model is a hybrid of two numerical techniques: the parabolic equation (PE) and fast field program (FFP) methods, which allow for physics-based inclusion of propagation effects and ensure the low frequency content, a factor in community impact, is predicted accurately. Extension of the hybrid model to a pseudo-three-dimensional representation allows it to produce aviation noise contour maps in the standard form. In order for the model to correctly characterize aviation noise sources, a method of representing arbitrary source directivity patterns was developed for the unique form of the parabolic equation starting field. With this advancement, the model can represent broadband, directional moving sound sources, traveling along user-specified paths. This work was prepared for possible use in the research version of the sound propagation module in the Federal Aviation Administration's new standard predictive tool.
Reverse radiance: a fast accurate method for determining luminance
NASA Astrophysics Data System (ADS)
Moore, Kenneth E.; Rykowski, Ronald F.; Gangadhara, Sanjay
2012-10-01
Reverse ray tracing from a region of interest backward to the source has long been proposed as an efficient method of determining luminous flux. The idea is to trace rays only from where the final flux needs to be known back to the source, rather than tracing in the forward direction from the source outward to see where the light goes. Once the reverse ray reaches the source, the radiance the equivalent forward ray would have represented is determined and the resulting flux computed. Although reverse ray tracing is conceptually simple, the method critically depends upon an accurate source model in both the near and far field. An overly simplified source model, such as an ideal Lambertian surface substantially detracts from the accuracy and thus benefit of the method. This paper will introduce an improved method of reverse ray tracing that we call Reverse Radiance that avoids assumptions about the source properties. The new method uses measured data from a Source Imaging Goniometer (SIG) that simultaneously measures near and far field luminous data. Incorporating this data into a fast reverse ray tracing integration method yields fast, accurate data for a wide variety of illumination problems.
Metal accumulation in the earthworm Lumbricus rubellus. Model predictions compared to field data
Veltman, K.; Huijbregts, M.A.J.; Vijver, M.G.; Peijnenburg, W.J.G.M.; Hobbelen, P.H.F.; Koolhaas, J.E.; van Gestel, C.A.M.; van Vliet, P.C.J.; Jan, Hendriks A.
2007-01-01
The mechanistic bioaccumulation model OMEGA (Optimal Modeling for Ecotoxicological Applications) is used to estimate accumulation of zinc (Zn), copper (Cu), cadmium (Cd) and lead (Pb) in the earthworm Lumbricus rubellus. Our validation to field accumulation data shows that the model accurately predicts internal cadmium concentrations. In addition, our results show that internal metal concentrations in the earthworm are less than linearly (slope < 1) related to the total concentration in soil, while risk assessment procedures often assume the biota-soil accumulation factor (BSAF) to be constant. Although predicted internal concentrations of all metals are generally within a factor 5 compared to field data, incorporation of regulation in the model is necessary to improve predictability of the essential metals such as zinc and copper. ?? 2006 Elsevier Ltd. All rights reserved.
Accurate pressure gradient calculations in hydrostatic atmospheric models
NASA Technical Reports Server (NTRS)
Carroll, John J.; Mendez-Nunez, Luis R.; Tanrikulu, Saffet
1987-01-01
A method for the accurate calculation of the horizontal pressure gradient acceleration in hydrostatic atmospheric models is presented which is especially useful in situations where the isothermal surfaces are not parallel to the vertical coordinate surfaces. The present method is shown to be exact if the potential temperature lapse rate is constant between the vertical pressure integration limits. The technique is applied to both the integration of the hydrostatic equation and the computation of the slope correction term in the horizontal pressure gradient. A fixed vertical grid and a dynamic grid defined by the significant levels in the vertical temperature distribution are employed.
Haueisen, J; Ramon, C; Eiselt, M; Brauer, H; Nowak, H
1997-08-01
Modeling in magnetoencephalography (MEG) and electroencephalography (EEG) requires knowledge of the in vivo tissue resistivities of the head. The aim of this paper is to examine the influence of tissue resistivity changes on the neuromagnetic field and the electric scalp potential. A high-resolution finite element method (FEM) model (452,162 elements, 2-mm resolution) of the human head with 13 different tissue types is employed for this purpose. Our main finding was that the magnetic fields are sensitive to changes in the tissue resistivity in the vicinity of the source. In comparison, the electric surface potentials are sensitive to changes in the tissue resistivity in the vicinity of the source and in the vicinity of the position of the electrodes. The magnitude (strength) of magnetic fields and electric surface potentials is strongly influenced by tissue resistivity changes, while the topography is not as strongly influenced. Therefore, an accurate modeling of magnetic field and electric potential strength requires accurate knowledge of tissue resistivities, while for source localization procedures this knowledge might not be a necessity.
Li, Rui; Ye, Hongfei; Zhang, Weisheng; Ma, Guojun; Su, Yewang
2015-10-29
Spring constant calibration of the atomic force microscope (AFM) cantilever is of fundamental importance for quantifying the force between the AFM cantilever tip and the sample. The calibration within the framework of thin plate theory undoubtedly has a higher accuracy and broader scope than that within the well-established beam theory. However, thin plate theory-based accurate analytic determination of the constant has been perceived as an extremely difficult issue. In this paper, we implement the thin plate theory-based analytic modeling for the static behavior of rectangular AFM cantilevers, which reveals that the three-dimensional effect and Poisson effect play important roles in accurate determination of the spring constants. A quantitative scaling law is found that the normalized spring constant depends only on the Poisson's ratio, normalized dimension and normalized load coordinate. Both the literature and our refined finite element model validate the present results. The developed model is expected to serve as the benchmark for accurate calibration of rectangular AFM cantilevers.
Stress field modelling from digital geological map data
NASA Astrophysics Data System (ADS)
Albert, Gáspár; Barancsuk, Ádám; Szentpéteri, Krisztián
2016-04-01
To create a model for the lithospheric stress a functional geodatabase is required which contains spatial and geodynamic parameters. A digital structural-geological map is a geodatabase, which usually contains enough attributes to create a stress field model. Such a model is not accurate enough for engineering-geological purposes because simplifications are always present in a map, but in many cases maps are the only sources for a tectonic analysis. The here presented method is designed for field geologist, who are interested to see the possible realization of the stress field over the area, on which they are working. This study presents an application which can produce a map of 3D stress vectors from a kml-file. The core application logic is implemented on top of a spatially aware relational database management system. This allows rapid and geographically accurate analysis of the imported geological features, taking advantage of standardized spatial algorithms and indexing. After pre-processing the map features in a GIS, according to the Type-Property-Orientation naming system, which was described in a previous study (Albert et al. 2014), the first stage of the algorithm generates an irregularly spaced point cloud by emitting a pattern of points within a user-defined buffer zone around each feature. For each point generated, a component-wise approximation of the tensor field at the point's position is computed, derived from the original feature's geodynamic properties. In a second stage a weighted moving average method calculates the stress vectors in a regular grid. Results can be exported as geospatial data for further analysis or cartographic visualization. Computation of the tensor field's components is based on the implementation of the Mohr diagram of a compressional model, which uses a Coulomb fracture criterion. Using a general assumption that the main principal stress must be greater than the stress from the overburden, the differential stress is
NASA Astrophysics Data System (ADS)
Chen, Xinzhong; Lo, Chiu Fan Bowen; Zheng, William; Hu, Hai; Dai, Qing; Liu, Mengkun
2017-11-01
Over the last decade, scattering-type scanning near-field optical microscopy and spectroscopy have been widely used in nano-photonics and material research due to their fine spatial resolution and broad spectral range. A number of simplified analytical models have been proposed to quantitatively understand the tip-scattered near-field signal. However, a rigorous interpretation of the experimental results is still lacking at this stage. Numerical modelings, on the other hand, are mostly done by simulating the local electric field slightly above the sample surface, which only qualitatively represents the near-field signal rendered by the tip-sample interaction. In this work, we performed a more comprehensive numerical simulation which is based on realistic experimental parameters and signal extraction procedures. By directly comparing to the experiments as well as other simulation efforts, our methods offer a more accurate quantitative description of the near-field signal, paving the way for future studies of complex systems at the nanoscale.
Big Data Analytics for Modelling and Forecasting of Geomagnetic Field Indices
NASA Astrophysics Data System (ADS)
Wei, H. L.
2016-12-01
A massive amount of data are produced and stored in research areas of space weather and space climate. However, the value of a vast majority of the data acquired every day may not be effectively or efficiently exploited in our daily practice when we try to forecast solar wind parameters and geomagnetic field indices using these recorded measurements or digital signals, probably due to the challenges stemming from the dealing with big data which are characterized by the 4V futures: volume (a massively large amount of data), variety (a great number of different types of data), velocity (a requirement of quick processing of the data), and veracity (the trustworthiness and usability of the data). In order to obtain more reliable and accurate predictive models for geomagnetic field indices, it requires that models should be developed from the big data analytics perspective (or it at least benefits from such a perspective). This study proposes a few data-based modelling frameworks which aim to produce more efficient predictive models for space weather parameters forecasting by means of system identification and big data analytics. More specifically, it aims to build more reliable mathematical models that characterise the relationship between solar wind parameters and geomagnetic filed indices, for example the dependent relationship of Dst and Kp indices on a few solar wind parameters and magnetic field indices, namely, solar wind velocity (V), southward interplanetary magnetic field (Bs), solar wind rectified electric field (VBs), and dynamic flow pressure (P). Examples are provided to illustrate how the proposed modelling approaches are applied to Dst and Kp index prediction.
A Multiscale Red Blood Cell Model with Accurate Mechanics, Rheology, and Dynamics
Fedosov, Dmitry A.; Caswell, Bruce; Karniadakis, George Em
2010-01-01
Abstract Red blood cells (RBCs) have highly deformable viscoelastic membranes exhibiting complex rheological response and rich hydrodynamic behavior governed by special elastic and bending properties and by the external/internal fluid and membrane viscosities. We present a multiscale RBC model that is able to predict RBC mechanics, rheology, and dynamics in agreement with experiments. Based on an analytic theory, the modeled membrane properties can be uniquely related to the experimentally established RBC macroscopic properties without any adjustment of parameters. The RBC linear and nonlinear elastic deformations match those obtained in optical-tweezers experiments. The rheological properties of the membrane are compared with those obtained in optical magnetic twisting cytometry, membrane thermal fluctuations, and creep followed by cell recovery. The dynamics of RBCs in shear and Poiseuille flows is tested against experiments and theoretical predictions, and the applicability of the latter is discussed. Our findings clearly indicate that a purely elastic model for the membrane cannot accurately represent the RBC's rheological properties and its dynamics, and therefore accurate modeling of a viscoelastic membrane is necessary. PMID:20483330
Canney, Michael S.; Bailey, Michael R.; Crum, Lawrence A.; Khokhlova, Vera A.; Sapozhnikov, Oleg A.
2008-01-01
Acoustic characterization of high intensity focused ultrasound (HIFU) fields is important both for the accurate prediction of ultrasound induced bioeffects in tissues and for the development of regulatory standards for clinical HIFU devices. In this paper, a method to determine HIFU field parameters at and around the focus is proposed. Nonlinear pressure waveforms were measured and modeled in water and in a tissue-mimicking gel phantom for a 2 MHz transducer with an aperture and focal length of 4.4 cm. Measurements were performed with a fiber optic probe hydrophone at intensity levels up to 24 000 W∕cm2. The inputs to a Khokhlov–Zabolotskaya–Kuznetsov-type numerical model were determined based on experimental low amplitude beam plots. Strongly asymmetric waveforms with peak positive pressures up to 80 MPa and peak negative pressures up to 15 MPa were obtained both numerically and experimentally. Numerical simulations and experimental measurements agreed well; however, when steep shocks were present in the waveform at focal intensity levels higher than 6000 W∕cm2, lower values of the peak positive pressure were observed in the measured waveforms. This underrepresentation was attributed mainly to the limited hydrophone bandwidth of 100 MHz. It is shown that a combination of measurements and modeling is necessary to enable accurate characterization of HIFU fields. PMID:19062878
A dental vision system for accurate 3D tooth modeling.
Zhang, Li; Alemzadeh, K
2006-01-01
This paper describes an active vision system based reverse engineering approach to extract the three-dimensional (3D) geometric information from dental teeth and transfer this information into Computer-Aided Design/Computer-Aided Manufacture (CAD/CAM) systems to improve the accuracy of 3D teeth models and at the same time improve the quality of the construction units to help patient care. The vision system involves the development of a dental vision rig, edge detection, boundary tracing and fast & accurate 3D modeling from a sequence of sliced silhouettes of physical models. The rig is designed using engineering design methods such as a concept selection matrix and weighted objectives evaluation chart. Reconstruction results and accuracy evaluation are presented on digitizing different teeth models.
An algorithm for deriving core magnetic field models from the Swarm data set
NASA Astrophysics Data System (ADS)
Rother, Martin; Lesur, Vincent; Schachtschneider, Reyko
2013-11-01
In view of an optimal exploitation of the Swarm data set, we have prepared and tested software dedicated to the determination of accurate core magnetic field models and of the Euler angles between the magnetic sensors and the satellite reference frame. The dedicated core field model estimation is derived directly from the GFZ Reference Internal Magnetic Model (GRIMM) inversion and modeling family. The data selection techniques and the model parameterizations are similar to what were used for the derivation of the second (Lesur et al., 2010) and third versions of GRIMM, although the usage of observatory data is not planned in the framework of the application to Swarm. The regularization technique applied during the inversion process smoothes the magnetic field model in time. The algorithm to estimate the Euler angles is also derived from the CHAMP studies. The inversion scheme includes Euler angle determination with a quaternion representation for describing the rotations. It has been built to handle possible weak time variations of these angles. The modeling approach and software have been initially validated on a simple, noise-free, synthetic data set and on CHAMP vector magnetic field measurements. We present results of test runs applied to the synthetic Swarm test data set.
NASA Astrophysics Data System (ADS)
Sinha, Manodeep; Berlind, Andreas A.; McBride, Cameron K.; Scoccimarro, Roman; Piscionere, Jennifer A.; Wibking, Benjamin D.
2018-04-01
Interpreting the small-scale clustering of galaxies with halo models can elucidate the connection between galaxies and dark matter halos. Unfortunately, the modelling is typically not sufficiently accurate for ruling out models statistically. It is thus difficult to use the information encoded in small scales to test cosmological models or probe subtle features of the galaxy-halo connection. In this paper, we attempt to push halo modelling into the "accurate" regime with a fully numerical mock-based methodology and careful treatment of statistical and systematic errors. With our forward-modelling approach, we can incorporate clustering statistics beyond the traditional two-point statistics. We use this modelling methodology to test the standard ΛCDM + halo model against the clustering of SDSS DR7 galaxies. Specifically, we use the projected correlation function, group multiplicity function and galaxy number density as constraints. We find that while the model fits each statistic separately, it struggles to fit them simultaneously. Adding group statistics leads to a more stringent test of the model and significantly tighter constraints on model parameters. We explore the impact of varying the adopted halo definition and cosmological model and find that changing the cosmology makes a significant difference. The most successful model we tried (Planck cosmology with Mvir halos) matches the clustering of low luminosity galaxies, but exhibits a 2.3σ tension with the clustering of luminous galaxies, thus providing evidence that the "standard" halo model needs to be extended. This work opens the door to adding interesting freedom to the halo model and including additional clustering statistics as constraints.
An Optical Model for Estimating the Underwater Light Field from Remote Sensing
NASA Technical Reports Server (NTRS)
Liu, Cheng-Chien; Miller, Richard L.
2002-01-01
A model of the wavelength-integrated scalar irradiance for a vertically homogeneous water column is developed. It runs twenty thousand times faster than simulations obtained using full Hydrolight code and limits the percentage error to less than 3.7%. Both the distribution of incident sky radiance and a wind-roughened surface are integrated in the model. Our model removes common limitations of earlier models and can be applied to waters with any composition of the inherent optical properties. Implementation of this new model, as well as the ancillary information required for processing global-scale satellite data, is discussed. This new model is fast, accurate, and flexible and therefore provides important information of the underwater light field from remote sensing.
Modeling of interactions of electromagnetic fields with human bodies
NASA Astrophysics Data System (ADS)
Caputa, Krzysztof
Interactions of electromagnetic fields with the human body have been a subject of scientific interest and public concern. In recent years, issues in power line field effects and those of wireless telephones have been in the forefront of research. Engineering research compliments biological investigations by quantifying the induced fields in biological bodies due to exposure to external fields. The research presented in this thesis aims at providing reliable tools, and addressing some of the unresolved issues related to interactions with the human body of power line fields and fields produced by handheld wireless telephones. The research comprises two areas, namely development of versatile models of the human body and their visualisation, and verification and application of numerical codes to solve selected problems of interest. The models of the human body, which are based on the magnetic resonance scans of the body, are unique and differ considerably from other models currently available. With the aid of computer software developed, the models can be arranged to different postures, and medical devices can be accurately placed inside them. A previously developed code for modeling interactions of power line fields with biological bodies has been verified by rigorous, quantitative inter-laboratory comparison for two human body models. This code has been employed to model electromagnetic interference (EMI) of the magnetic field with implanted cardiac pacemakers. In this case, the correct placement and representation of the pacemaker leads are critical, as simplified computations have been shown to result in significant errors. In modeling interactions of wireless communication devices, the finite difference time domain technique (FDTD) has become a de facto standard. The previously developed code has been verified by comparison with the analytical solution for a conductive sphere. While previously researchers limited their verifications to principal axes of the sphere
Four pi calibration and modeling of a bare germanium detector in a cylindrical field source
NASA Astrophysics Data System (ADS)
Dewberry, R. A.; Young, J. E.
2012-05-01
In this paper we describe a 4π cylindrical field acquisition configuration surrounding a bare (unshielded, uncollimated) high purity germanium detector. We perform an efficiency calibration with a flexible planar source and model the configuration in the 4π cylindrical field. We then use exact calculus to model the flux on the cylindrical sides and end faces of the detector. We demonstrate that the model accurately represents the experimental detection efficiency compared to that of a point source and to Monte Carlo N-particle (MCNP) calculations of the flux. The model sums over the entire source surface area and the entire detector surface area including both faces and the detector's cylindrical sides. Agreement between the model and both experiment and the MCNP calculation is within 8%.
NASA Astrophysics Data System (ADS)
Kry, Stephen
Introduction. External beam photon radiotherapy is a common treatment for many malignancies, but results in the exposure of the patient to radiation away from the treatment site. This out-of-field radiation irradiates healthy tissue and may lead to the induction of secondary malignancies. Out-of-field radiation is composed of photons and, at high treatment energies, neutrons. Measurement of this out-of-field dose is time consuming, often difficult, and is specific to the conditions of the measurements. Monte Carlo simulations may be a viable approach to determining the out-of-field dose quickly, accurately, and for arbitrary irradiation conditions. Methods. An accelerator head, gantry, and treatment vault were modeled with MCNPX and 6 MV and 18 MV beams were simulated. Photon doses were calculated in-field and compared to measurements made with an ion chamber in a water tank. Photon doses were also calculated out-of-field from static fields and compared to measurements made with thermoluminescent dosimeters in acrylic. Neutron fluences were calculated and compared to measurements made with gold foils. Finally, photon and neutron dose equivalents were calculated in an anthropomorphic phantom following intensity-modulated radiation therapy and compared to previously published dose equivalents. Results. The Monte Carlo model was able to accurately calculate the in-field dose. From static treatment fields, the model was also able to calculate the out-of-field photon dose within 16% at 6 MV and 17% at 18 MV and the neutron fluence within 19% on average. From the simulated IMRT treatments, the calculated out-of-field photon dose was within 14% of measurement at 6 MV and 13% at 18 MV on average. The calculated neutron dose equivalent was much lower than the measured value but is likely accurate because the measured neutron dose equivalent was based on an overestimated neutron energy. Based on the calculated out-of-field doses generated by the Monte Carlo model, it was
On the stress calculation within phase-field approaches: a model for finite deformations
NASA Astrophysics Data System (ADS)
Schneider, Daniel; Schwab, Felix; Schoof, Ephraim; Reiter, Andreas; Herrmann, Christoph; Selzer, Michael; Böhlke, Thomas; Nestler, Britta
2017-08-01
Numerical simulations based on phase-field methods are indispensable in order to investigate interesting and important phenomena in the evolution of microstructures. Microscopic phase transitions are highly affected by mechanical driving forces and therefore the accurate calculation of the stresses in the transition region is essential. We present a method for stress calculations within the phase-field framework, which satisfies the mechanical jump conditions corresponding to sharp interfaces, although the sharp interface is represented as a volumetric region using the phase-field approach. This model is formulated for finite deformations, is independent of constitutive laws, and allows using any type of phase inherent inelastic strains.
NASA Astrophysics Data System (ADS)
Darbandi, Masoud; Abrar, Bagher
2018-01-01
The spectral-line weighted-sum-of-gray-gases (SLW) model is considered as a modern global model, which can be used in predicting the thermal radiation heat transfer within the combustion fields. The past SLW model users have mostly employed the reference approach to calculate the local values of gray gases' absorption coefficient. This classical reference approach assumes that the absorption spectra of gases at different thermodynamic conditions are scalable with the absorption spectrum of gas at a reference thermodynamic state in the domain. However, this assumption cannot be reasonable in combustion fields, where the gas temperature is very different from the reference temperature. Consequently, the results of SLW model incorporated with the classical reference approach, say the classical SLW method, are highly sensitive to the reference temperature magnitude in non-isothermal combustion fields. To lessen this sensitivity, the current work combines the SLW model with a modified reference approach, which is a particular one among the eight possible reference approach forms reported recently by Solovjov, et al. [DOI: 10.1016/j.jqsrt.2017.01.034, 2017]. The combination is called "modified SLW method". This work shows that the modified reference approach can provide more accurate total emissivity calculation than the classical reference approach if it is coupled with the SLW method. This would be particularly helpful for more accurate calculation of radiation transfer in highly non-isothermal combustion fields. To approve this, we use both the classical and modified SLW methods and calculate the radiation transfer in such fields. It is shown that the modified SLW method can almost eliminate the sensitivity of achieved results to the chosen reference temperature in treating highly non-isothermal combustion fields.
Accurate modeling of high-repetition rate ultrashort pulse amplification in optical fibers
Lindberg, Robert; Zeil, Peter; Malmström, Mikael; Laurell, Fredrik; Pasiskevicius, Valdas
2016-01-01
A numerical model for amplification of ultrashort pulses with high repetition rates in fiber amplifiers is presented. The pulse propagation is modeled by jointly solving the steady-state rate equations and the generalized nonlinear Schrödinger equation, which allows accurate treatment of nonlinear and dispersive effects whilst considering arbitrary spatial and spectral gain dependencies. Comparison of data acquired by using the developed model and experimental results prove to be in good agreement. PMID:27713496
NASA Astrophysics Data System (ADS)
Haupt, Sue Ellen; Beyer-Lout, Anke; Long, Kerrie J.; Young, George S.
Assimilating concentration data into an atmospheric transport and dispersion model can provide information to improve downwind concentration forecasts. The forecast model is typically a one-way coupled set of equations: the meteorological equations impact the concentration, but the concentration does not generally affect the meteorological field. Thus, indirect methods of using concentration data to influence the meteorological variables are required. The problem studied here involves a simple wind field forcing Gaussian dispersion. Two methods of assimilating concentration data to infer the wind direction are demonstrated. The first method is Lagrangian in nature and treats the puff as an entity using feature extraction coupled with nudging. The second method is an Eulerian field approach akin to traditional variational approaches, but minimizes the error by using a genetic algorithm (GA) to directly optimize the match between observations and predictions. Both methods show success at inferring the wind field. The GA-variational method, however, is more accurate but requires more computational time. Dynamic assimilation of a continuous release modeled by a Gaussian plume is also demonstrated using the genetic algorithm approach.
Quench Modeling in High-field Nb3Sn Accelerator Magnets
NASA Astrophysics Data System (ADS)
Bermudez, S. Izquierdo; Bajas, H.; Bottura, L.
The development of high-field magnets is on-going in the framework of the LHC luminosity upgrade. The resulting peak field, in the range of 12 T to 13 T, requires the use Nb3Sn as superconductor. Due to the high stored energy density (compact winding for cost reduction) and the low stabilizer fraction (to achieve the desired margins), quench protection becomes a challenging problem. Accurate simulation of quench transientsin these magnets is hence crucial to the design choices, the definition of priority R&D and to prove that the magnets are fit for operation. In this paper we focus on the modelling of quench initiation and propagation, we describe approaches that are suitable for magnet simulation, and we compare numerical results with available experimental data.
NASA Astrophysics Data System (ADS)
Zhang, Zhen; Xia, Changliang; Yan, Yan; Geng, Qiang; Shi, Tingna
2017-08-01
Due to the complicated rotor structure and nonlinear saturation of rotor bridges, it is difficult to build a fast and accurate analytical field calculation model for multilayer interior permanent magnet (IPM) machines. In this paper, a hybrid analytical model suitable for the open-circuit field calculation of multilayer IPM machines is proposed by coupling the magnetic equivalent circuit (MEC) method and the subdomain technique. In the proposed analytical model, the rotor magnetic field is calculated by the MEC method based on the Kirchhoff's law, while the field in the stator slot, slot opening and air-gap is calculated by subdomain technique based on the Maxwell's equation. To solve the whole field distribution of the multilayer IPM machines, the coupled boundary conditions on the rotor surface are deduced for the coupling of the rotor MEC and the analytical field distribution of the stator slot, slot opening and air-gap. The hybrid analytical model can be used to calculate the open-circuit air-gap field distribution, back electromotive force (EMF) and cogging torque of multilayer IPM machines. Compared with finite element analysis (FEA), it has the advantages of faster modeling, less computation source occupying and shorter time consuming, and meanwhile achieves the approximate accuracy. The analytical model is helpful and applicable for the open-circuit field calculation of multilayer IPM machines with any size and pole/slot number combination.
NASA Astrophysics Data System (ADS)
Sinha, Manodeep; Berlind, Andreas A.; McBride, Cameron K.; Scoccimarro, Roman; Piscionere, Jennifer A.; Wibking, Benjamin D.
2018-07-01
Interpreting the small-scale clustering of galaxies with halo models can elucidate the connection between galaxies and dark matter haloes. Unfortunately, the modelling is typically not sufficiently accurate for ruling out models statistically. It is thus difficult to use the information encoded in small scales to test cosmological models or probe subtle features of the galaxy-halo connection. In this paper, we attempt to push halo modelling into the `accurate' regime with a fully numerical mock-based methodology and careful treatment of statistical and systematic errors. With our forward-modelling approach, we can incorporate clustering statistics beyond the traditional two-point statistics. We use this modelling methodology to test the standard Λ cold dark matter (ΛCDM) + halo model against the clustering of Sloan Digital Sky Survey (SDSS) seventh data release (DR7) galaxies. Specifically, we use the projected correlation function, group multiplicity function, and galaxy number density as constraints. We find that while the model fits each statistic separately, it struggles to fit them simultaneously. Adding group statistics leads to a more stringent test of the model and significantly tighter constraints on model parameters. We explore the impact of varying the adopted halo definition and cosmological model and find that changing the cosmology makes a significant difference. The most successful model we tried (Planck cosmology with Mvir haloes) matches the clustering of low-luminosity galaxies, but exhibits a 2.3σ tension with the clustering of luminous galaxies, thus providing evidence that the `standard' halo model needs to be extended. This work opens the door to adding interesting freedom to the halo model and including additional clustering statistics as constraints.
A multiscale red blood cell model with accurate mechanics, rheology, and dynamics.
Fedosov, Dmitry A; Caswell, Bruce; Karniadakis, George Em
2010-05-19
Red blood cells (RBCs) have highly deformable viscoelastic membranes exhibiting complex rheological response and rich hydrodynamic behavior governed by special elastic and bending properties and by the external/internal fluid and membrane viscosities. We present a multiscale RBC model that is able to predict RBC mechanics, rheology, and dynamics in agreement with experiments. Based on an analytic theory, the modeled membrane properties can be uniquely related to the experimentally established RBC macroscopic properties without any adjustment of parameters. The RBC linear and nonlinear elastic deformations match those obtained in optical-tweezers experiments. The rheological properties of the membrane are compared with those obtained in optical magnetic twisting cytometry, membrane thermal fluctuations, and creep followed by cell recovery. The dynamics of RBCs in shear and Poiseuille flows is tested against experiments and theoretical predictions, and the applicability of the latter is discussed. Our findings clearly indicate that a purely elastic model for the membrane cannot accurately represent the RBC's rheological properties and its dynamics, and therefore accurate modeling of a viscoelastic membrane is necessary. Copyright 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.
A comparison of satellite systems for gravity field measurements
NASA Technical Reports Server (NTRS)
Argentiero, P. D.; Lowrey, B. E.
1977-01-01
A detailed and accurate earth gravity field model is important to the understanding of the structure and composition of the earth's crust and upper mantle. Various satellite-based techniques for providing more accurate models of the gravity field are analyzed and compared. A high-low configuration satellite-to-satellite tracking mission is recommended for the determination of both the long wavelength and short wavelength portions of the field. Satellite altimetry and satellite gradiometry missions are recommended for determination of the short wavelength portion of the field.
Viscoacoustic model for near-field ultrasonic levitation.
Melikhov, Ivan; Chivilikhin, Sergey; Amosov, Alexey; Jeanson, Romain
2016-11-01
Ultrasonic near-field levitation allows for contactless support and transportation of an object over vibrating surface. We developed an accurate model predicting pressure distribution in the gap between the surface and levitating object. The formulation covers a wide range of the air flow regimes: from viscous squeezed flow dominating in small gap to acoustic wave propagation in larger gap. The paper explains derivation of the governing equations from the basic fluid dynamics. The nonreflective boundary conditions were developed to properly define air flow at the outlet. Comparing to direct computational fluid dynamics modeling our approach allows achieving good accuracy while keeping the computation cost low. Using the model we studied the levitation force as a function of gap distance. It was shown that there are three distinguished flow regimes: purely viscous, viscoacoustic, and acoustic. The regimes are defined by the balance of viscous and inertial forces. In the viscous regime the pressure in the gap is close to uniform while in the intermediate viscoacoustic and the acoustic regimes the pressure profile is wavy. The model was validated by a dedicated levitation experiment and compared to similar published results.
Viscoacoustic model for near-field ultrasonic levitation
NASA Astrophysics Data System (ADS)
Melikhov, Ivan; Chivilikhin, Sergey; Amosov, Alexey; Jeanson, Romain
2016-11-01
Ultrasonic near-field levitation allows for contactless support and transportation of an object over vibrating surface. We developed an accurate model predicting pressure distribution in the gap between the surface and levitating object. The formulation covers a wide range of the air flow regimes: from viscous squeezed flow dominating in small gap to acoustic wave propagation in larger gap. The paper explains derivation of the governing equations from the basic fluid dynamics. The nonreflective boundary conditions were developed to properly define air flow at the outlet. Comparing to direct computational fluid dynamics modeling our approach allows achieving good accuracy while keeping the computation cost low. Using the model we studied the levitation force as a function of gap distance. It was shown that there are three distinguished flow regimes: purely viscous, viscoacoustic, and acoustic. The regimes are defined by the balance of viscous and inertial forces. In the viscous regime the pressure in the gap is close to uniform while in the intermediate viscoacoustic and the acoustic regimes the pressure profile is wavy. The model was validated by a dedicated levitation experiment and compared to similar published results.
A Low-Cost Approach to Automatically Obtain Accurate 3D Models of Woody Crops.
Bengochea-Guevara, José M; Andújar, Dionisio; Sanchez-Sardana, Francisco L; Cantuña, Karla; Ribeiro, Angela
2017-12-24
Crop monitoring is an essential practice within the field of precision agriculture since it is based on observing, measuring and properly responding to inter- and intra-field variability. In particular, "on ground crop inspection" potentially allows early detection of certain crop problems or precision treatment to be carried out simultaneously with pest detection. "On ground monitoring" is also of great interest for woody crops. This paper explores the development of a low-cost crop monitoring system that can automatically create accurate 3D models (clouds of coloured points) of woody crop rows. The system consists of a mobile platform that allows the easy acquisition of information in the field at an average speed of 3 km/h. The platform, among others, integrates an RGB-D sensor that provides RGB information as well as an array with the distances to the objects closest to the sensor. The RGB-D information plus the geographical positions of relevant points, such as the starting and the ending points of the row, allow the generation of a 3D reconstruction of a woody crop row in which all the points of the cloud have a geographical location as well as the RGB colour values. The proposed approach for the automatic 3D reconstruction is not limited by the size of the sampled space and includes a method for the removal of the drift that appears in the reconstruction of large crop rows.
A Low-Cost Approach to Automatically Obtain Accurate 3D Models of Woody Crops
Andújar, Dionisio; Sanchez-Sardana, Francisco L.; Cantuña, Karla
2017-01-01
Crop monitoring is an essential practice within the field of precision agriculture since it is based on observing, measuring and properly responding to inter- and intra-field variability. In particular, “on ground crop inspection” potentially allows early detection of certain crop problems or precision treatment to be carried out simultaneously with pest detection. “On ground monitoring” is also of great interest for woody crops. This paper explores the development of a low-cost crop monitoring system that can automatically create accurate 3D models (clouds of coloured points) of woody crop rows. The system consists of a mobile platform that allows the easy acquisition of information in the field at an average speed of 3 km/h. The platform, among others, integrates an RGB-D sensor that provides RGB information as well as an array with the distances to the objects closest to the sensor. The RGB-D information plus the geographical positions of relevant points, such as the starting and the ending points of the row, allow the generation of a 3D reconstruction of a woody crop row in which all the points of the cloud have a geographical location as well as the RGB colour values. The proposed approach for the automatic 3D reconstruction is not limited by the size of the sampled space and includes a method for the removal of the drift that appears in the reconstruction of large crop rows. PMID:29295536
NASA Astrophysics Data System (ADS)
Yang, J.; Yi, S.; Sun, W.
2016-12-01
Signification displacements caused by the 2011 Tohoku-Oki earthquake (Mw9.0) can be detected by GPS observations on the north and northeast of Asian continent which comes from Crustal Movement Observation Network of China (CMONOC). Obviously horizontal displacement which can be detected with many GPS stations reaches to almost 3cm and 2cm and most of those extend eastward pointing to the epicenter of this earthquake. Those data can be acquired rapidly after the earthquake from CMONOC. Here, we will discuss how to calculate the seismic moment with those far-field GPS observations. The far field displacement can constrain the pattern of finite slip model and seismic moment using spherically stratified Earth model (PREM). We give a general rule of thumb to show how far-field GPS observations are affected by the earthquake parameters. In the worldwide, after 1990 there are 27 large earthquakes (the magnitude more than Mw 8.0) which most are subduction types with low rake angle. Their far-field GPS observations are mainly controlled by the component of Y22. Far-field GPS observations are potential to constrain one or two components of the focal mechanisms. When we joint far-field and near-field GPS data to get the 2011 Tohoku-Oki earthquake, we can get a more accurately finite slip model. The article shows a new mothed using far-field GPS data to constrain the fault slip model.
Electromagnetic field generated in model of human head by simplified telephone transceiver
NASA Astrophysics Data System (ADS)
King, Ronold W. P.
1995-01-01
Possible adverse effects of electromagnetic fields on the human body and especially on the nervous system and the brain are of increasing concern, particularly with reference to cellular telephone transceivers held close to the head. An essential step in the study of this problem is the accurate determination of the complete electromagnetic field penetrating through the skull into the brain. Simple analytical formulas are derived from the theory of the horizontal electric dipole over a layered region. These give the components of the electric and magnetic fields on the air-head surface, in the skin-skull layer, and throughout the brain in terms of a planar model with the dimensions and average electrical properties of the human head. The specific absorption rate (SAR) is also determined.
NASA Astrophysics Data System (ADS)
Yue, Donghui; Ji, Tingting; Qin, Tianru; Wang, Jia; Liu, Cailong; Jiao, Hui; Zhao, Lin; Han, Yonghao; Gao, Chunxiao
2018-02-01
The study on the thermal transport properties of matter under high pressure is important but is hard to fulfill in a diamond anvil cell (DAC) because the accurate measurement of the temperature gradient within the sample of DAC is very difficult. In most cases, the sample temperature can be read accurately from the thermocouples that are directly attached to the lateral edges of diamond anvils because both the sample and diamond anvils can be uniformly heated up to a given temperature. But for the thermal transport property studies in DAC, an artificial temperature distribution along the compression axis is a prerequisite. Obviously, the temperature of the top or bottom surface of the sample cannot be substituted by that of diamond anvils although diamond anvils can be considered as a good medium for heat conduction. With temperature field simulation by finite element analysis, it is found that big measurement errors can occur and are fatal to the correct analysis of thermal transport properties of materials. Thus, a method of combining both the four-thermocouple configuration and temperature field analysis is presented for the accurate temperature distribution measurement in DAC, which is based on the single-function relationship between temperature distribution and sample thermal conductivity.
Accurate Energy Consumption Modeling of IEEE 802.15.4e TSCH Using Dual-BandOpenMote Hardware.
Daneels, Glenn; Municio, Esteban; Van de Velde, Bruno; Ergeerts, Glenn; Weyn, Maarten; Latré, Steven; Famaey, Jeroen
2018-02-02
The Time-Slotted Channel Hopping (TSCH) mode of the IEEE 802.15.4e amendment aims to improve reliability and energy efficiency in industrial and other challenging Internet-of-Things (IoT) environments. This paper presents an accurate and up-to-date energy consumption model for devices using this IEEE 802.15.4e TSCH mode. The model identifies all network-related CPU and radio state changes, thus providing a precise representation of the device behavior and an accurate prediction of its energy consumption. Moreover, energy measurements were performed with a dual-band OpenMote device, running the OpenWSN firmware. This allows the model to be used for devices using 2.4 GHz, as well as 868 MHz. Using these measurements, several network simulations were conducted to observe the TSCH energy consumption effects in end-to-end communication for both frequency bands. Experimental verification of the model shows that it accurately models the consumption for all possible packet sizes and that the calculated consumption on average differs less than 3% from the measured consumption. This deviation includes measurement inaccuracies and the variations of the guard time. As such, the proposed model is very suitable for accurate energy consumption modeling of TSCH networks.
Accurate Energy Consumption Modeling of IEEE 802.15.4e TSCH Using Dual-BandOpenMote Hardware
Municio, Esteban; Van de Velde, Bruno; Latré, Steven
2018-01-01
The Time-Slotted Channel Hopping (TSCH) mode of the IEEE 802.15.4e amendment aims to improve reliability and energy efficiency in industrial and other challenging Internet-of-Things (IoT) environments. This paper presents an accurate and up-to-date energy consumption model for devices using this IEEE 802.15.4e TSCH mode. The model identifies all network-related CPU and radio state changes, thus providing a precise representation of the device behavior and an accurate prediction of its energy consumption. Moreover, energy measurements were performed with a dual-band OpenMote device, running the OpenWSN firmware. This allows the model to be used for devices using 2.4 GHz, as well as 868 MHz. Using these measurements, several network simulations were conducted to observe the TSCH energy consumption effects in end-to-end communication for both frequency bands. Experimental verification of the model shows that it accurately models the consumption for all possible packet sizes and that the calculated consumption on average differs less than 3% from the measured consumption. This deviation includes measurement inaccuracies and the variations of the guard time. As such, the proposed model is very suitable for accurate energy consumption modeling of TSCH networks. PMID:29393900
Magnetic field line random walk in models and simulations of reduced magnetohydrodynamic turbulence
DOE Office of Scientific and Technical Information (OSTI.GOV)
Snodin, A. P.; Ruffolo, D.; Oughton, S.
2013-12-10
The random walk of magnetic field lines is examined numerically and analytically in the context of reduced magnetohydrodynamic (RMHD) turbulence, which provides a useful description of plasmas dominated by a strong mean field, such as in the solar corona. A recently developed non-perturbative theory of magnetic field line diffusion is compared with the diffusion coefficients obtained by accurate numerical tracing of magnetic field lines for both synthetic models and direct numerical simulations of RMHD. Statistical analysis of an ensemble of trajectories confirms the applicability of the theory, which very closely matches the numerical field line diffusion coefficient as a functionmore » of distance z along the mean magnetic field for a wide range of the Kubo number R. This theory employs Corrsin's independence hypothesis, sometimes thought to be valid only at low R. However, the results demonstrate that it works well up to R = 10, both for a synthetic RMHD model and an RMHD simulation. The numerical results from the RMHD simulation are compared with and without phase randomization, demonstrating a clear effect of coherent structures on the field line random walk for a very low Kubo number.« less
Macroion solutions in the cell model studied by field theory and Monte Carlo simulations.
Lue, Leo; Linse, Per
2011-12-14
Aqueous solutions of charged spherical macroions with variable dielectric permittivity and their associated counterions are examined within the cell model using a field theory and Monte Carlo simulations. The field theory is based on separation of fields into short- and long-wavelength terms, which are subjected to different statistical-mechanical treatments. The simulations were performed by using a new, accurate, and fast algorithm for numerical evaluation of the electrostatic polarization interaction. The field theory provides counterion distributions outside a macroion in good agreement with the simulation results over the full range from weak to strong electrostatic coupling. A low-dielectric macroion leads to a displacement of the counterions away from the macroion. © 2011 American Institute of Physics
Simple Mathematical Models Do Not Accurately Predict Early SIV Dynamics
Noecker, Cecilia; Schaefer, Krista; Zaccheo, Kelly; Yang, Yiding; Day, Judy; Ganusov, Vitaly V.
2015-01-01
Upon infection of a new host, human immunodeficiency virus (HIV) replicates in the mucosal tissues and is generally undetectable in circulation for 1–2 weeks post-infection. Several interventions against HIV including vaccines and antiretroviral prophylaxis target virus replication at this earliest stage of infection. Mathematical models have been used to understand how HIV spreads from mucosal tissues systemically and what impact vaccination and/or antiretroviral prophylaxis has on viral eradication. Because predictions of such models have been rarely compared to experimental data, it remains unclear which processes included in these models are critical for predicting early HIV dynamics. Here we modified the “standard” mathematical model of HIV infection to include two populations of infected cells: cells that are actively producing the virus and cells that are transitioning into virus production mode. We evaluated the effects of several poorly known parameters on infection outcomes in this model and compared model predictions to experimental data on infection of non-human primates with variable doses of simian immunodifficiency virus (SIV). First, we found that the mode of virus production by infected cells (budding vs. bursting) has a minimal impact on the early virus dynamics for a wide range of model parameters, as long as the parameters are constrained to provide the observed rate of SIV load increase in the blood of infected animals. Interestingly and in contrast with previous results, we found that the bursting mode of virus production generally results in a higher probability of viral extinction than the budding mode of virus production. Second, this mathematical model was not able to accurately describe the change in experimentally determined probability of host infection with increasing viral doses. Third and finally, the model was also unable to accurately explain the decline in the time to virus detection with increasing viral dose. These results
Accurate Cold-Test Model of Helical TWT Slow-Wave Circuits
NASA Technical Reports Server (NTRS)
Kory, Carol L.; Dayton, James A., Jr.
1997-01-01
Recently, a method has been established to accurately calculate cold-test data for helical slow-wave structures using the three-dimensional electromagnetic computer code, MAFIA. Cold-test parameters have been calculated for several helical traveling-wave tube (TWT) slow-wave circuits possessing various support rod configurations, and results are presented here showing excellent agreement with experiment. The helical models include tape thickness, dielectric support shapes and material properties consistent with the actual circuits. The cold-test data from this helical model can be used as input into large-signal helical TWT interaction codes making it possible, for the first time, to design a complete TWT via computer simulation.
Stochastic-field cavitation model
NASA Astrophysics Data System (ADS)
Dumond, J.; Magagnato, F.; Class, A.
2013-07-01
Nonlinear phenomena can often be well described using probability density functions (pdf) and pdf transport models. Traditionally, the simulation of pdf transport requires Monte-Carlo codes based on Lagrangian "particles" or prescribed pdf assumptions including binning techniques. Recently, in the field of combustion, a novel formulation called the stochastic-field method solving pdf transport based on Eulerian fields has been proposed which eliminates the necessity to mix Eulerian and Lagrangian techniques or prescribed pdf assumptions. In the present work, for the first time the stochastic-field method is applied to multi-phase flow and, in particular, to cavitating flow. To validate the proposed stochastic-field cavitation model, two applications are considered. First, sheet cavitation is simulated in a Venturi-type nozzle. The second application is an innovative fluidic diode which exhibits coolant flashing. Agreement with experimental results is obtained for both applications with a fixed set of model constants. The stochastic-field cavitation model captures the wide range of pdf shapes present at different locations.
Effective field model of roughness in magnetic nano-structures
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lepadatu, Serban, E-mail: SLepadatu@uclan.ac.uk
2015-12-28
An effective field model is introduced here within the micromagnetics formulation, to study roughness in magnetic structures, by considering sub-exchange length roughness levels as a perturbation on a smooth structure. This allows the roughness contribution to be separated, which is found to give rise to an effective configurational anisotropy for both edge and surface roughness, and accurately model its effects with fine control over the roughness depth without the explicit need to refine the computational cell size to accommodate the roughness profile. The model is validated by comparisons with directly roughened structures for a series of magnetization switching and domainmore » wall velocity simulations and found to be in excellent agreement for roughness levels up to the exchange length. The model is further applied to vortex domain wall velocity simulations with surface roughness, which is shown to significantly modify domain wall movement and result in dynamic pinning and stochastic creep effects.« less
Generating Facial Expressions Using an Anatomically Accurate Biomechanical Model.
Wu, Tim; Hung, Alice; Mithraratne, Kumar
2014-11-01
This paper presents a computational framework for modelling the biomechanics of human facial expressions. A detailed high-order (Cubic-Hermite) finite element model of the human head was constructed using anatomical data segmented from magnetic resonance images. The model includes a superficial soft-tissue continuum consisting of skin, the subcutaneous layer and the superficial Musculo-Aponeurotic system. Embedded within this continuum mesh, are 20 pairs of facial muscles which drive facial expressions. These muscles were treated as transversely-isotropic and their anatomical geometries and fibre orientations were accurately depicted. In order to capture the relative composition of muscles and fat, material heterogeneity was also introduced into the model. Complex contact interactions between the lips, eyelids, and between superficial soft tissue continuum and deep rigid skeletal bones were also computed. In addition, this paper investigates the impact of incorporating material heterogeneity and contact interactions, which are often neglected in similar studies. Four facial expressions were simulated using the developed model and the results were compared with surface data obtained from a 3D structured-light scanner. Predicted expressions showed good agreement with the experimental data.
Lithospheric magnetic field modelling of the African continent
NASA Astrophysics Data System (ADS)
Hemant, K.; Maus, S.
2003-04-01
New magnetic satellite missions in low-earth orbit are providing increasingly accurate maps of the lithospheric magnetic field. These maps can be used to infer the geological structure of regions hidden by Phanerozoic cover, taking into account our knowledge of crustal structure from surface geology and seismic methods. A GIS based modelling technique has been developed to model the various geological units of the continents using the UNESCO geological map of the world, supported by background geological information from various sources. Geological units of each region are assigned a susceptibility value based on laboratory values of the constituent rock types. Then, using the 3SMAC seismic crustal structure, a vertically integrated susceptibility (VIS) model is computed at each point of the region. Starting with this VIS model, the total field anomaly is computed at an altitude of 400 km and compared with the MF2 lithospheric magnetic field model derived from CHAMP data. The modelling results of the Precambrian units of the West African cratons agree well with MF2. The anomaly in the Central African cratonic region also correlates well, although part of it is unaccounted for as yet. Furthermore, the anomalies over the Tanzanian craton and surrounding region agree very well. Most of the regions around the South African cratons are hidden by Phanerozoic cover, yet the results above the Kaapvaal craton and the southern Zimbabwe craton around the Limpopo belt show good correspondence with the observed anomaly map. The results also suggest a probable extension of the Precambrian units below the sediments of younger age. In general, the lower crust is likely to be more mafic than presumed in our current understanding of Central Africa. Deviations in the magnitude of the anomalies in some regions are likely to be due to incomplete seismic information in those regions. Thus, the thickness of crustal layers derived from magnetic anomalies for these locations may help to
Accurate ab initio Quartic Force Fields of Cyclic and Bent HC2N Isomers
NASA Technical Reports Server (NTRS)
Inostroza, Natalia; Huang, Xinchuan; Lee, Timothy J.
2012-01-01
Highly correlated ab initio quartic force field (QFFs) are used to calculate the equilibrium structures and predict the spectroscopic parameters of three HC2N isomers. Specifically, the ground state quasilinear triplet and the lowest cyclic and bent singlet isomers are included in the present study. Extensive treatment of correlation effects were included using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, denoted CCSD(T). Dunning s correlation-consistent basis sets cc-pVXZ, X=3,4,5, were used, and a three-point formula for extrapolation to the one-particle basis set limit was used. Core-correlation and scalar relativistic corrections were also included to yield highly accurate QFFs. The QFFs were used together with second-order perturbation theory (with proper treatment of Fermi resonances) and variational methods to solve the nuclear Schr dinger equation. The quasilinear nature of the triplet isomer is problematic, and it is concluded that a QFF is not adequate to describe properly all of the fundamental vibrational frequencies and spectroscopic constants (though some constants not dependent on the bending motion are well reproduced by perturbation theory). On the other hand, this procedure (a QFF together with either perturbation theory or variational methods) leads to highly accurate fundamental vibrational frequencies and spectroscopic constants for the cyclic and bent singlet isomers of HC2N. All three isomers possess significant dipole moments, 3.05D, 3.06D, and 1.71D, for the quasilinear triplet, the cyclic singlet, and the bent singlet isomers, respectively. It is concluded that the spectroscopic constants determined for the cyclic and bent singlet isomers are the most accurate available, and it is hoped that these will be useful in the interpretation of high-resolution astronomical observations or laboratory experiments.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wood, Brian D.
2013-11-04
Biogeochemical reactive transport processes in the subsurface environment are important to many contemporary environmental issues of significance to DOE. Quantification of risks and impacts associated with environmental management options, and design of remediation systems where needed, require that we have at our disposal reliable predictive tools (usually in the form of numerical simulation models). However, it is well known that even the most sophisticated reactive transport models available today have poor predictive power, particularly when applied at the field scale. Although the lack of predictive ability is associated in part with our inability to characterize the subsurface and limitations inmore » computational power, significant advances have been made in both of these areas in recent decades and can be expected to continue. In this research, we examined the upscaling (pore to Darcy and Darcy to field) the problem of bioremediation via biofilms in porous media. The principle idea was to start with a conceptual description of the bioremediation process at the pore scale, and apply upscaling methods to formally develop the appropriate upscaled model at the so-called Darcy scale. The purpose was to determine (1) what forms the upscaled models would take, and (2) how one might parameterize such upscaled models for applications to bioremediation in the field. We were able to effectively upscale the bioremediation process to explain how the pore-scale phenomena were linked to the field scale. The end product of this research was to produce a set of upscaled models that could be used to help predict field-scale bioremediation. These models were mechanistic, in the sense that they directly incorporated pore-scale information, but upscaled so that only the essential features of the process were needed to predict the effective parameters that appear in the model. In this way, a direct link between the microscale and the field scale was made, but the upscaling
Korth, Haje; Tsyganenko, Nikolai A; Johnson, Catherine L; Philpott, Lydia C; Anderson, Brian J; Al Asad, Manar M; Solomon, Sean C; McNutt, Ralph L
2015-06-01
Accurate knowledge of Mercury's magnetospheric magnetic field is required to understand the sources of the planet's internal field. We present the first model of Mercury's magnetospheric magnetic field confined within a magnetopause shape derived from Magnetometer observations by the MErcury Surface, Space ENvironment, GEochemistry, and Ranging spacecraft. The field of internal origin is approximated by a dipole of magnitude 190 nT R M 3 , where R M is Mercury's radius, offset northward by 479 km along the spin axis. External field sources include currents flowing on the magnetopause boundary and in the cross-tail current sheet. The cross-tail current is described by a disk-shaped current near the planet and a sheet current at larger (≳ 5 R M ) antisunward distances. The tail currents are constrained by minimizing the root-mean-square (RMS) residual between the model and the magnetic field observed within the magnetosphere. The magnetopause current contributions are derived by shielding the field of each module external to the magnetopause by minimizing the RMS normal component of the magnetic field at the magnetopause. The new model yields improvements over the previously developed paraboloid model in regions that are close to the magnetopause and the nightside magnetic equatorial plane. Magnetic field residuals remain that are distributed systematically over large areas and vary monotonically with magnetic activity. Further advances in empirical descriptions of Mercury's magnetospheric external field will need to account for the dependence of the tail and magnetopause currents on magnetic activity and additional sources within the magnetosphere associated with Birkeland currents and plasma distributions near the dayside magnetopause.
Tsyganenko, Nikolai A.; Johnson, Catherine L.; Philpott, Lydia C.; Anderson, Brian J.; Al Asad, Manar M.; Solomon, Sean C.; McNutt, Ralph L.
2015-01-01
Abstract Accurate knowledge of Mercury's magnetospheric magnetic field is required to understand the sources of the planet's internal field. We present the first model of Mercury's magnetospheric magnetic field confined within a magnetopause shape derived from Magnetometer observations by the MErcury Surface, Space ENvironment, GEochemistry, and Ranging spacecraft. The field of internal origin is approximated by a dipole of magnitude 190 nT RM 3, where RM is Mercury's radius, offset northward by 479 km along the spin axis. External field sources include currents flowing on the magnetopause boundary and in the cross‐tail current sheet. The cross‐tail current is described by a disk‐shaped current near the planet and a sheet current at larger (≳ 5 RM) antisunward distances. The tail currents are constrained by minimizing the root‐mean‐square (RMS) residual between the model and the magnetic field observed within the magnetosphere. The magnetopause current contributions are derived by shielding the field of each module external to the magnetopause by minimizing the RMS normal component of the magnetic field at the magnetopause. The new model yields improvements over the previously developed paraboloid model in regions that are close to the magnetopause and the nightside magnetic equatorial plane. Magnetic field residuals remain that are distributed systematically over large areas and vary monotonically with magnetic activity. Further advances in empirical descriptions of Mercury's magnetospheric external field will need to account for the dependence of the tail and magnetopause currents on magnetic activity and additional sources within the magnetosphere associated with Birkeland currents and plasma distributions near the dayside magnetopause. PMID:27656335
NASA Astrophysics Data System (ADS)
Berger, Lukas; Kleinheinz, Konstantin; Attili, Antonio; Bisetti, Fabrizio; Pitsch, Heinz; Mueller, Michael E.
2018-05-01
Modelling unclosed terms in partial differential equations typically involves two steps: First, a set of known quantities needs to be specified as input parameters for a model, and second, a specific functional form needs to be defined to model the unclosed terms by the input parameters. Both steps involve a certain modelling error, with the former known as the irreducible error and the latter referred to as the functional error. Typically, only the total modelling error, which is the sum of functional and irreducible error, is assessed, but the concept of the optimal estimator enables the separate analysis of the total and the irreducible errors, yielding a systematic modelling error decomposition. In this work, attention is paid to the techniques themselves required for the practical computation of irreducible errors. Typically, histograms are used for optimal estimator analyses, but this technique is found to add a non-negligible spurious contribution to the irreducible error if models with multiple input parameters are assessed. Thus, the error decomposition of an optimal estimator analysis becomes inaccurate, and misleading conclusions concerning modelling errors may be drawn. In this work, numerically accurate techniques for optimal estimator analyses are identified and a suitable evaluation of irreducible errors is presented. Four different computational techniques are considered: a histogram technique, artificial neural networks, multivariate adaptive regression splines, and an additive model based on a kernel method. For multiple input parameter models, only artificial neural networks and multivariate adaptive regression splines are found to yield satisfactorily accurate results. Beyond a certain number of input parameters, the assessment of models in an optimal estimator analysis even becomes practically infeasible if histograms are used. The optimal estimator analysis in this paper is applied to modelling the filtered soot intermittency in large eddy
NASA Astrophysics Data System (ADS)
Infantino, Angelo; Marengo, Mario; Baschetti, Serafina; Cicoria, Gianfranco; Longo Vaschetto, Vittorio; Lucconi, Giulia; Massucci, Piera; Vichi, Sara; Zagni, Federico; Mostacci, Domiziano
2015-11-01
Biomedical cyclotrons for production of Positron Emission Tomography (PET) radionuclides and radiotherapy with hadrons or ions are widely diffused and established in hospitals as well as in industrial facilities and research sites. Guidelines for site planning and installation, as well as for radiation protection assessment, are given in a number of international documents; however, these well-established guides typically offer analytic methods of calculation of both shielding and materials activation, in approximate or idealized geometry set up. The availability of Monte Carlo codes with accurate and up-to-date libraries for transport and interactions of neutrons and charged particles at energies below 250 MeV, together with the continuously increasing power of nowadays computers, makes systematic use of simulations with realistic geometries possible, yielding equipment and site specific evaluation of the source terms, shielding requirements and all quantities relevant to radiation protection. In this work, the well-known Monte Carlo code FLUKA was used to simulate two representative models of cyclotron for PET radionuclides production, including their targetry; and one type of proton therapy cyclotron including the energy selection system. Simulations yield estimates of various quantities of radiological interest, including the effective dose distribution around the equipment, the effective number of neutron produced per incident proton and the activation of target materials, the structure of the cyclotron, the energy degrader, the vault walls and the soil. The model was validated against experimental measurements and comparison with well-established reference data. Neutron ambient dose equivalent H*(10) was measured around a GE PETtrace cyclotron: an average ratio between experimental measurement and simulations of 0.99±0.07 was found. Saturation yield of 18F, produced by the well-known 18O(p,n)18F reaction, was calculated and compared with the IAEA recommended
NASA Astrophysics Data System (ADS)
Zhao, Pengcheng; Guo, Lixin; Shu, Panpan
2016-08-01
The gas breakdown induced by a square microwave pulse with a crossed dc magnetic field is investigated using the electron fluid model, in which the accurate electron energy distribution functions are adopted. Simulation results show that at low gas pressures the dc magnetic field of a few tenths of a tesla can prolong the breakdown formation time by reducing the mean electron energy. With the gas pressure increasing, the higher dc magnetic field is required to suppress the microwave breakdown. The electric field along the microwave propagation direction generated due to the motion of electrons obviously increases with the dc magnetic field, but it is much less than the incident electric field. The breakdown predictions of the electron fluid model agree very well with the particle-in-cell-Monte Carlo collision simulations as well as the scaling law for the microwave gas breakdown.
Accurate and scalable social recommendation using mixed-membership stochastic block models.
Godoy-Lorite, Antonia; Guimerà, Roger; Moore, Cristopher; Sales-Pardo, Marta
2016-12-13
With increasing amounts of information available, modeling and predicting user preferences-for books or articles, for example-are becoming more important. We present a collaborative filtering model, with an associated scalable algorithm, that makes accurate predictions of users' ratings. Like previous approaches, we assume that there are groups of users and of items and that the rating a user gives an item is determined by their respective group memberships. However, we allow each user and each item to belong simultaneously to mixtures of different groups and, unlike many popular approaches such as matrix factorization, we do not assume that users in each group prefer a single group of items. In particular, we do not assume that ratings depend linearly on a measure of similarity, but allow probability distributions of ratings to depend freely on the user's and item's groups. The resulting overlapping groups and predicted ratings can be inferred with an expectation-maximization algorithm whose running time scales linearly with the number of observed ratings. Our approach enables us to predict user preferences in large datasets and is considerably more accurate than the current algorithms for such large datasets.
Accurate and scalable social recommendation using mixed-membership stochastic block models
Godoy-Lorite, Antonia; Moore, Cristopher
2016-01-01
With increasing amounts of information available, modeling and predicting user preferences—for books or articles, for example—are becoming more important. We present a collaborative filtering model, with an associated scalable algorithm, that makes accurate predictions of users’ ratings. Like previous approaches, we assume that there are groups of users and of items and that the rating a user gives an item is determined by their respective group memberships. However, we allow each user and each item to belong simultaneously to mixtures of different groups and, unlike many popular approaches such as matrix factorization, we do not assume that users in each group prefer a single group of items. In particular, we do not assume that ratings depend linearly on a measure of similarity, but allow probability distributions of ratings to depend freely on the user’s and item’s groups. The resulting overlapping groups and predicted ratings can be inferred with an expectation-maximization algorithm whose running time scales linearly with the number of observed ratings. Our approach enables us to predict user preferences in large datasets and is considerably more accurate than the current algorithms for such large datasets. PMID:27911773
DOE Office of Scientific and Technical Information (OSTI.GOV)
Punjabi, Alkesh; Ali, Halima
2011-02-15
Any canonical transformation of Hamiltonian equations is symplectic, and any area-preserving transformation in 2D is a symplectomorphism. Based on these, a discrete symplectic map and its continuous symplectic analog are derived for forward magnetic field line trajectories in natural canonical coordinates. The unperturbed axisymmetric Hamiltonian for magnetic field lines is constructed from the experimental data in the DIII-D [J. L. Luxon and L. E. Davis, Fusion Technol. 8, 441 (1985)]. The equilibrium Hamiltonian is a highly accurate, analytic, and realistic representation of the magnetic geometry of the DIII-D. These symplectic mathematical maps are used to calculate the magnetic footprint onmore » the inboard collector plate in the DIII-D. Internal statistical topological noise and field errors are irreducible and ubiquitous in magnetic confinement schemes for fusion. It is important to know the stochasticity and magnetic footprint from noise and error fields. The estimates of the spectrum and mode amplitudes of the spatial topological noise and magnetic errors in the DIII-D are used as magnetic perturbation. The discrete and continuous symplectic maps are used to calculate the magnetic footprint on the inboard collector plate of the DIII-D by inverting the natural coordinates to physical coordinates. The combination of highly accurate equilibrium generating function, natural canonical coordinates, symplecticity, and small step-size together gives a very accurate calculation of magnetic footprint. Radial variation of magnetic perturbation and the response of plasma to perturbation are not included. The inboard footprint from noise and errors are dominated by m=3, n=1 mode. The footprint is in the form of a toroidally winding helical strip. The width of stochastic layer scales as (1/2) power of amplitude. The area of footprint scales as first power of amplitude. The physical parameters such as toroidal angle, length, and poloidal angle covered before striking
Li, Ya Ni; Lu, Lei; Liu, Yong
2017-12-01
The tasseled cap triangle (TCT)-leaf area index (LAI) isoline is a model that reflects the distribution of LAI isoline in the spectral space constituted by reflectance of red and near-infrared (NIR) bands, and the LAI retrieval model developed on the basis of this is more accurate than the commonly used statistical relationship models. This study used ground-based measurements of the rice field, validated the applicability of PROSAIL model in simulating canopy reflectance of rice field, and calibrated the input parameters of the model. The ranges of values of PROSAIL input parameters for simulating rice canopy reflectance were determined. Based on this, the TCT-LAI isoline model of rice field was established, and a look-up table (LUT) required in remote sensing retrieval of LAI was developed. Then, the LUT was used for Landsat 8 and WorldView 3 data to retrieve LAI of rice field, respectively. The results showed that the LAI retrieved using the LUT developed from TCT-LAI isoline model had a good linear relationship with the measured LAI R 2 =0.76, RMSE=0.47. Compared with the LAI retrieved from Landsat 8, LAI values retrieved from WorldView 3 va-ried with wider range, and data distribution was more scattered. Resampling the Landsat 8 and WorldView 3 reflectance data to 1 km to retrieve LAI, the result of MODIS LAI product was significantly underestimated compared to that of retrieved LAI.
NASA Astrophysics Data System (ADS)
Tseng, C.; Lin, Y.
2013-12-01
Nitrogen balance involves many mechanisms and plays an important role to maintain the function of nature. Fertilizer application in agriculture activity is usually seen as a common and significant nitrogen input to environment. Improper fertilizer application on paddy field can result in great amount of various types of nitrogen losses. Hence, it is essential to understand and quantify the nitrogen dynamics in paddy field for fertilizer management and pollution control. In this study, we develop a model which considers major transformation processes of nitrogen (e.g. volatilization, nitrification, denitrification and plant uptake). In addition, we measured different types of nitrogen in plants, soil and water at plant growth stages in an experimental-scale paddy field in Taiwan. The measurement includes total nitrogen in plants and soil, and ammonium-N (NH4+-N), nitrate-N (NO3--N) and organic nitrogen in water. The measured data were used to calibrate the model parameters and validate the model for nitrogen balance simulation. The results showed that the model can accurately estimate the temporal dynamics of nitrogen balance in paddy field during the whole growth stage. This model might be helpful and useful for future fertilizer management and pollution control in paddy field.
Accounting for crustal magnetization in models of the core magnetic field
NASA Technical Reports Server (NTRS)
Jackson, Andrew
1990-01-01
The problem of determining the magnetic field originating in the earth's core in the presence of remanent and induced magnetization is considered. The effect of remanent magnetization in the crust on satellite measurements of the core magnetic field is investigated. The crust as a zero-mean stationary Gaussian random process is modelled using an idea proposed by Parker (1988). It is shown that the matrix of second-order statistics is proportional to the Gram matrix, which depends only on the inner-products of the appropriate Green's functions, and that at a typical satellite altitude of 400 km the data are correlated out to an angular separation of approximately 15 deg. Accurate and efficient means of calculating the matrix elements are given. It is shown that the variance of measurements of the radial component of a magnetic field due to the crust is expected to be approximately twice that in horizontal components.
Getting a Picture that Is Both Accurate and Stable: Situation Models and Epistemic Validation
ERIC Educational Resources Information Center
Schroeder, Sascha; Richter, Tobias; Hoever, Inga
2008-01-01
Text comprehension entails the construction of a situation model that prepares individuals for situated action. In order to meet this function, situation model representations are required to be both accurate and stable. We propose a framework according to which comprehenders rely on epistemic validation to prevent inaccurate information from…
Accurate Treatment of Collision and Water-Delivery in Models of Terrestrial Planet Formation
NASA Astrophysics Data System (ADS)
Haghighipour, N.; Maindl, T. I.; Schaefer, C. M.; Wandel, O.
2017-08-01
We have developed a comprehensive approach in simulating collisions and growth of embryos to terrestrial planets where we use a combination of SPH and N-body codes to model collisions and the transfer of water and chemical compounds accurately.
Beyond Born-Mayer: Improved models for short-range repulsion in ab initio force fields
Van Vleet, Mary J.; Misquitta, Alston J.; Stone, Anthony J.; ...
2016-06-23
Short-range repulsion within inter-molecular force fields is conventionally described by either Lennard-Jones or Born-Mayer forms. Despite their widespread use, these simple functional forms are often unable to describe the interaction energy accurately over a broad range of inter-molecular distances, thus creating challenges in the development of ab initio force fields and potentially leading to decreased accuracy and transferability. Herein, we derive a novel short-range functional form based on a simple Slater-like model of overlapping atomic densities and an iterated stockholder atom (ISA) partitioning of the molecular electron density. We demonstrate that this Slater-ISA methodology yields a more accurate, transferable, andmore » robust description of the short-range interactions at minimal additional computational cost compared to standard Lennard-Jones or Born-Mayer approaches. Lastly, we show how this methodology can be adapted to yield the standard Born-Mayer functional form while still retaining many of the advantages of the Slater-ISA approach.« less
NASA Astrophysics Data System (ADS)
Bagheri, Shahriar; Wu, Nan; Filizadeh, Shaahin
2018-06-01
This paper presents an iterative numerical method that accurately models an energy harvesting system charging a capacitor with piezoelectric patches. The constitutive relations of piezoelectric materials connected with an external charging circuit with a diode bridge and capacitors lead to the electromechanical coupling effect and the difficulty of deriving accurate transient mechanical response, as well as the charging progress. The proposed model is built upon the Euler-Bernoulli beam theory and takes into account the electromechanical coupling effects as well as the dynamic process of charging an external storage capacitor. The model is validated through experimental tests on a cantilever beam coated with piezoelectric patches. Several parametric studies are performed and the functionality of the model is verified. The efficiency of power harvesting system can be predicted and tuned considering variations in different design parameters. Such a model can be utilized to design robust and optimal energy harvesting system.
A new cation-exchange method for accurate field speciation of hexavalent chromium
Ball, J.W.; McCleskey, R. Blaine
2003-01-01
A new method for field speciation of Cr(VI) has been developed to meet present stringent regulatory standards and to overcome the limitations of existing methods. The method consists of passing a water sample through strong acid cation-exchange resin at the field site, where Cr(III) is retained while Cr(VI) passes into the effluent and is preserved for later determination. The method is simple, rapid, portable, and accurate, and makes use of readily available, inexpensive materials. Cr(VI) concentrations are determined later in the laboratory using any elemental analysis instrument sufficiently sensitive to measure the Cr(VI) concentrations of interest. The new method allows measurement of Cr(VI) concentrations as low as 0.05 ??g 1-1, storage of samples for at least several weeks prior to analysis, and use of readily available analytical instrumentation. Cr(VI) can be separated from Cr(III) between pH 2 and 11 at Cr(III)/Cr(VI) concentration ratios as high as 1000. The new method has demonstrated excellent comparability with two commonly used methods, the Hach Company direct colorimetric method and USEPA method 218.6. The new method is superior to the Hach direct colorimetric method owing to its relative sensitivity and simplicity. The new method is superior to USEPA method 218.6 in the presence of Fe(II) concentrations up to 1 mg 1-1 and Fe(III) concentrations up to 10 mg 1-1. Time stability of preserved samples is a significant advantage over the 24-h time constraint specified for USEPA method 218.6.
Accurate Structural Correlations from Maximum Likelihood Superpositions
Theobald, Douglas L; Wuttke, Deborah S
2008-01-01
The cores of globular proteins are densely packed, resulting in complicated networks of structural interactions. These interactions in turn give rise to dynamic structural correlations over a wide range of time scales. Accurate analysis of these complex correlations is crucial for understanding biomolecular mechanisms and for relating structure to function. Here we report a highly accurate technique for inferring the major modes of structural correlation in macromolecules using likelihood-based statistical analysis of sets of structures. This method is generally applicable to any ensemble of related molecules, including families of nuclear magnetic resonance (NMR) models, different crystal forms of a protein, and structural alignments of homologous proteins, as well as molecular dynamics trajectories. Dominant modes of structural correlation are determined using principal components analysis (PCA) of the maximum likelihood estimate of the correlation matrix. The correlations we identify are inherently independent of the statistical uncertainty and dynamic heterogeneity associated with the structural coordinates. We additionally present an easily interpretable method (“PCA plots”) for displaying these positional correlations by color-coding them onto a macromolecular structure. Maximum likelihood PCA of structural superpositions, and the structural PCA plots that illustrate the results, will facilitate the accurate determination of dynamic structural correlations analyzed in diverse fields of structural biology. PMID:18282091
Obtaining Accurate Probabilities Using Classifier Calibration
ERIC Educational Resources Information Center
Pakdaman Naeini, Mahdi
2016-01-01
Learning probabilistic classification and prediction models that generate accurate probabilities is essential in many prediction and decision-making tasks in machine learning and data mining. One way to achieve this goal is to post-process the output of classification models to obtain more accurate probabilities. These post-processing methods are…
Validation of an Accurate Three-Dimensional Helical Slow-Wave Circuit Model
NASA Technical Reports Server (NTRS)
Kory, Carol L.
1997-01-01
The helical slow-wave circuit embodies a helical coil of rectangular tape supported in a metal barrel by dielectric support rods. Although the helix slow-wave circuit remains the mainstay of the traveling-wave tube (TWT) industry because of its exceptionally wide bandwidth, a full helical circuit, without significant dimensional approximations, has not been successfully modeled until now. Numerous attempts have been made to analyze the helical slow-wave circuit so that the performance could be accurately predicted without actually building it, but because of its complex geometry, many geometrical approximations became necessary rendering the previous models inaccurate. In the course of this research it has been demonstrated that using the simulation code, MAFIA, the helical structure can be modeled with actual tape width and thickness, dielectric support rod geometry and materials. To demonstrate the accuracy of the MAFIA model, the cold-test parameters including dispersion, on-axis interaction impedance and attenuation have been calculated for several helical TWT slow-wave circuits with a variety of support rod geometries including rectangular and T-shaped rods, as well as various support rod materials including isotropic, anisotropic and partially metal coated dielectrics. Compared with experimentally measured results, the agreement is excellent. With the accuracy of the MAFIA helical model validated, the code was used to investigate several conventional geometric approximations in an attempt to obtain the most computationally efficient model. Several simplifications were made to a standard model including replacing the helical tape with filaments, and replacing rectangular support rods with shapes conforming to the cylindrical coordinate system with effective permittivity. The approximate models are compared with the standard model in terms of cold-test characteristics and computational time. The model was also used to determine the sensitivity of various
A Simple and Accurate Model to Predict Responses to Multi-electrode Stimulation in the Retina
Maturana, Matias I.; Apollo, Nicholas V.; Hadjinicolaou, Alex E.; Garrett, David J.; Cloherty, Shaun L.; Kameneva, Tatiana; Grayden, David B.; Ibbotson, Michael R.; Meffin, Hamish
2016-01-01
Implantable electrode arrays are widely used in therapeutic stimulation of the nervous system (e.g. cochlear, retinal, and cortical implants). Currently, most neural prostheses use serial stimulation (i.e. one electrode at a time) despite this severely limiting the repertoire of stimuli that can be applied. Methods to reliably predict the outcome of multi-electrode stimulation have not been available. Here, we demonstrate that a linear-nonlinear model accurately predicts neural responses to arbitrary patterns of stimulation using in vitro recordings from single retinal ganglion cells (RGCs) stimulated with a subretinal multi-electrode array. In the model, the stimulus is projected onto a low-dimensional subspace and then undergoes a nonlinear transformation to produce an estimate of spiking probability. The low-dimensional subspace is estimated using principal components analysis, which gives the neuron’s electrical receptive field (ERF), i.e. the electrodes to which the neuron is most sensitive. Our model suggests that stimulation proportional to the ERF yields a higher efficacy given a fixed amount of power when compared to equal amplitude stimulation on up to three electrodes. We find that the model captures the responses of all the cells recorded in the study, suggesting that it will generalize to most cell types in the retina. The model is computationally efficient to evaluate and, therefore, appropriate for future real-time applications including stimulation strategies that make use of recorded neural activity to improve the stimulation strategy. PMID:27035143
Stochastic-field cavitation model
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dumond, J., E-mail: julien.dumond@areva.com; AREVA GmbH, Erlangen, Paul-Gossen-Strasse 100, D-91052 Erlangen; Magagnato, F.
2013-07-15
Nonlinear phenomena can often be well described using probability density functions (pdf) and pdf transport models. Traditionally, the simulation of pdf transport requires Monte-Carlo codes based on Lagrangian “particles” or prescribed pdf assumptions including binning techniques. Recently, in the field of combustion, a novel formulation called the stochastic-field method solving pdf transport based on Eulerian fields has been proposed which eliminates the necessity to mix Eulerian and Lagrangian techniques or prescribed pdf assumptions. In the present work, for the first time the stochastic-field method is applied to multi-phase flow and, in particular, to cavitating flow. To validate the proposed stochastic-fieldmore » cavitation model, two applications are considered. First, sheet cavitation is simulated in a Venturi-type nozzle. The second application is an innovative fluidic diode which exhibits coolant flashing. Agreement with experimental results is obtained for both applications with a fixed set of model constants. The stochastic-field cavitation model captures the wide range of pdf shapes present at different locations.« less
PconsD: ultra rapid, accurate model quality assessment for protein structure prediction.
Skwark, Marcin J; Elofsson, Arne
2013-07-15
Clustering methods are often needed for accurately assessing the quality of modeled protein structures. Recent blind evaluation of quality assessment methods in CASP10 showed that there is little difference between many different methods as far as ranking models and selecting best model are concerned. When comparing many models, the computational cost of the model comparison can become significant. Here, we present PconsD, a fast, stream-computing method for distance-driven model quality assessment that runs on consumer hardware. PconsD is at least one order of magnitude faster than other methods of comparable accuracy. The source code for PconsD is freely available at http://d.pcons.net/. Supplementary benchmarking data are also available there. arne@bioinfo.se Supplementary data are available at Bioinformatics online.
Fang, Yilin; Wilkins, Michael J; Yabusaki, Steven B; Lipton, Mary S; Long, Philip E
2012-12-01
Accurately predicting the interactions between microbial metabolism and the physical subsurface environment is necessary to enhance subsurface energy development, soil and groundwater cleanup, and carbon management. This study was an initial attempt to confirm the metabolic functional roles within an in silico model using environmental proteomic data collected during field experiments. Shotgun global proteomics data collected during a subsurface biostimulation experiment were used to validate a genome-scale metabolic model of Geobacter metallireducens-specifically, the ability of the metabolic model to predict metal reduction, biomass yield, and growth rate under dynamic field conditions. The constraint-based in silico model of G. metallireducens relates an annotated genome sequence to the physiological functions with 697 reactions controlled by 747 enzyme-coding genes. Proteomic analysis showed that 180 of the 637 G. metallireducens proteins detected during the 2008 experiment were associated with specific metabolic reactions in the in silico model. When the field-calibrated Fe(III) terminal electron acceptor process reaction in a reactive transport model for the field experiments was replaced with the genome-scale model, the model predicted that the largest metabolic fluxes through the in silico model reactions generally correspond to the highest abundances of proteins that catalyze those reactions. Central metabolism predicted by the model agrees well with protein abundance profiles inferred from proteomic analysis. Model discrepancies with the proteomic data, such as the relatively low abundances of proteins associated with amino acid transport and metabolism, revealed pathways or flux constraints in the in silico model that could be updated to more accurately predict metabolic processes that occur in the subsurface environment.
DTU candidate field models for IGRF-12 and the CHAOS-5 geomagnetic field model
NASA Astrophysics Data System (ADS)
Finlay, Christopher C.; Olsen, Nils; Tøffner-Clausen, Lars
2015-07-01
We present DTU's candidate field models for IGRF-12 and the parent field model from which they were derived, CHAOS-5. Ten months of magnetic field observations from ESA's Swarm mission, together with up-to-date ground observatory monthly means, were used to supplement the data sources previously used to construct CHAOS-4. The internal field part of CHAOS-5, from which our IGRF-12 candidate models were extracted, is time-dependent up to spherical harmonic degree 20 and involves sixth-order splines with a 0.5 year knot spacing. In CHAOS-5, compared with CHAOS-4, we update only the low-degree internal field model (degrees 1 to 24) and the associated external field model. The high-degree internal field (degrees 25 to 90) is taken from the same model CHAOS-4h, based on low-altitude CHAMP data, which was used in CHAOS-4. We find that CHAOS-5 is able to consistently fit magnetic field data from six independent low Earth orbit satellites: Ørsted, CHAMP, SAC-C and the three Swarm satellites (A, B and C). It also adequately describes the secular variation measured at ground observatories. CHAOS-5 thus contributes to an initial validation of the quality of the Swarm magnetic data, in particular demonstrating that Huber weighted rms model residuals to Swarm vector field data are lower than those to Ørsted and CHAMP vector data (when either one or two star cameras were operating). CHAOS-5 shows three pulses of secular acceleration at the core surface over the past decade; the 2006 and 2009 pulses have previously been documented, but the 2013 pulse has only recently been identified. The spatial signature of the 2013 pulse at the core surface, under the Atlantic sector where it is strongest, is well correlated with the 2006 pulse, but anti-correlated with the 2009 pulse.
Accurately modeling Gaussian beam propagation in the context of Monte Carlo techniques
NASA Astrophysics Data System (ADS)
Hokr, Brett H.; Winblad, Aidan; Bixler, Joel N.; Elpers, Gabriel; Zollars, Byron; Scully, Marlan O.; Yakovlev, Vladislav V.; Thomas, Robert J.
2016-03-01
Monte Carlo simulations are widely considered to be the gold standard for studying the propagation of light in turbid media. However, traditional Monte Carlo methods fail to account for diffraction because they treat light as a particle. This results in converging beams focusing to a point instead of a diffraction limited spot, greatly effecting the accuracy of Monte Carlo simulations near the focal plane. Here, we present a technique capable of simulating a focusing beam in accordance to the rules of Gaussian optics, resulting in a diffraction limited focal spot. This technique can be easily implemented into any traditional Monte Carlo simulation allowing existing models to be converted to include accurate focusing geometries with minimal effort. We will present results for a focusing beam in a layered tissue model, demonstrating that for different scenarios the region of highest intensity, thus the greatest heating, can change from the surface to the focus. The ability to simulate accurate focusing geometries will greatly enhance the usefulness of Monte Carlo for countless applications, including studying laser tissue interactions in medical applications and light propagation through turbid media.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dunn, Nicholas J. H.; Noid, W. G., E-mail: wnoid@chem.psu.edu
2015-12-28
The present work investigates the capability of bottom-up coarse-graining (CG) methods for accurately modeling both structural and thermodynamic properties of all-atom (AA) models for molecular liquids. In particular, we consider 1, 2, and 3-site CG models for heptane, as well as 1 and 3-site CG models for toluene. For each model, we employ the multiscale coarse-graining method to determine interaction potentials that optimally approximate the configuration dependence of the many-body potential of mean force (PMF). We employ a previously developed “pressure-matching” variational principle to determine a volume-dependent contribution to the potential, U{sub V}(V), that approximates the volume-dependence of the PMF.more » We demonstrate that the resulting CG models describe AA density fluctuations with qualitative, but not quantitative, accuracy. Accordingly, we develop a self-consistent approach for further optimizing U{sub V}, such that the CG models accurately reproduce the equilibrium density, compressibility, and average pressure of the AA models, although the CG models still significantly underestimate the atomic pressure fluctuations. Additionally, by comparing this array of models that accurately describe the structure and thermodynamic pressure of heptane and toluene at a range of different resolutions, we investigate the impact of bottom-up coarse-graining upon thermodynamic properties. In particular, we demonstrate that U{sub V} accounts for the reduced cohesion in the CG models. Finally, we observe that bottom-up coarse-graining introduces subtle correlations between the resolution, the cohesive energy density, and the “simplicity” of the model.« less
NASA Technical Reports Server (NTRS)
Jaeck, C. L.
1976-01-01
A model scale flight effects test was conducted in the 40 by 80 foot wind tunnel to investigate the effect of aircraft forward speed on single flow jet noise characteristics. The models tested included a 15.24 cm baseline round convergent nozzle, a 20-lobe and annular nozzle with and without lined ejector shroud, and a 57-tube nozzle with a lined ejector shroud. Nozzle operating conditions covered jet velocities from 412 to 640 m/s at a total temperature of 844 K. Wind tunnel speeds were varied from near zero to 91.5 m/s. Measurements were analyzed to (1) determine apparent jet noise source location including effects of ambient velocity; (2) verify a technique for extrapolating near field jet noise measurements into the far field; (3) determine flight effects in the near and far field for baseline and suppressor nozzles; and (4) establish the wind tunnel as a means of accurately defining flight effects for model nozzles and full scale engines.
Bayesian parameter estimation of a k-ε model for accurate jet-in-crossflow simulations
Ray, Jaideep; Lefantzi, Sophia; Arunajatesan, Srinivasan; ...
2016-05-31
Reynolds-averaged Navier–Stokes models are not very accurate for high-Reynolds-number compressible jet-in-crossflow interactions. The inaccuracy arises from the use of inappropriate model parameters and model-form errors in the Reynolds-averaged Navier–Stokes model. In this study, the hypothesis is pursued that Reynolds-averaged Navier–Stokes predictions can be significantly improved by using parameters inferred from experimental measurements of a supersonic jet interacting with a transonic crossflow.
van Wyk, Marnus J; Bingle, Marianne; Meyer, Frans J C
2005-09-01
International bodies such as International Commission on Non-Ionizing Radiation Protection (ICNIRP) and the Institute for Electrical and Electronic Engineering (IEEE) make provision for human exposure assessment based on SAR calculations (or measurements) and basic restrictions. In the case of base station exposure this is mostly applicable to occupational exposure scenarios in the very near field of these antennas where the conservative reference level criteria could be unnecessarily restrictive. This study presents a variety of critical aspects that need to be considered when calculating SAR in a human body close to a mobile phone base station antenna. A hybrid FEM/MoM technique is proposed as a suitable numerical method to obtain accurate results. The verification of the FEM/MoM implementation has been presented in a previous publication; the focus of this study is an investigation into the detail that must be included in a numerical model of the antenna, to accurately represent the real-world scenario. This is accomplished by comparing numerical results to measurements for a generic GSM base station antenna and appropriate, representative canonical and human phantoms. The results show that it is critical to take the disturbance effect of the human phantom (a large conductive body) on the base station antenna into account when the antenna-phantom spacing is less than 300 mm. For these small spacings, the antenna structure must be modeled in detail. The conclusion is that it is feasible to calculate, using the proposed techniques and methodology, accurate occupational compliance zones around base station antennas based on a SAR profile and basic restriction guidelines. (c) 2005 Wiley-Liss, Inc.
An Accurate and Computationally Efficient Model for Membrane-Type Circular-Symmetric Micro-Hotplates
Khan, Usman; Falconi, Christian
2014-01-01
Ideally, the design of high-performance micro-hotplates would require a large number of simulations because of the existence of many important design parameters as well as the possibly crucial effects of both spread and drift. However, the computational cost of FEM simulations, which are the only available tool for accurately predicting the temperature in micro-hotplates, is very high. As a result, micro-hotplate designers generally have no effective simulation-tools for the optimization. In order to circumvent these issues, here, we propose a model for practical circular-symmetric micro-hot-plates which takes advantage of modified Bessel functions, computationally efficient matrix-approach for considering the relevant boundary conditions, Taylor linearization for modeling the Joule heating and radiation losses, and external-region-segmentation strategy in order to accurately take into account radiation losses in the entire micro-hotplate. The proposed model is almost as accurate as FEM simulations and two to three orders of magnitude more computationally efficient (e.g., 45 s versus more than 8 h). The residual errors, which are mainly associated to the undesired heating in the electrical contacts, are small (e.g., few degrees Celsius for an 800 °C operating temperature) and, for important analyses, almost constant. Therefore, we also introduce a computationally-easy single-FEM-compensation strategy in order to reduce the residual errors to about 1 °C. As illustrative examples of the power of our approach, we report the systematic investigation of a spread in the membrane thermal conductivity and of combined variations of both ambient and bulk temperatures. Our model enables a much faster characterization of micro-hotplates and, thus, a much more effective optimization prior to fabrication. PMID:24763214
Accurate modeling of defects in graphene transport calculations
NASA Astrophysics Data System (ADS)
Linhart, Lukas; Burgdörfer, Joachim; Libisch, Florian
2018-01-01
We present an approach for embedding defect structures modeled by density functional theory into large-scale tight-binding simulations. We extract local tight-binding parameters for the vicinity of the defect site using Wannier functions. In the transition region between the bulk lattice and the defect the tight-binding parameters are continuously adjusted to approach the bulk limit far away from the defect. This embedding approach allows for an accurate high-level treatment of the defect orbitals using as many as ten nearest neighbors while keeping a small number of nearest neighbors in the bulk to render the overall computational cost reasonable. As an example of our approach, we consider an extended graphene lattice decorated with Stone-Wales defects, flower defects, double vacancies, or silicon substitutes. We predict distinct scattering patterns mirroring the defect symmetries and magnitude that should be experimentally accessible.
An adaptive time-stepping strategy for solving the phase field crystal model
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, Zhengru, E-mail: zrzhang@bnu.edu.cn; Ma, Yuan, E-mail: yuner1022@gmail.com; Qiao, Zhonghua, E-mail: zqiao@polyu.edu.hk
2013-09-15
In this work, we will propose an adaptive time step method for simulating the dynamics of the phase field crystal (PFC) model. The numerical simulation of the PFC model needs long time to reach steady state, and then large time-stepping method is necessary. Unconditionally energy stable schemes are used to solve the PFC model. The time steps are adaptively determined based on the time derivative of the corresponding energy. It is found that the use of the proposed time step adaptivity cannot only resolve the steady state solution, but also the dynamical development of the solution efficiently and accurately. Themore » numerical experiments demonstrate that the CPU time is significantly saved for long time simulations.« less
NASA Astrophysics Data System (ADS)
Talvik, Silja; Oja, Tõnis; Ellmann, Artu; Jürgenson, Harli
2014-05-01
Gravity field models in a regional scale are needed for a number of applications, for example national geoid computation, processing of precise levelling data and geological modelling. Thus the methods applied for modelling the gravity field from surveyed gravimetric information need to be considered carefully. The influence of using different gridding methods, the inclusion of unit or realistic weights and indirect gridding of free air anomalies (FAA) are investigated in the study. Known gridding methods such as kriging (KRIG), least squares collocation (LSCO), continuous curvature (CCUR) and optimal Delaunay triangulation (ODET) are used for production of gridded gravity field surfaces. As the quality of data collected varies considerably depending on the methods and instruments available or used in surveying it is important to somehow weigh the input data. This puts additional demands on data maintenance as accuracy information needs to be available for each data point participating in the modelling which is complicated by older gravity datasets where the uncertainties of not only gravity values but also supplementary information such as survey point position are not always known very accurately. A number of gravity field applications (e.g. geoid computation) demand foran FAA model, the acquisition of which is also investigated. Instead of direct gridding it could be more appropriate to proceed with indirect FAA modelling using a Bouguer anomaly grid to reduce the effect of topography on the resulting FAA model (e.g. near terraced landforms). The inclusion of different gridding methods, weights and indirect FAA modelling helps to improve gravity field modelling methods. It becomes possible to estimate the impact of varying methodical approaches on the gravity field modelling as statistical output is compared. Such knowledge helps assess the accuracy of gravity field models and their effect on the aforementioned applications.
Uncertainty Quantification in Geomagnetic Field Modeling
NASA Astrophysics Data System (ADS)
Chulliat, A.; Nair, M. C.; Alken, P.; Meyer, B.; Saltus, R.; Woods, A.
2017-12-01
Geomagnetic field models are mathematical descriptions of the various sources of the Earth's magnetic field, and are generally obtained by solving an inverse problem. They are widely used in research to separate and characterize field sources, but also in many practical applications such as aircraft and ship navigation, smartphone orientation, satellite attitude control, and directional drilling. In recent years, more sophisticated models have been developed, thanks to the continuous availability of high quality satellite data and to progress in modeling techniques. Uncertainty quantification has become an integral part of model development, both to assess the progress made and to address specific users' needs. Here we report on recent advances made by our group in quantifying the uncertainty of geomagnetic field models. We first focus on NOAA's World Magnetic Model (WMM) and the International Geomagnetic Reference Field (IGRF), two reference models of the main (core) magnetic field produced every five years. We describe the methods used in quantifying the model commission error as well as the omission error attributed to various un-modeled sources such as magnetized rocks in the crust and electric current systems in the atmosphere and near-Earth environment. A simple error model was derived from this analysis, to facilitate usage in practical applications. We next report on improvements brought by combining a main field model with a high resolution crustal field model and a time-varying, real-time external field model, like in NOAA's High Definition Geomagnetic Model (HDGM). The obtained uncertainties are used by the directional drilling industry to mitigate health, safety and environment risks.
Determination of accurate vertical atmospheric profiles of extinction and turbulence
NASA Astrophysics Data System (ADS)
Hammel, Steve; Campbell, James; Hallenborg, Eric
2017-09-01
Our ability to generate an accurate vertical profile characterizing the atmosphere from the surface to a point above the boundary layer top is quite rudimentary. The region from a land or sea surface to an altitude of 3000 meters is dynamic and particularly important to the performance of many active optical systems. Accurate and agile instruments are necessary to provide measurements in various conditions, and models are needed to provide the framework and predictive capability necessary for system design and optimization. We introduce some of the path characterization instruments and describe the first work to calibrate and validate them. Along with a verification of measurement accuracy, the tests must also establish each instruments performance envelope. Measurement of these profiles in the field is a problem, and we will present a discussion of recent field test activity to address this issue. The Comprehensive Atmospheric Boundary Layer Extinction/Turbulence Resolution Analysis eXperiment (CABLE/TRAX) was conducted late June 2017. There were two distinct objectives for the experiment: 1) a comparison test of various scintillometers and transmissometers on a homogeneous horizontal path; 2) a vertical profile experiment. In this paper we discuss only the vertical profiling effort, and we describe the instruments that generated data for vertical profiles of absorption, scattering, and turbulence. These three profiles are the core requirements for an accurate assessment of laser beam propagation.
Towards more accurate wind and solar power prediction by improving NWP model physics
NASA Astrophysics Data System (ADS)
Steiner, Andrea; Köhler, Carmen; von Schumann, Jonas; Ritter, Bodo
2014-05-01
The growing importance and successive expansion of renewable energies raise new challenges for decision makers, economists, transmission system operators, scientists and many more. In this interdisciplinary field, the role of Numerical Weather Prediction (NWP) is to reduce the errors and provide an a priori estimate of remaining uncertainties associated with the large share of weather-dependent power sources. For this purpose it is essential to optimize NWP model forecasts with respect to those prognostic variables which are relevant for wind and solar power plants. An improved weather forecast serves as the basis for a sophisticated power forecasts. Consequently, a well-timed energy trading on the stock market, and electrical grid stability can be maintained. The German Weather Service (DWD) currently is involved with two projects concerning research in the field of renewable energy, namely ORKA*) and EWeLiNE**). Whereas the latter is in collaboration with the Fraunhofer Institute (IWES), the project ORKA is led by energy & meteo systems (emsys). Both cooperate with German transmission system operators. The goal of the projects is to improve wind and photovoltaic (PV) power forecasts by combining optimized NWP and enhanced power forecast models. In this context, the German Weather Service aims to improve its model system, including the ensemble forecasting system, by working on data assimilation, model physics and statistical post processing. This presentation is focused on the identification of critical weather situations and the associated errors in the German regional NWP model COSMO-DE. First steps leading to improved physical parameterization schemes within the NWP-model are presented. Wind mast measurements reaching up to 200 m height above ground are used for the estimation of the (NWP) wind forecast error at heights relevant for wind energy plants. One particular problem is the daily cycle in wind speed. The transition from stable stratification during
Accurate SHAPE-directed RNA secondary structure modeling, including pseudoknots.
Hajdin, Christine E; Bellaousov, Stanislav; Huggins, Wayne; Leonard, Christopher W; Mathews, David H; Weeks, Kevin M
2013-04-02
A pseudoknot forms in an RNA when nucleotides in a loop pair with a region outside the helices that close the loop. Pseudoknots occur relatively rarely in RNA but are highly overrepresented in functionally critical motifs in large catalytic RNAs, in riboswitches, and in regulatory elements of viruses. Pseudoknots are usually excluded from RNA structure prediction algorithms. When included, these pairings are difficult to model accurately, especially in large RNAs, because allowing this structure dramatically increases the number of possible incorrect folds and because it is difficult to search the fold space for an optimal structure. We have developed a concise secondary structure modeling approach that combines SHAPE (selective 2'-hydroxyl acylation analyzed by primer extension) experimental chemical probing information and a simple, but robust, energy model for the entropic cost of single pseudoknot formation. Structures are predicted with iterative refinement, using a dynamic programming algorithm. This melded experimental and thermodynamic energy function predicted the secondary structures and the pseudoknots for a set of 21 challenging RNAs of known structure ranging in size from 34 to 530 nt. On average, 93% of known base pairs were predicted, and all pseudoknots in well-folded RNAs were identified.
NASA Astrophysics Data System (ADS)
Cao, Jingchen; Peng, Songang; Liu, Wei; Wu, Quantan; Li, Ling; Geng, Di; Yang, Guanhua; Ji, Zhouyu; Lu, Nianduan; Liu, Ming
2018-02-01
We present a continuous surface-potential-based compact model for molybdenum disulfide (MoS2) field effect transistors based on the multiple trapping release theory and the variable-range hopping theory. We also built contact resistance and velocity saturation models based on the analytical surface potential. This model is verified with experimental data and is able to accurately predict the temperature dependent behavior of the MoS2 field effect transistor. Our compact model is coded in Verilog-A, which can be implemented in a computer-aided design environment. Finally, we carried out an active matrix display simulation, which suggested that the proposed model can be successfully applied to circuit design.
Developments toward more accurate molecular modeling of liquids
NASA Astrophysics Data System (ADS)
Evans, Tom J.
2000-12-01
The general goal of this research has been to improve upon existing combined quantum mechanics/molecular mechanics (QM/MM) methodologies. Error weighting functions have been introduced into the perturbative Monte Carlo (PMC) method for use with QM/MM. The PMC approach, introduced earlier, provides a means to reduce the number of full self-consistent field (SCF) calculations in simulations using the QM/MM potential by evoking perturbation theory to calculate energy changes due to displacements of a MM molecule. This will allow the ab initio QM/MM approach to be applied to systems that require more advanced, computationally demanding treatments of the QM and/or MM regions. Efforts have also been made to improve the accuracy of the representation of the solvent molecules usually represented by MM force fields. Results from an investigation of the applicability of the embedded density functional theory (EDFT) for studying physical properties of solutions will be presented. In this approach, the solute wavefunction is solved self- consistently in the field of individually frozen electron-density solvent molecules. To test its accuracy, the potential curves for interactions between Li+, Cl- and H2O with a single frozen-density H 2O molecule in different orientations have been calculated. With the development of the more sophisticated effective fragment potential (EFP) representation of solvent molecules, a QM/EFP technique was created. This hybrid QM/EFP approach was used to investigate the solvation of Li + by small clusters of water, as a test case for larger ionic dusters. The EFP appears to provide an accurate representation of the strong interactions that exist between Li+ and H2O. With the QM/EFP methodology comes an increased computational expense, resulting in an even greater need to rely on the PMC approach. However, while including the PMC into the hybrid QM/EFP technique, it was discovered that the previous implementation of the PMC was done incorrectly
DOE Office of Scientific and Technical Information (OSTI.GOV)
D’Adamo, Giuseppe, E-mail: giuseppe.dadamo@sissa.it; Pelissetto, Andrea, E-mail: andrea.pelissetto@roma1.infn.it; Pierleoni, Carlo, E-mail: carlo.pierleoni@aquila.infn.it
2014-12-28
A coarse-graining strategy, previously developed for polymer solutions, is extended here to mixtures of linear polymers and hard-sphere colloids. In this approach, groups of monomers are mapped onto a single pseudoatom (a blob) and the effective blob-blob interactions are obtained by requiring the model to reproduce some large-scale structural properties in the zero-density limit. We show that an accurate parametrization of the polymer-colloid interactions is obtained by simply introducing pair potentials between blobs and colloids. For the coarse-grained (CG) model in which polymers are modelled as four-blob chains (tetramers), the pair potentials are determined by means of the iterative Boltzmannmore » inversion scheme, taking full-monomer (FM) pair correlation functions at zero-density as targets. For a larger number n of blobs, pair potentials are determined by using a simple transferability assumption based on the polymer self-similarity. We validate the model by comparing its predictions with full-monomer results for the interfacial properties of polymer solutions in the presence of a single colloid and for thermodynamic and structural properties in the homogeneous phase at finite polymer and colloid density. The tetramer model is quite accurate for q ≲ 1 (q=R{sup ^}{sub g}/R{sub c}, where R{sup ^}{sub g} is the zero-density polymer radius of gyration and R{sub c} is the colloid radius) and reasonably good also for q = 2. For q = 2, an accurate coarse-grained description is obtained by using the n = 10 blob model. We also compare our results with those obtained by using single-blob models with state-dependent potentials.« less
Dynamics and Self-consistent Chaos in a Mean Field Hamiltonian Model
NASA Astrophysics Data System (ADS)
del-Castillo-Negrete, Diego
We study a mean field Hamiltonian model that describes the collective dynamics of marginally stable fluids and plasmas in the finite N and N-> infty kinetic limit (where N is the number of particles). The linear stability of equilibria in the kinetic model is studied as well as the initial value problem including Landau damping . Numerical simulations show the existence of coherent, rotating dipole states. We approximate the dipole as two macroparticles and show that the N=2 limit has a family of rotating integrable solutions that provide an accurate description of the dynamics. We discuss the role of self-consistent Hamiltonian chaos in the formation of coherent structures, and discuss a mechanism of "violent" mixing caused by a self-consistent elliptic-hyperbolic bifurcation in phase space.
Accurate paleointensities - the multi-method approach
NASA Astrophysics Data System (ADS)
de Groot, Lennart
2016-04-01
The accuracy of models describing rapid changes in the geomagnetic field over the past millennia critically depends on the availability of reliable paleointensity estimates. Over the past decade methods to derive paleointensities from lavas (the only recorder of the geomagnetic field that is available all over the globe and through geologic times) have seen significant improvements and various alternative techniques were proposed. The 'classical' Thellier-style approach was optimized and selection criteria were defined in the 'Standard Paleointensity Definitions' (Paterson et al, 2014). The Multispecimen approach was validated and the importance of additional tests and criteria to assess Multispecimen results must be emphasized. Recently, a non-heating, relative paleointensity technique was proposed -the pseudo-Thellier protocol- which shows great potential in both accuracy and efficiency, but currently lacks a solid theoretical underpinning. Here I present work using all three of the aforementioned paleointensity methods on suites of young lavas taken from the volcanic islands of Hawaii, La Palma, Gran Canaria, Tenerife, and Terceira. Many of the sampled cooling units are <100 years old, the actual field strength at the time of cooling is therefore reasonably well known. Rather intuitively, flows that produce coherent results from two or more different paleointensity methods yield the most accurate estimates of the paleofield. Furthermore, the results for some flows pass the selection criteria for one method, but fail in other techniques. Scrutinizing and combing all acceptable results yielded reliable paleointensity estimates for 60-70% of all sampled cooling units - an exceptionally high success rate. This 'multi-method paleointensity approach' therefore has high potential to provide the much-needed paleointensities to improve geomagnetic field models for the Holocene.
Beam-tracing model for predicting sound fields in rooms with multilayer bounding surfaces
NASA Astrophysics Data System (ADS)
Wareing, Andrew; Hodgson, Murray
2005-10-01
This paper presents the development of a wave-based room-prediction model for predicting steady-state sound fields in empty rooms with specularly reflecting, multilayer surfaces. A triangular beam-tracing model with phase, and a transfer-matrix approach to model the surfaces, were involved. Room surfaces were modeled as multilayers of fluid, solid, or porous materials. Biot theory was used in the transfer-matrix formulation of the porous layer. The new model consisted of the transfer-matrix model integrated into the beam-tracing algorithm. The transfer-matrix model was validated by comparing predictions with those by theory, and with experiment. The test surfaces were a glass plate, double drywall panels, double steel panels, a carpeted floor, and a suspended-acoustical ceiling. The beam-tracing model was validated in the cases of three idealized room configurations-a small office, a corridor, and a small industrial workroom-with simple boundary conditions. The number of beams, the reflection order, and the frequency resolution required to obtain accurate results were investigated. Beam-tracing predictions were compared with those by a method-of-images model with phase. The model will be used to study sound fields in rooms with local- or extended-reaction multilayer surfaces.
Bai, Mingsian R; Li, Yi; Chiang, Yi-Hao
2017-10-01
A unified framework is proposed for analysis and synthesis of two-dimensional spatial sound field in reverberant environments. In the sound field analysis (SFA) phase, an unbaffled 24-element circular microphone array is utilized to encode the sound field based on the plane-wave decomposition. Depending on the sparsity of the sound sources, the SFA stage can be implemented in two manners. For sparse-source scenarios, a one-stage algorithm based on compressive sensing algorithm is utilized. Alternatively, a two-stage algorithm can be used, where the minimum power distortionless response beamformer is used to localize the sources and Tikhonov regularization algorithm is used to extract the source amplitudes. In the sound field synthesis (SFS), a 32-element rectangular loudspeaker array is employed to decode the target sound field using pressure matching technique. To establish the room response model, as required in the pressure matching step of the SFS phase, an SFA technique for nonsparse-source scenarios is utilized. Choice of regularization parameters is vital to the reproduced sound field. In the SFS phase, three SFS approaches are compared in terms of localization performance and voice reproduction quality. Experimental results obtained in a reverberant room are presented and reveal that an accurate room response model is vital to immersive rendering of the reproduced sound field.
2017-02-01
ARL-TR-7945 ● FEB 2017 US Army Research Laboratory Development of an Anatomically Accurate Finite Element Human Ocular Globe...ARL-TR-7945 ● FEB 2017 US Army Research Laboratory Development of an Anatomically Accurate Finite Element Human Ocular Globe Model... Finite Element Human Ocular Globe Model for Blast-Related Fluid-Structure Interaction Studies 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM
Solomon Islands 2007 Tsunami Near-Field Modeling and Source Earthquake Deformation
NASA Astrophysics Data System (ADS)
Uslu, B.; Wei, Y.; Fritz, H.; Titov, V.; Chamberlin, C.
2008-12-01
The earthquake of 1 April 2007 left behind momentous footages of crust rupture and tsunami impact along the coastline of Solomon Islands (Fritz and Kalligeris, 2008; Taylor et al., 2008; McAdoo et al., 2008; PARI, 2008), while the undisturbed tsunami signals were also recorded at nearby deep-ocean tsunameters and coastal tide stations. These multi-dimensional measurements provide valuable datasets to tackle the challenging aspects at the tsunami source directly by inversion from tsunameter records in real time (available in a time frame of minutes), and its relationship with the seismic source derived either from the seismometer records (available in a time frame of hours or days) or from the crust rupture measurements (available in a time frame of months or years). The tsunami measurements in the near field, including the complex vertical crust motion and tsunami runup, are particularly critical to help interpreting the tsunami source. This study develops high-resolution inundation models for the Solomon Islands to compute the near-field tsunami impact. Using these models, this research compares the tsunameter-derived tsunami source with the seismic-derived earthquake sources from comprehensive perceptions, including vertical uplift and subsidence, tsunami runup heights and their distributional pattern among the islands, deep-ocean tsunameter measurements, and near- and far-field tide gauge records. The present study stresses the significance of the tsunami magnitude, source location, bathymetry and topography in accurately modeling the generation, propagation and inundation of the tsunami waves. This study highlights the accuracy and efficiency of the tsunameter-derived tsunami source in modeling the near-field tsunami impact. As the high- resolution models developed in this study will become part of NOAA's tsunami forecast system, these results also suggest expanding the system for potential applications in tsunami hazard assessment, search and rescue operations
Traffic Video Image Segmentation Model Based on Bayesian and Spatio-Temporal Markov Random Field
NASA Astrophysics Data System (ADS)
Zhou, Jun; Bao, Xu; Li, Dawei; Yin, Yongwen
2017-10-01
Traffic video image is a kind of dynamic image and its background and foreground is changed at any time, which results in the occlusion. In this case, using the general method is more difficult to get accurate image segmentation. A segmentation algorithm based on Bayesian and Spatio-Temporal Markov Random Field is put forward, which respectively build the energy function model of observation field and label field to motion sequence image with Markov property, then according to Bayesian' rule, use the interaction of label field and observation field, that is the relationship of label field’s prior probability and observation field’s likelihood probability, get the maximum posterior probability of label field’s estimation parameter, use the ICM model to extract the motion object, consequently the process of segmentation is finished. Finally, the segmentation methods of ST - MRF and the Bayesian combined with ST - MRF were analyzed. Experimental results: the segmentation time in Bayesian combined with ST-MRF algorithm is shorter than in ST-MRF, and the computing workload is small, especially in the heavy traffic dynamic scenes the method also can achieve better segmentation effect.
Huang, Yu; Liu, Anli A; Lafon, Belen; Friedman, Daniel; Dayan, Michael; Wang, Xiuyuan; Bikson, Marom; Doyle, Werner K; Devinsky, Orrin; Parra, Lucas C
2017-01-01
Transcranial electric stimulation aims to stimulate the brain by applying weak electrical currents at the scalp. However, the magnitude and spatial distribution of electric fields in the human brain are unknown. We measured electric potentials intracranially in ten epilepsy patients and estimated electric fields across the entire brain by leveraging calibrated current-flow models. When stimulating at 2 mA, cortical electric fields reach 0.8 V/m, the lower limit of effectiveness in animal studies. When individual whole-head anatomy is considered, the predicted electric field magnitudes correlate with the recorded values in cortical (r = 0.86) and depth (r = 0.88) electrodes. Accurate models require adjustment of tissue conductivity values reported in the literature, but accuracy is not improved when incorporating white matter anisotropy or different skull compartments. This is the first study to validate and calibrate current-flow models with in vivo intracranial recordings in humans, providing a solid foundation to target stimulation and interpret clinical trials. DOI: http://dx.doi.org/10.7554/eLife.18834.001 PMID:28169833
Modeling Organochlorine Compounds and the σ-Hole Effect Using a Polarizable Multipole Force Field
2015-01-01
The charge distribution of halogen atoms on organochlorine compounds can be highly anisotropic and even display a so-called σ-hole, which leads to strong halogen bonds with electron donors. In this paper, we have systematically investigated a series of chloromethanes with one to four chloro substituents using a polarizable multipole-based molecular mechanics model. The atomic multipoles accurately reproduced the ab initio electrostatic potential around chloromethanes, including CCl4, which has a prominent σ-hole on the Cl atom. The van der Waals parameters for Cl were fitted to the experimental density and heat of vaporization. The calculated hydration free energy, solvent reaction fields, and interaction energies of several homo- and heterodimer of chloromethanes are in good agreement with experimental and ab initio data. This study suggests that sophisticated electrostatic models, such as polarizable atomic multipoles, are needed for accurate description of electrostatics in organochlorine compounds and halogen bonds, although further improvement is necessary for better transferability. PMID:24484473
Accurate numerical forward model for optimal retracking of SIRAL2 SAR echoes over open ocean
NASA Astrophysics Data System (ADS)
Phalippou, L.; Demeestere, F.
2011-12-01
The SAR mode of SIRAL-2 on board Cryosat-2 has been designed to measure primarily sea-ice and continental ice (Wingham et al. 2005). In 2005, K. Raney (KR, 2005) pointed out the improvements brought by SAR altimeter for open ocean. KR results were mostly based on 'rule of thumb' considerations on speckle noise reduction due to the higher PRF and to speckle decorrelation after SAR processing. In 2007, Phalippou and Enjolras (PE,2007) provided the theoretical background for optimal retracking of SAR echoes over ocean with a focus on the forward modelling of the power-waveforms. The accuracies of geophysical parameters (range, significant wave heights, and backscattering coefficient) retrieved from SAR altimeter data were derived accounting for SAR echo shape and speckle noise accurate modelling. The step forward to optimal retracking using numerical forward model (NFM) was also pointed out. NFM of the power waveform avoids analytical approximation, a warranty to minimise the geophysical dependent biases in the retrieval. NFM have been used for many years, in operational meteorology in particular, for retrieving temperature and humidity profiles from IR and microwave radiometers as the radiative transfer function is complex (Eyre, 1989). So far this technique was not used in the field of ocean conventional altimetry as analytical models (e.g. Brown's model for instance) were found to give sufficient accuracy. However, although NFM seems desirable even for conventional nadir altimetry, it becomes inevitable if one wish to process SAR altimeter data as the transfer function is too complex to be approximated by a simple analytical function. This was clearly demonstrated in PE 2007. The paper describes the background to SAR data retracking over open ocean. Since PE 2007 improvements have been brought to the forward model and it is shown that the altimeter on-ground and in flight characterisation (e.g antenna pattern range impulse response, azimuth impulse response
Reviews and syntheses: Field data to benchmark the carbon cycle models for tropical forests
Clark, Deborah A.; Asao, Shinichi; Fisher, Rosie A.; Reed, Sasha C.; Reich, Peter B.; Ryan, Michael G.; Wood, Tana E.; Yang, Xiaojuan
2017-01-01
For more accurate projections of both the global carbon (C) cycle and the changing climate, a critical current need is to improve the representation of tropical forests in Earth system models. Tropical forests exchange more C, energy, and water with the atmosphere than any other class of land ecosystems. Further, tropical-forest C cycling is likely responding to the rapid global warming, intensifying water stress, and increasing atmospheric CO2 levels. Projections of the future C balance of the tropics vary widely among global models. A current effort of the modeling community, the ILAMB (International Land Model Benchmarking) project, is to compile robust observations that can be used to improve the accuracy and realism of the land models for all major biomes. Our goal with this paper is to identify field observations of tropical-forest ecosystem C stocks and fluxes, and of their long-term trends and climatic and CO2 sensitivities, that can serve this effort. We propose criteria for reference-level field data from this biome and present a set of documented examples from old-growth lowland tropical forests. We offer these as a starting point towards the goal of a regularly updated consensus set of benchmark field observations of C cycling in tropical forests.
Reviews and syntheses: Field data to benchmark the carbon cycle models for tropical forests
NASA Astrophysics Data System (ADS)
Clark, Deborah A.; Asao, Shinichi; Fisher, Rosie; Reed, Sasha; Reich, Peter B.; Ryan, Michael G.; Wood, Tana E.; Yang, Xiaojuan
2017-10-01
For more accurate projections of both the global carbon (C) cycle and the changing climate, a critical current need is to improve the representation of tropical forests in Earth system models. Tropical forests exchange more C, energy, and water with the atmosphere than any other class of land ecosystems. Further, tropical-forest C cycling is likely responding to the rapid global warming, intensifying water stress, and increasing atmospheric CO2 levels. Projections of the future C balance of the tropics vary widely among global models. A current effort of the modeling community, the ILAMB (International Land Model Benchmarking) project, is to compile robust observations that can be used to improve the accuracy and realism of the land models for all major biomes. Our goal with this paper is to identify field observations of tropical-forest ecosystem C stocks and fluxes, and of their long-term trends and climatic and CO2 sensitivities, that can serve this effort. We propose criteria for reference-level field data from this biome and present a set of documented examples from old-growth lowland tropical forests. We offer these as a starting point towards the goal of a regularly updated consensus set of benchmark field observations of C cycling in tropical forests.
Reviews and syntheses: Field data to benchmark the carbon cycle models for tropical forests
DOE Office of Scientific and Technical Information (OSTI.GOV)
Clark, Deborah A.; Asao, Shinichi; Fisher, Rosie
For more accurate projections of both the global carbon (C) cycle and the changing climate, a critical current need is to improve the representation of tropical forests in Earth system models. Tropical forests exchange more C, energy, and water with the atmosphere than any other class of land ecosystems. Further, tropical-forest C cycling is likely responding to the rapid global warming, intensifying water stress, and increasing atmospheric CO 2 levels. Projections of the future C balance of the tropics vary widely among global models. A current effort of the modeling community, the ILAMB (International Land Model Benchmarking) project, is tomore » compile robust observations that can be used to improve the accuracy and realism of the land models for all major biomes. Our goal with this paper is to identify field observations of tropical-forest ecosystem C stocks and fluxes, and of their long-term trends and climatic and CO 2 sensitivities, that can serve this effort. We propose criteria for reference-level field data from this biome and present a set of documented examples from old-growth lowland tropical forests. We offer these as a starting point towards the goal of a regularly updated consensus set of benchmark field observations of C cycling in tropical forests.« less
Reviews and syntheses: Field data to benchmark the carbon cycle models for tropical forests
Clark, Deborah A.; Asao, Shinichi; Fisher, Rosie; ...
2017-10-23
For more accurate projections of both the global carbon (C) cycle and the changing climate, a critical current need is to improve the representation of tropical forests in Earth system models. Tropical forests exchange more C, energy, and water with the atmosphere than any other class of land ecosystems. Further, tropical-forest C cycling is likely responding to the rapid global warming, intensifying water stress, and increasing atmospheric CO 2 levels. Projections of the future C balance of the tropics vary widely among global models. A current effort of the modeling community, the ILAMB (International Land Model Benchmarking) project, is tomore » compile robust observations that can be used to improve the accuracy and realism of the land models for all major biomes. Our goal with this paper is to identify field observations of tropical-forest ecosystem C stocks and fluxes, and of their long-term trends and climatic and CO 2 sensitivities, that can serve this effort. We propose criteria for reference-level field data from this biome and present a set of documented examples from old-growth lowland tropical forests. We offer these as a starting point towards the goal of a regularly updated consensus set of benchmark field observations of C cycling in tropical forests.« less
BEYOND ELLIPSE(S): ACCURATELY MODELING THE ISOPHOTAL STRUCTURE OF GALAXIES WITH ISOFIT AND CMODEL
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ciambur, B. C., E-mail: bciambur@swin.edu.au
2015-09-10
This work introduces a new fitting formalism for isophotes that enables more accurate modeling of galaxies with non-elliptical shapes, such as disk galaxies viewed edge-on or galaxies with X-shaped/peanut bulges. Within this scheme, the angular parameter that defines quasi-elliptical isophotes is transformed from the commonly used, but inappropriate, polar coordinate to the “eccentric anomaly.” This provides a superior description of deviations from ellipticity, better capturing the true isophotal shape. Furthermore, this makes it possible to accurately recover both the surface brightness profile, using the correct azimuthally averaged isophote, and the two-dimensional model of any galaxy: the hitherto ubiquitous, but artificial,more » cross-like features in residual images are completely removed. The formalism has been implemented into the Image Reduction and Analysis Facility tasks Ellipse and Bmodel to create the new tasks “Isofit,” and “Cmodel.” The new tools are demonstrated here with application to five galaxies, chosen to be representative case-studies for several areas where this technique makes it possible to gain new scientific insight. Specifically: properly quantifying boxy/disky isophotes via the fourth harmonic order in edge-on galaxies, quantifying X-shaped/peanut bulges, higher-order Fourier moments for modeling bars in disks, and complex isophote shapes. Higher order (n > 4) harmonics now become meaningful and may correlate with structural properties, as boxyness/diskyness is known to do. This work also illustrates how the accurate construction, and subtraction, of a model from a galaxy image facilitates the identification and recovery of over-lapping sources such as globular clusters and the optical counterparts of X-ray sources.« less
Lee, M.W.; Meuwly, M.
2013-01-01
The evaluation of hydration free energies is a sensitive test to assess force fields used in atomistic simulations. We showed recently that the vibrational relaxation times, 1D- and 2D-infrared spectroscopies for CN(-) in water can be quantitatively described from molecular dynamics (MD) simulations with multipolar force fields and slightly enlarged van der Waals radii for the C- and N-atoms. To validate such an approach, the present work investigates the solvation free energy of cyanide in water using MD simulations with accurate multipolar electrostatics. It is found that larger van der Waals radii are indeed necessary to obtain results close to the experimental values when a multipolar force field is used. For CN(-), the van der Waals ranges refined in our previous work yield hydration free energy between -72.0 and -77.2 kcal mol(-1), which is in excellent agreement with the experimental data. In addition to the cyanide ion, we also study the hydroxide ion to show that the method used here is readily applicable to similar systems. Hydration free energies are found to sensitively depend on the intermolecular interactions, while bonded interactions are less important, as expected. We also investigate in the present work the possibility of applying the multipolar force field in scoring trajectories generated using computationally inexpensive methods, which should be useful in broader parametrization studies with reduced computational resources, as scoring is much faster than the generation of the trajectories.
Terminator field-aligned current system: A new finding from model-assimilated data set (MADS)
NASA Astrophysics Data System (ADS)
Zhu, L.; Schunk, R. W.; Scherliess, L.; Sojka, J. J.; Gardner, L. C.; Eccles, J. V.; Rice, D.
2013-12-01
Physics-based data assimilation models have been recognized by the space science community as the most accurate approach to specify and forecast the space weather of the solar-terrestrial environment. The model-assimilated data sets (MADS) produced by these models constitute an internally consistent time series of global three-dimensional fields whose accuracy can be estimated. Because of its internal consistency of physics and completeness of descriptions on the status of global systems, the MADS has also been a powerful tool to identify the systematic errors in measurements, reveal the missing physics in physical models, and discover the important dynamical physical processes that are inadequately observed or missed by measurements due to observational limitations. In the past years, we developed a data assimilation model for the high-latitude ionospheric plasma dynamics and electrodynamics. With a set of physical models, an ensemble Kalman filter, and the ingestion of data from multiple observations, the data assimilation model can produce a self-consistent time-series of the complete descriptions of the global high-latitude ionosphere, which includes the convection electric field, horizontal and field-aligned currents, conductivity, as well as 3-D plasma densities and temperatures, In this presentation, we will show a new field-aligned current system discovered from the analysis of the MADS produced by our data assimilation model. This new current system appears and develops near the ionospheric terminator. The dynamical features of this current system will be described and its connection to the active role of the ionosphere in the M-I coupling will be discussed.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Li, Yulan; Hu, Shenyang Y.; Sun, Xin
2011-06-15
Microstructure evolution kinetics in irradiated materials has strongly spatial correlation. For example, void and second phases prefer to nucleate and grow at pre-existing defects such as dislocations, grain boundaries, and cracks. Inhomogeneous microstructure evolution results in inhomogeneity of microstructure and thermo-mechanical properties. Therefore, the simulation capability for predicting three dimensional (3-D) microstructure evolution kinetics and its subsequent impact on material properties and performance is crucial for scientific design of advanced nuclear materials and optimal operation conditions in order to reduce uncertainty in operational and safety margins. Very recently the meso-scale phase-field (PF) method has been used to predict gas bubblemore » evolution, void swelling, void lattice formation and void migration in irradiated materials,. Although most results of phase-field simulations are qualitative due to the lake of accurate thermodynamic and kinetic properties of defects, possible missing of important kinetic properties and processes, and the capability of current codes and computers for large time and length scale modeling, the simulations demonstrate that PF method is a promising simulation tool for predicting 3-D heterogeneous microstructure and property evolution, and providing microstructure evolution kinetics for higher scale level simulations of microstructure and property evolution such as mean field methods. This report consists of two parts. In part I, we will present a new phase-field model for predicting interstitial loop growth kinetics in irradiated materials. The effect of defect (vacancy/interstitial) generation, diffusion and recombination, sink strength, long-range elastic interaction, inhomogeneous and anisotropic mobility on microstructure evolution kinetics is taken into account in the model. The model is used to study the effect of elastic interaction on interstitial loop growth kinetics, the interstitial flux
ERIC Educational Resources Information Center
Li, Fangzheng; Liu, Chunying; Song, Xuexiong; Huan, Yanjun; Gao, Shansong; Jiang, Zhongling
2018-01-01
Access to adequate anatomical specimens can be an important aspect in learning the anatomy of domestic animals. In this study, the authors utilized a structured light scanner and fused deposition modeling (FDM) printer to produce highly accurate animal skeletal models. First, various components of the bovine skeleton, including the femur, the…
Accurate De Novo Prediction of Protein Contact Map by Ultra-Deep Learning Model.
Wang, Sheng; Sun, Siqi; Li, Zhen; Zhang, Renyu; Xu, Jinbo
2017-01-01
Protein contacts contain key information for the understanding of protein structure and function and thus, contact prediction from sequence is an important problem. Recently exciting progress has been made on this problem, but the predicted contacts for proteins without many sequence homologs is still of low quality and not very useful for de novo structure prediction. This paper presents a new deep learning method that predicts contacts by integrating both evolutionary coupling (EC) and sequence conservation information through an ultra-deep neural network formed by two deep residual neural networks. The first residual network conducts a series of 1-dimensional convolutional transformation of sequential features; the second residual network conducts a series of 2-dimensional convolutional transformation of pairwise information including output of the first residual network, EC information and pairwise potential. By using very deep residual networks, we can accurately model contact occurrence patterns and complex sequence-structure relationship and thus, obtain higher-quality contact prediction regardless of how many sequence homologs are available for proteins in question. Our method greatly outperforms existing methods and leads to much more accurate contact-assisted folding. Tested on 105 CASP11 targets, 76 past CAMEO hard targets, and 398 membrane proteins, the average top L long-range prediction accuracy obtained by our method, one representative EC method CCMpred and the CASP11 winner MetaPSICOV is 0.47, 0.21 and 0.30, respectively; the average top L/10 long-range accuracy of our method, CCMpred and MetaPSICOV is 0.77, 0.47 and 0.59, respectively. Ab initio folding using our predicted contacts as restraints but without any force fields can yield correct folds (i.e., TMscore>0.6) for 203 of the 579 test proteins, while that using MetaPSICOV- and CCMpred-predicted contacts can do so for only 79 and 62 of them, respectively. Our contact-assisted models also have
Accurate De Novo Prediction of Protein Contact Map by Ultra-Deep Learning Model
Li, Zhen; Zhang, Renyu
2017-01-01
Motivation Protein contacts contain key information for the understanding of protein structure and function and thus, contact prediction from sequence is an important problem. Recently exciting progress has been made on this problem, but the predicted contacts for proteins without many sequence homologs is still of low quality and not very useful for de novo structure prediction. Method This paper presents a new deep learning method that predicts contacts by integrating both evolutionary coupling (EC) and sequence conservation information through an ultra-deep neural network formed by two deep residual neural networks. The first residual network conducts a series of 1-dimensional convolutional transformation of sequential features; the second residual network conducts a series of 2-dimensional convolutional transformation of pairwise information including output of the first residual network, EC information and pairwise potential. By using very deep residual networks, we can accurately model contact occurrence patterns and complex sequence-structure relationship and thus, obtain higher-quality contact prediction regardless of how many sequence homologs are available for proteins in question. Results Our method greatly outperforms existing methods and leads to much more accurate contact-assisted folding. Tested on 105 CASP11 targets, 76 past CAMEO hard targets, and 398 membrane proteins, the average top L long-range prediction accuracy obtained by our method, one representative EC method CCMpred and the CASP11 winner MetaPSICOV is 0.47, 0.21 and 0.30, respectively; the average top L/10 long-range accuracy of our method, CCMpred and MetaPSICOV is 0.77, 0.47 and 0.59, respectively. Ab initio folding using our predicted contacts as restraints but without any force fields can yield correct folds (i.e., TMscore>0.6) for 203 of the 579 test proteins, while that using MetaPSICOV- and CCMpred-predicted contacts can do so for only 79 and 62 of them, respectively. Our contact
Electric Field Encephalography as a tool for functional brain research: a modeling study.
Petrov, Yury; Sridhar, Srinivas
2013-01-01
We introduce the notion of Electric Field Encephalography (EFEG) based on measuring electric fields of the brain and demonstrate, using computer modeling, that given the appropriate electric field sensors this technique may have significant advantages over the current EEG technique. Unlike EEG, EFEG can be used to measure brain activity in a contactless and reference-free manner at significant distances from the head surface. Principal component analysis using simulated cortical sources demonstrated that electric field sensors positioned 3 cm away from the scalp and characterized by the same signal-to-noise ratio as EEG sensors provided the same number of uncorrelated signals as scalp EEG. When positioned on the scalp, EFEG sensors provided 2-3 times more uncorrelated signals. This significant increase in the number of uncorrelated signals can be used for more accurate assessment of brain states for non-invasive brain-computer interfaces and neurofeedback applications. It also may lead to major improvements in source localization precision. Source localization simulations for the spherical and Boundary Element Method (BEM) head models demonstrated that the localization errors are reduced two-fold when using electric fields instead of electric potentials. We have identified several techniques that could be adapted for the measurement of the electric field vector required for EFEG and anticipate that this study will stimulate new experimental approaches to utilize this new tool for functional brain research.
A model-updating procedure to stimulate piezoelectric transducers accurately.
Piranda, B; Ballandras, S; Steichen, W; Hecart, B
2001-09-01
The use of numerical calculations based on finite element methods (FEM) has yielded significant improvements in the simulation and design of piezoelectric transducers piezoelectric transducer utilized in acoustic imaging. However, the ultimate precision of such models is directly controlled by the accuracy of material characterization. The present work is dedicated to the development of a model-updating technique adapted to the problem of piezoelectric transducer. The updating process is applied using the experimental admittance of a given structure for which a finite element analysis is performed. The mathematical developments are reported and then applied to update the entries of a FEM of a two-layer structure (a PbZrTi-PZT-ridge glued on a backing) for which measurements were available. The efficiency of the proposed approach is demonstrated, yielding the definition of a new set of constants well adapted to predict the structure response accurately. Improvement of the proposed approach, consisting of the updating of material coefficients not only on the admittance but also on the impedance data, is finally discussed.
Accurate modeling of switched reluctance machine based on hybrid trained WNN
DOE Office of Scientific and Technical Information (OSTI.GOV)
Song, Shoujun, E-mail: sunnyway@nwpu.edu.cn; Ge, Lefei; Ma, Shaojie
2014-04-15
According to the strong nonlinear electromagnetic characteristics of switched reluctance machine (SRM), a novel accurate modeling method is proposed based on hybrid trained wavelet neural network (WNN) which combines improved genetic algorithm (GA) with gradient descent (GD) method to train the network. In the novel method, WNN is trained by GD method based on the initial weights obtained per improved GA optimization, and the global parallel searching capability of stochastic algorithm and local convergence speed of deterministic algorithm are combined to enhance the training accuracy, stability and speed. Based on the measured electromagnetic characteristics of a 3-phase 12/8-pole SRM, themore » nonlinear simulation model is built by hybrid trained WNN in Matlab. The phase current and mechanical characteristics from simulation under different working conditions meet well with those from experiments, which indicates the accuracy of the model for dynamic and static performance evaluation of SRM and verifies the effectiveness of the proposed modeling method.« less
Geomagnetic main field modeling with DMSP
NASA Astrophysics Data System (ADS)
Alken, P.; Maus, S.; Lühr, H.; Redmon, R. J.; Rich, F.; Bowman, B.; O'Malley, S. M.
2014-05-01
The Defense Meteorological Satellite Program (DMSP) launches and maintains a network of satellites to monitor the meteorological, oceanographic, and solar-terrestrial physics environments. In the past decade, geomagnetic field modelers have focused much attention on magnetic measurements from missions such as CHAMP, Ørsted, and SAC-C. With the completion of the CHAMP mission in 2010, there has been a multiyear gap in satellite-based vector magnetic field measurements available for main field modeling. In this study, we calibrate the special sensor magnetometer instrument on board DMSP to create a data set suitable for main field modeling. These vector field measurements are calibrated to compute instrument timing shifts, scale factors, offsets, and nonorthogonality angles of the fluxgate magnetometer cores. Euler angles are then computed to determine the orientation of the vector magnetometer with respect to a local coordinate system. We fit a degree 15 main field model to the data set and compare with the World Magnetic Model and Ørsted scalar measurements. We call this model DMSP-MAG-1, and its coefficients and software are available for download at http://geomag.org/models/dmsp.html. Our results indicate that the DMSP data set will be a valuable source for main field modeling for the years between CHAMP and the recently launched Swarm mission.
Tunnel ionization of atoms and molecules: How accurate are the weak-field asymptotic formulas?
NASA Astrophysics Data System (ADS)
Labeye, Marie; Risoud, François; Maquet, Alfred; Caillat, Jérémie; Taïeb, Richard
2018-05-01
Weak-field asymptotic formulas for the tunnel ionization rate of atoms and molecules in strong laser fields are often used for the analysis of strong field recollision experiments. We investigate their accuracy and domain of validity for different model systems by confronting them to exact numerical results, obtained by solving the time dependent Schrödinger equation. We find that corrections that take the dc-Stark shift into account are a simple and efficient way to improve the formula. Furthermore, analyzing the different approximations used, we show that error compensation plays a crucial role in the fair agreement between exact and analytical results.
Cloud-based calculators for fast and reliable access to NOAA's geomagnetic field models
NASA Astrophysics Data System (ADS)
Woods, A.; Nair, M. C.; Boneh, N.; Chulliat, A.
2017-12-01
While the Global Positioning System (GPS) provides accurate point locations, it does not provide pointing directions. Therefore, the absolute directional information provided by the Earth's magnetic field is of primary importance for navigation and for the pointing of technical devices such as aircrafts, satellites and lately, mobile phones. The major magnetic sources that affect compass-based navigation are the Earth's core, its magnetized crust and the electric currents in the ionosphere and magnetosphere. NOAA/CIRES Geomagnetism (ngdc.noaa.gov/geomag/) group develops and distributes models that describe all these important sources to aid navigation. Our geomagnetic models are used in variety of platforms including airplanes, ships, submarines and smartphones. While the magnetic field from Earth's core can be described in relatively fewer parameters and is suitable for offline computation, the magnetic sources from Earth's crust, ionosphere and magnetosphere require either significant computational resources or real-time capabilities and are not suitable for offline calculation. This is especially important for small navigational devices or embedded systems, where computational resources are limited. Recognizing the need for a fast and reliable access to our geomagnetic field models, we developed cloud-based application program interfaces (APIs) for NOAA's ionospheric and magnetospheric magnetic field models. In this paper we will describe the need for reliable magnetic calculators, the challenges faced in running geomagnetic field models in the cloud in real-time and the feedback from our user community. We discuss lessons learned harvesting and validating the data which powers our cloud services, as well as our strategies for maintaining near real-time service, including load-balancing, real-time monitoring, and instance cloning. We will also briefly talk about the progress we achieved on NOAA's Big Earth Data Initiative (BEDI) funded project to develop API
Using Whole-House Field Tests to Empirically Derive Moisture Buffering Model Inputs
DOE Office of Scientific and Technical Information (OSTI.GOV)
Woods, J.; Winkler, J.; Christensen, D.
2014-08-01
Building energy simulations can be used to predict a building's interior conditions, along with the energy use associated with keeping these conditions comfortable. These models simulate the loads on the building (e.g., internal gains, envelope heat transfer), determine the operation of the space conditioning equipment, and then calculate the building's temperature and humidity throughout the year. The indoor temperature and humidity are affected not only by the loads and the space conditioning equipment, but also by the capacitance of the building materials, which buffer changes in temperature and humidity. This research developed an empirical method to extract whole-house model inputsmore » for use with a more accurate moisture capacitance model (the effective moisture penetration depth model). The experimental approach was to subject the materials in the house to a square-wave relative humidity profile, measure all of the moisture transfer terms (e.g., infiltration, air conditioner condensate) and calculate the only unmeasured term: the moisture absorption into the materials. After validating the method with laboratory measurements, we performed the tests in a field house. A least-squares fit of an analytical solution to the measured moisture absorption curves was used to determine the three independent model parameters representing the moisture buffering potential of this house and its furnishings. Follow on tests with realistic latent and sensible loads showed good agreement with the derived parameters, especially compared to the commonly-used effective capacitance approach. These results show that the EMPD model, once the inputs are known, is an accurate moisture buffering model.« less
Accurate atomistic potentials and training sets for boron-nitride nanostructures
NASA Astrophysics Data System (ADS)
Tamblyn, Isaac
Boron nitride nanotubes exhibit exceptional structural, mechanical, and thermal properties. They are optically transparent and have high thermal stability, suggesting a wide range of opportunities for structural reinforcement of materials. Modeling can play an important role in determining the optimal approach to integrating nanotubes into a supporting matrix. Developing accurate, atomistic scale models of such nanoscale interfaces embedded within composites is challenging, however, due to the mismatch of length scales involved. Typical nanotube diameters range from 5-50 nm, with a length as large as a micron (i.e. a relevant length-scale for structural reinforcement). Unlike their carbon-based counterparts, well tested and transferable interatomic force fields are not common for BNNT. In light of this, we have developed an extensive training database of BN rich materials, under conditions relevant for BNNT synthesis and composites based on extensive first principles molecular dynamics simulations. Using this data, we have produced an artificial neural network potential capable of reproducing the accuracy of first principles data at significantly reduced computational cost, allowing for accurate simulation at the much larger length scales needed for composite design.
Building analytical three-field cosmological models
NASA Astrophysics Data System (ADS)
Santos, J. R. L.; Moraes, P. H. R. S.; Ferreira, D. A.; Neta, D. C. Vilar
2018-02-01
A difficult task to deal with is the analytical treatment of models composed of three real scalar fields, as their equations of motion are in general coupled and hard to integrate. In order to overcome this problem we introduce a methodology to construct three-field models based on the so-called "extension method". The fundamental idea of the procedure is to combine three one-field systems in a non-trivial way, to construct an effective three scalar field model. An interesting scenario where the method can be implemented is with inflationary models, where the Einstein-Hilbert Lagrangian is coupled with the scalar field Lagrangian. We exemplify how a new model constructed from our method can lead to non-trivial behaviors for cosmological parameters.
NASA Astrophysics Data System (ADS)
Salinas, F. S.; Lancaster, J. L.; Fox, P. T.
2009-06-01
Transcranial magnetic stimulation (TMS) delivers highly localized brain stimulations via non-invasive externally applied magnetic fields. This non-invasive, painless technique provides researchers and clinicians with a unique tool capable of stimulating both the central and peripheral nervous systems. However, a complete analysis of the macroscopic electric fields produced by TMS has not yet been performed. In this paper, we addressed the importance of the secondary E-field created by surface charge accumulation during TMS using the boundary element method (BEM). 3D models were developed using simple head geometries in order to test the model and compare it with measured values. The effects of tissue geometry, size and conductivity were also investigated. Finally, a realistically shaped head model was used to assess the effect of multiple surfaces on the total E-field. Secondary E-fields have the greatest impact at areas in close proximity to each tissue layer. Throughout the head, the secondary E-field magnitudes typically range from 20% to 35% of the primary E-field's magnitude. The direction of the secondary E-field was generally in opposition to the primary E-field; however, for some locations, this was not the case (i.e. going from high to low conductivity tissues). These findings show that realistically shaped head geometries are important for accurate modeling of the total E-field.
Misquitta, Alston J; Stone, Anthony J; Price, Sarah L
2008-01-01
In part 1 of this two-part investigation we set out the theoretical basis for constructing accurate models of the induction energy of clusters of moderately sized organic molecules. In this paper we use these techniques to develop a variety of accurate distributed polarizability models for a set of representative molecules that include formamide, N-methyl propanamide, benzene, and 3-azabicyclo[3.3.1]nonane-2,4-dione. We have also explored damping, penetration, and basis set effects. In particular, we have provided a way to treat the damping of the induction expansion. Different approximations to the induction energy are evaluated against accurate SAPT(DFT) energies, and we demonstrate the accuracy of our induction models on the formamide-water dimer.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Grillo, C.; Suyu, S. H.; Umetsu, K.
2015-02-10
We present a detailed mass reconstruction and a novel study on the substructure properties in the core of the Cluster Lensing And Supernova survey with Hubble (CLASH) and Frontier Fields galaxy cluster MACS J0416.1–2403. We show and employ our extensive spectroscopic data set taken with the VIsible Multi-Object Spectrograph instrument as part of our CLASH-VLT program, to confirm spectroscopically 10 strong lensing systems and to select a sample of 175 plausible cluster members to a limiting stellar mass of log (M {sub *}/M {sub ☉}) ≅ 8.6. We reproduce the measured positions of a set of 30 multiple images withmore » a remarkable median offset of only 0.''3 by means of a comprehensive strong lensing model comprised of two cluster dark-matter halos, represented by cored elliptical pseudo-isothermal mass distributions, and the cluster member components, parameterized with dual pseudo-isothermal total mass profiles. The latter have total mass-to-light ratios increasing with the galaxy HST/WFC3 near-IR (F160W) luminosities. The measurement of the total enclosed mass within the Einstein radius is accurate to ∼5%, including the systematic uncertainties estimated from six distinct mass models. We emphasize that the use of multiple-image systems with spectroscopic redshifts and knowledge of cluster membership based on extensive spectroscopic information is key to constructing robust high-resolution mass maps. We also produce magnification maps over the central area that is covered with HST observations. We investigate the galaxy contribution, both in terms of total and stellar mass, to the total mass budget of the cluster. When compared with the outcomes of cosmological N-body simulations, our results point to a lack of massive subhalos in the inner regions of simulated clusters with total masses similar to that of MACS J0416.1–2403. Our findings of the location and shape of the cluster dark-matter halo density profiles and on the cluster substructures provide
Garcia Lopez, Sebastian; Kim, Philip M.
2014-01-01
Advances in sequencing have led to a rapid accumulation of mutations, some of which are associated with diseases. However, to draw mechanistic conclusions, a biochemical understanding of these mutations is necessary. For coding mutations, accurate prediction of significant changes in either the stability of proteins or their affinity to their binding partners is required. Traditional methods have used semi-empirical force fields, while newer methods employ machine learning of sequence and structural features. Here, we show how combining both of these approaches leads to a marked boost in accuracy. We introduce ELASPIC, a novel ensemble machine learning approach that is able to predict stability effects upon mutation in both, domain cores and domain-domain interfaces. We combine semi-empirical energy terms, sequence conservation, and a wide variety of molecular details with a Stochastic Gradient Boosting of Decision Trees (SGB-DT) algorithm. The accuracy of our predictions surpasses existing methods by a considerable margin, achieving correlation coefficients of 0.77 for stability, and 0.75 for affinity predictions. Notably, we integrated homology modeling to enable proteome-wide prediction and show that accurate prediction on modeled structures is possible. Lastly, ELASPIC showed significant differences between various types of disease-associated mutations, as well as between disease and common neutral mutations. Unlike pure sequence-based prediction methods that try to predict phenotypic effects of mutations, our predictions unravel the molecular details governing the protein instability, and help us better understand the molecular causes of diseases. PMID:25243403
Zobeck, T.M.; Parker, N.C.; Haskell, S.; Guoding, K.
2000-01-01
Factors that affect wind erosion such as surface vegetative and other cover, soil properties and surface roughness usually change spatially and temporally at the field-scale to produce important field-scale variations in wind erosion. Accurate estimation of wind erosion when scaling up from fields to regions, while maintaining meaningful field-scale process details, remains a challenge. The objectives of this study were to evaluate the feasibility of using a field-scale wind erosion model with a geographic information system (GIS) to scale up to regional levels and to quantify the differences in wind erosion estimates produced by different scales of soil mapping used as a data layer in the model. A GIS was used in combination with the revised wind erosion equation (RWEQ), a field-scale wind erosion model, to estimate wind erosion for two 50 km2 areas. Landsat Thematic Mapper satellite imagery from 1993 with 30 m resolution was used as a base map. The GIS database layers included land use, soils, and other features such as roads. The major land use was agricultural fields. Data on 1993 crop management for selected fields of each crop type were collected from local government agency offices and used to 'train' the computer to classify land areas by crop and type of irrigation (agroecosystem) using commercially available software. The land area of the agricultural land uses was overestimated by 6.5% in one region (Lubbock County, TX, USA) and underestimated by about 21% in an adjacent region (Terry County, TX, USA). The total estimated wind erosion potential for Terry County was about four times that estimated for adjacent Lubbock County. The difference in potential erosion among the counties was attributed to regional differences in surface soil texture. In a comparison of different soil map scales in Terry County, the generalised soil map had over 20% more of the land area and over 15% greater erosion potential in loamy sand soils than did the detailed soil map. As
Dynamic updating atlas for heart segmentation with a nonlinear field-based model.
Cai, Ken; Yang, Rongqian; Yue, Hongwei; Li, Lihua; Ou, Shanxing; Liu, Feng
2017-09-01
Segmentation of cardiac computed tomography (CT) images is an effective method for assessing the dynamic function of the heart and lungs. In the atlas-based heart segmentation approach, the quality of segmentation usually relies upon atlas images, and the selection of those reference images is a key step. The optimal goal in this selection process is to have the reference images as close to the target image as possible. This study proposes an atlas dynamic update algorithm using a scheme of nonlinear deformation field. The proposed method is based on the features among double-source CT (DSCT) slices. The extraction of these features will form a base to construct an average model and the created reference atlas image is updated during the registration process. A nonlinear field-based model was used to effectively implement a 4D cardiac segmentation. The proposed segmentation framework was validated with 14 4D cardiac CT sequences. The algorithm achieved an acceptable accuracy (1.0-2.8 mm). Our proposed method that combines a nonlinear field-based model and dynamic updating atlas strategies can provide an effective and accurate way for whole heart segmentation. The success of the proposed method largely relies on the effective use of the prior knowledge of the atlas and the similarity explored among the to-be-segmented DSCT sequences. Copyright © 2016 John Wiley & Sons, Ltd.
NASA Astrophysics Data System (ADS)
Schneider, Daniel; Schoof, Ephraim; Tschukin, Oleg; Reiter, Andreas; Herrmann, Christoph; Schwab, Felix; Selzer, Michael; Nestler, Britta
2018-03-01
Computational models based on the phase-field method have become an essential tool in material science and physics in order to investigate materials with complex microstructures. The models typically operate on a mesoscopic length scale resolving structural changes of the material and provide valuable information about the evolution of microstructures and mechanical property relations. For many interesting and important phenomena, such as martensitic phase transformation, mechanical driving forces play an important role in the evolution of microstructures. In order to investigate such physical processes, an accurate calculation of the stresses and the strain energy in the transition region is indispensable. We recall a multiphase-field elasticity model based on the force balance and the Hadamard jump condition at the interface. We show the quantitative characteristics of the model by comparing the stresses, strains and configurational forces with theoretical predictions in two-phase cases and with results from sharp interface calculations in a multiphase case. As an application, we choose the martensitic phase transformation process in multigrain systems and demonstrate the influence of the local homogenization scheme within the transition regions on the resulting microstructures.
An accurate and efficient laser-envelope solver for the modeling of laser-plasma accelerators
Benedetti, C.; Schroeder, C. B.; Geddes, C. G. R.; ...
2017-10-17
Detailed and reliable numerical modeling of laser-plasma accelerators (LPAs), where a short and intense laser pulse interacts with an underdense plasma over distances of up to a meter, is a formidably challenging task. This is due to the great disparity among the length scales involved in the modeling, ranging from the micron scale of the laser wavelength to the meter scale of the total laser-plasma interaction length. The use of the time-averaged ponderomotive force approximation, where the laser pulse is described by means of its envelope, enables efficient modeling of LPAs by removing the need to model the details ofmore » electron motion at the laser wavelength scale. Furthermore, it allows simulations in cylindrical geometry which captures relevant 3D physics at 2D computational cost. A key element of any code based on the time-averaged ponderomotive force approximation is the laser envelope solver. In this paper we present the accurate and efficient envelope solver used in the code INF & RNO (INtegrated Fluid & paRticle simulatioN cOde). The features of the INF & RNO laser solver enable an accurate description of the laser pulse evolution deep into depletion even at a reasonably low resolution, resulting in significant computational speed-ups.« less
An accurate and efficient laser-envelope solver for the modeling of laser-plasma accelerators
DOE Office of Scientific and Technical Information (OSTI.GOV)
Benedetti, C.; Schroeder, C. B.; Geddes, C. G. R.
Detailed and reliable numerical modeling of laser-plasma accelerators (LPAs), where a short and intense laser pulse interacts with an underdense plasma over distances of up to a meter, is a formidably challenging task. This is due to the great disparity among the length scales involved in the modeling, ranging from the micron scale of the laser wavelength to the meter scale of the total laser-plasma interaction length. The use of the time-averaged ponderomotive force approximation, where the laser pulse is described by means of its envelope, enables efficient modeling of LPAs by removing the need to model the details ofmore » electron motion at the laser wavelength scale. Furthermore, it allows simulations in cylindrical geometry which captures relevant 3D physics at 2D computational cost. A key element of any code based on the time-averaged ponderomotive force approximation is the laser envelope solver. In this paper we present the accurate and efficient envelope solver used in the code INF & RNO (INtegrated Fluid & paRticle simulatioN cOde). The features of the INF & RNO laser solver enable an accurate description of the laser pulse evolution deep into depletion even at a reasonably low resolution, resulting in significant computational speed-ups.« less
An accurate and efficient laser-envelope solver for the modeling of laser-plasma accelerators
NASA Astrophysics Data System (ADS)
Benedetti, C.; Schroeder, C. B.; Geddes, C. G. R.; Esarey, E.; Leemans, W. P.
2018-01-01
Detailed and reliable numerical modeling of laser-plasma accelerators (LPAs), where a short and intense laser pulse interacts with an underdense plasma over distances of up to a meter, is a formidably challenging task. This is due to the great disparity among the length scales involved in the modeling, ranging from the micron scale of the laser wavelength to the meter scale of the total laser-plasma interaction length. The use of the time-averaged ponderomotive force approximation, where the laser pulse is described by means of its envelope, enables efficient modeling of LPAs by removing the need to model the details of electron motion at the laser wavelength scale. Furthermore, it allows simulations in cylindrical geometry which captures relevant 3D physics at 2D computational cost. A key element of any code based on the time-averaged ponderomotive force approximation is the laser envelope solver. In this paper we present the accurate and efficient envelope solver used in the code INF&RNO (INtegrated Fluid & paRticle simulatioN cOde). The features of the INF&RNO laser solver enable an accurate description of the laser pulse evolution deep into depletion even at a reasonably low resolution, resulting in significant computational speed-ups.
The CHAOS-4 geomagnetic field model
NASA Astrophysics Data System (ADS)
Olsen, Nils; Lühr, Hermann; Finlay, Christopher C.; Sabaka, Terence J.; Michaelis, Ingo; Rauberg, Jan; Tøffner-Clausen, Lars
2014-05-01
We present CHAOS-4, a new version in the CHAOS model series, which aims to describe the Earth's magnetic field with high spatial and temporal resolution. Terms up to spherical degree of at least n = 85 for the lithospheric field, and up to n = 16 for the time-varying core field are robustly determined. More than 14 yr of data from the satellites Ørsted, CHAMP and SAC-C, augmented with magnetic observatory monthly mean values have been used for this model. Maximum spherical harmonic degree of the static (lithospheric) field is n = 100. The core field is expressed by spherical harmonic expansion coefficients up to n = 20; its time-evolution is described by order six splines, with 6-month knot spacing, spanning the time interval 1997.0-2013.5. The third time derivative of the squared radial magnetic field component is regularized at the core-mantle boundary. No spatial regularization is applied to the core field, but the high-degree lithospheric field is regularized for n > 85. CHAOS-4 model is derived by merging two submodels: its low-degree part has been derived using similar model parametrization and data sets as used for previous CHAOS models (but of course including more recent data), while its high-degree lithospheric field part is solely determined from low-altitude CHAMP satellite observations taken during the last 2 yr (2008 September-2010 September) of the mission. We obtain a good agreement with other recent lithospheric field models like MF7 for degrees up to n = 85, confirming that lithospheric field structures down to a horizontal wavelength of 500 km are currently robustly determined.
Field Scale Spatial Modelling of Surface Soil Quality Attributes in Controlled Traffic Farming
NASA Astrophysics Data System (ADS)
Guenette, Kris; Hernandez-Ramirez, Guillermo
2017-04-01
The employment of controlled traffic farming (CTF) can yield improvements to soil quality attributes through the confinement of equipment traffic to tramlines with the field. There is a need to quantify and explain the spatial heterogeneity of soil quality attributes affected by CTF to further improve our understanding and modelling ability of field scale soil dynamics. Soil properties such as available nitrogen (AN), pH, soil total nitrogen (STN), soil organic carbon (SOC), bulk density, macroporosity, soil quality S-Index, plant available water capacity (PAWC) and unsaturated hydraulic conductivity (Km) were analysed and compared among trafficked and un-trafficked areas. We contrasted standard geostatistical methods such as ordinary kriging (OK) and covariate kriging (COK) as well as the hybrid method of regression kriging (ROK) to predict the spatial distribution of soil properties across two annual cropland sites actively employing CTF in Alberta, Canada. Field scale variability was quantified more accurately through the inclusion of covariates; however, the use of ROK was shown to improve model accuracy despite the regression model composition limiting the robustness of the ROK method. The exclusion of traffic from the un-trafficked areas displayed significant improvements to bulk density, macroporosity and Km while subsequently enhancing AN, STN and SOC. The ability of the regression models and the ROK method to account for spatial trends led to the highest goodness-of-fit and lowest error achieved for the soil physical properties, as the rigid traffic regime of CTF altered their spatial distribution at the field scale. Conversely, the COK method produced the most optimal predictions for the soil nutrient properties and Km. The use of terrain covariates derived from light ranging and detection (LiDAR), such as of elevation and topographic position index (TPI), yielded the best models in the COK method at the field scale.
The Swarm Initial Field Model for the 2014 Geomagnetic Field
NASA Technical Reports Server (NTRS)
Olsen, Nils; Hulot, Gauthier; Lesur, Vincent; Finlay, Christopher C.; Beggan, Ciaran; Chulliat, Arnaud; Sabaka, Terence J.; Floberghagen, Rune; Friis-Christensen, Eigil; Haagmans, Roger
2015-01-01
Data from the first year of ESA's Swarm constellation mission are used to derive the Swarm Initial Field Model (SIFM), a new model of the Earth's magnetic field and its time variation. In addition to the conventional magnetic field observations provided by each of the three Swarm satellites, explicit advantage is taken of the constellation aspect by including east-west magnetic intensity gradient information from the lower satellite pair. Along-track differences in magnetic intensity provide further information concerning the north-south gradient. The SIFM static field shows excellent agreement (up to at least degree 60) with recent field models derived from CHAMP data, providing an initial validation of the quality of the Swarm magnetic measurements. Use of gradient data improves the determination of both the static field and its secular variation, with the mean misfit for east-west intensity differences between the lower satellite pair being only 0.12 nT.
Modelling the excitation field of an optical resonator
NASA Astrophysics Data System (ADS)
Romanini, Daniele
2014-06-01
Assuming the paraxial approximation, we derive efficient recursive expressions for the projection coefficients of a Gaussian beam over the Gauss--Hermite transverse electro-magnetic (TEM) modes of an optical cavity. While previous studies considered cavities with cylindrical symmetry, our derivation accounts for "simple" astigmatism and ellipticity, which allows to deal with more realistic optical systems. The resulting expansion of the Gaussian beam over the cavity TEM modes provides accurate simulation of the excitation field distribution inside the cavity, in transmission, and in reflection. In particular, this requires including counter-propagating TEM modes, usually neglected in textbooks. As an illustrative application to a complex case, we simulate reentrant cavity configurations where Herriott spots are obtained at cavity output. We show that the case of an astigmatic cavity is also easily modelled. To our knowledge, such relevant applications are usually treated under the simplified geometrical optics approximation, or using heavier numerical methods.
A time accurate prediction of the viscous flow in a turbine stage including a rotor in motion
NASA Astrophysics Data System (ADS)
Shavalikul, Akamol
In this current study, the flow field in the Pennsylvania State University Axial Flow Turbine Research Facility (AFTRF) was simulated. This study examined four sets of simulations. The first two sets are for an individual NGV and for an individual rotor. The last two sets use a multiple reference frames approach for a complete turbine stage with two different interface models: a steady circumferential average approach called a mixing plane model, and a time accurate flow simulation approach called a sliding mesh model. The NGV passage flow field was simulated using a three-dimensional Reynolds Averaged Navier-Stokes finite volume solver (RANS) with a standard kappa -- epsilon turbulence model. The mean flow distributions on the NGV surfaces and endwall surfaces were computed. The numerical solutions indicate that two passage vortices begin to be observed approximately at the mid axial chord of the NGV suction surface. The first vortex is a casing passage vortex which occurs at the corner formed by the NGV suction surface and the casing. This vortex is created by the interaction of the passage flow and the radially inward flow, while the second vortex, the hub passage vortex, is observed near the hub. These two vortices become stronger towards the NGV trailing edge. By comparing the results from the X/Cx = 1.025 plane and the X/Cx = 1.09 plane, it can be concluded that the NGV wake decays rapidly within a short axial distance downstream of the NGV. For the rotor, a set of simulations was carried out to examine the flow fields associated with different pressure side tip extension configurations, which are designed to reduce the tip leakage flow. The simulation results show that significant reductions in tip leakage mass flow rate and aerodynamic loss reduction are possible by using suitable tip platform extensions located near the pressure side corner of the blade tip. The computations used realistic turbine rotor inlet flow conditions in a linear cascade arrangement
NASA Astrophysics Data System (ADS)
Chavanis, Pierre-Henri
2014-05-01
We discuss the dynamics and thermodynamics of the Brownian mean field (BMF) model which is a system of N Brownian particles moving on a circle and interacting via a cosine potential. It can be viewed as the canonical version of the Hamiltonian mean field (HMF) model. The BMF model displays a second order phase transition from a homogeneous phase to an inhomogeneous phase below a critical temperature T c = 1 / 2. We first complete the description of this model in the mean field approximation valid for N → +∞. In the strong friction limit, the evolution of the density towards the mean field Boltzmann distribution is governed by the mean field Smoluchowski equation. For T < T c , this equation describes a process of self-organization from a non-magnetized (homogeneous) phase to a magnetized (inhomogeneous) phase. We obtain an analytical expression for the temporal evolution of the magnetization close to T c . Then, we take fluctuations (finite N effects) into account. The evolution of the density is governed by the stochastic Smoluchowski equation. From this equation, we derive a stochastic equation for the magnetization and study its properties both in the homogenous and inhomogeneous phase. We show that the fluctuations diverge at the critical point so that the mean field approximation ceases to be valid. Actually, the limits N → +∞ and T → T c do not commute. The validity of the mean field approximation requires N( T - T c ) → +∞ so that N must be larger and larger as T approaches T c . We show that the direction of the magnetization changes rapidly close to T c while its amplitude takes a long time to relax. We also indicate that, for systems with long-range interactions, the lifetime of metastable states scales as e N except close to a critical point. The BMF model shares many analogies with other systems of Brownian particles with long-range interactions such as self-gravitating Brownian particles, the Keller-Segel model describing the chemotaxis
Double Cluster Heads Model for Secure and Accurate Data Fusion in Wireless Sensor Networks
Fu, Jun-Song; Liu, Yun
2015-01-01
Secure and accurate data fusion is an important issue in wireless sensor networks (WSNs) and has been extensively researched in the literature. In this paper, by combining clustering techniques, reputation and trust systems, and data fusion algorithms, we propose a novel cluster-based data fusion model called Double Cluster Heads Model (DCHM) for secure and accurate data fusion in WSNs. Different from traditional clustering models in WSNs, two cluster heads are selected after clustering for each cluster based on the reputation and trust system and they perform data fusion independently of each other. Then, the results are sent to the base station where the dissimilarity coefficient is computed. If the dissimilarity coefficient of the two data fusion results exceeds the threshold preset by the users, the cluster heads will be added to blacklist, and the cluster heads must be reelected by the sensor nodes in a cluster. Meanwhile, feedback is sent from the base station to the reputation and trust system, which can help us to identify and delete the compromised sensor nodes in time. Through a series of extensive simulations, we found that the DCHM performed very well in data fusion security and accuracy. PMID:25608211
NASA Astrophysics Data System (ADS)
Galopeau, P. H. M.
2017-12-01
Since the insertion of Cassini in the Saturnian system in July 2004, the radio and plasma wave science (RPWS) experiment on board the spacecraft revealed the presence of two distinct and variable rotation periods in the Saturnian kilometric radiation (SKR) which were attributed to the northern and southern hemispheres respectively. The present study is based on the hypothesis that the periodic time modulations present in the SKR are mainly due to the rotation of Saturn's inner magnetic field. The existence of a double period implies that the inner field is not only limited to a simple rotation dipole but displays more complex structures having the same time periodicities than the radio emission. In order to build a model of this complex magnetic field, it is absolutely necessary to know the accurate phases of rotation linked with the two periods. The radio observations from the RPWS experiment allow a continuous and accurate follow-up of these rotation phases, since the SKR emission is permanently observable and produced very close to the planetary surface. A continuous wavelet transform analysis of the intensity of the SKR signal received at 290 kHz between July 2004 and June 2012 was performed in order to calculate in the same time the different periodicities and phases. The rotation phases associated to the main two periods allow us to define a North and South longitude system essential for such a study. In this context, a dipole model ("birotor dipole") was proposed for Saturn's inner magnetic field: this dipole presents the particularity to have North and South poles rotating around Saturn's axis at two different angular velocities; this dipole is tilted and not centered. 57 Cassini's revolutions, the periapsis of which is less than 5 Saturnian radii, have been selected for this study. For each of these chosen orbits, it is possible to fit with high precision the measurements of the MAG data experiment given by the magnetometers embarked on board Cassini. A
Achieving perceptually-accurate aural telepresence
NASA Astrophysics Data System (ADS)
Henderson, Paul D.
Immersive multimedia requires not only realistic visual imagery but also a perceptually-accurate aural experience. A sound field may be presented simultaneously to a listener via a loudspeaker rendering system using the direct sound from acoustic sources as well as a simulation or "auralization" of room acoustics. Beginning with classical Wave-Field Synthesis (WFS), improvements are made to correct for asymmetries in loudspeaker array geometry. Presented is a new Spatially-Equalized WFS (SE-WFS) technique to maintain the energy-time balance of a simulated room by equalizing the reproduced spectrum at the listener for a distribution of possible source angles. Each reproduced source or reflection is filtered according to its incidence angle to the listener. An SE-WFS loudspeaker array of arbitrary geometry reproduces the sound field of a room with correct spectral and temporal balance, compared with classically-processed WFS systems. Localization accuracy of human listeners in SE-WFS sound fields is quantified by psychoacoustical testing. At a loudspeaker spacing of 0.17 m (equivalent to an aliasing cutoff frequency of 1 kHz), SE-WFS exhibits a localization blur of 3 degrees, nearly equal to real point sources. Increasing the loudspeaker spacing to 0.68 m (for a cutoff frequency of 170 Hz) results in a blur of less than 5 degrees. In contrast, stereophonic reproduction is less accurate with a blur of 7 degrees. The ventriloquist effect is psychometrically investigated to determine the effect of an intentional directional incongruence between audio and video stimuli. Subjects were presented with prerecorded full-spectrum speech and motion video of a talker's head as well as broadband noise bursts with a static image. The video image was displaced from the audio stimulus in azimuth by varying amounts, and the perceived auditory location measured. A strong bias was detectable for small angular discrepancies between audio and video stimuli for separations of less than 8
Testing and modelling of the SVOM MXT narrow field lobster-eye telescope
NASA Astrophysics Data System (ADS)
Feldman, Charlotte; Pearson, James; Willingale, Richard; Sykes, John; Drumm, Paul; Houghton, Paul; Bicknell, Chris; Osborne, Julian; Martindale, Adrian; O'Brien, Paul; Fairbend, Ray; Schyns, Emile; Petit, Sylvain; Roudot, Romain; Mercier, Karine; Le Duigou, Jean-Michel; Gotz, Diego
2017-08-01
The Space-based multi-band astronomical Variable Objects Monitor (SVOM) is a French-Chinese space mission to be launched in 2021 with the goal of studying gamma-ray bursts, the most powerful stellar explosions in the Universe. The Microchannel X-ray Telescope (MXT) on-board SVOM, is an X-ray focusing telescope with a detector-limited field of view of ˜1 square° , working in the 0.2-10 keV energy band. The MXT is a narrow-field-optimised lobster eye telescope, designed to promptly detect and accurately locate gamma-ray bursts afterglows. The breadboard MXT optic comprises of an array of square pore micro pore optics (MPOs) which are slumped to a spherical radius of 2 m giving a focal length of 1 m and an intrinsic field of view of ˜6° . We present details of the baseline design and results from the ongoing X-ray tests of the breadboard and structural thermal model MPOs performed at the University of Leicester and at Panter. In addition, we present details of modelling and analysis which reveals the factors that limit the angular resolution, characteristics of the point spread function and the efficiency and collecting area of the currently available MPOs.
NASA Astrophysics Data System (ADS)
de Léséleuc, Sylvain; Weber, Sebastian; Lienhard, Vincent; Barredo, Daniel; Büchler, Hans Peter; Lahaye, Thierry; Browaeys, Antoine
2018-03-01
We study a system of atoms that are laser driven to n D3 /2 Rydberg states and assess how accurately they can be mapped onto spin-1 /2 particles for the quantum simulation of anisotropic Ising magnets. Using nonperturbative calculations of the pair potentials between two atoms in the presence of electric and magnetic fields, we emphasize the importance of a careful selection of experimental parameters in order to maintain the Rydberg blockade and avoid excitation of unwanted Rydberg states. We benchmark these theoretical observations against experiments using two atoms. Finally, we show that in these conditions, the experimental dynamics observed after a quench is in good agreement with numerical simulations of spin-1 /2 Ising models in systems with up to 49 spins, for which numerical simulations become intractable.
Accurate segmentation framework for the left ventricle wall from cardiac cine MRI
NASA Astrophysics Data System (ADS)
Sliman, H.; Khalifa, F.; Elnakib, A.; Soliman, A.; Beache, G. M.; Gimel'farb, G.; Emam, A.; Elmaghraby, A.; El-Baz, A.
2013-10-01
We propose a novel, fast, robust, bi-directional coupled parametric deformable model to segment the left ventricle (LV) wall borders using first- and second-order visual appearance features. These features are embedded in a new stochastic external force that preserves the topology of LV wall to track the evolution of the parametric deformable models control points. To accurately estimate the marginal density of each deformable model control point, the empirical marginal grey level distributions (first-order appearance) inside and outside the boundary of the deformable model are modeled with adaptive linear combinations of discrete Gaussians (LCDG). The second order visual appearance of the LV wall is accurately modeled with a new rotationally invariant second-order Markov-Gibbs random field (MGRF). We tested the proposed segmentation approach on 15 data sets in 6 infarction patients using the Dice similarity coefficient (DSC) and the average distance (AD) between the ground truth and automated segmentation contours. Our approach achieves a mean DSC value of 0.926±0.022 and AD value of 2.16±0.60 compared to two other level set methods that achieve 0.904±0.033 and 0.885±0.02 for DSC; and 2.86±1.35 and 5.72±4.70 for AD, respectively.
Full field reservoir modelling of Central Oman gas/condensate fields
DOE Office of Scientific and Technical Information (OSTI.GOV)
Leemput, L.E.C. van de; Bertram, D.A.; Bentley, M.R.
1995-12-31
Gas reserves sufficient for a major export scheme have been found in Central Oman. To support appraisal and development planning of the gas/condensate fields, a dedicated, multi-disciplinary study team comprising both surface and subsurface engineers was assembled. The team fostered a high level of awareness of cross-disciplinary needs and challenges, resulting in timely data acquisition and a good fit between the various work-activities. The foundation of the subsurface contributions was a suite of advanced full-field reservoir models which: (1) provided production and well requirement forecasts; (2) quantified the impact of uncertainties on field performance and project costs; (3) supported themore » appraisal campaign; (4) optimised the field development plan; and (5) derived recovery factor ranges for reserves estimates. Geological/petrophysical uncertainties were quantified using newly-developed, 3-D probabilistic modelling tools. An efficient computing environment allowed a large number of sensitivities to be run in a timely, cost-effective manner. The models also investigated a key concern in gas/condensate fields: well impairment due to near-well condensate precipitation. Its impact was assessed using measured, capillary number-dependent, relative permeability curves. Well performance ranges were established on the basis of Equation of State single-well. simulations, and translated into the volatile oil full-field models using pseudo relative permeability curves for the wells. The models used the sparse available data in an optimal way and, as part of the field development plan, sustained confidence in the reserves estimates and the project, which is currently in the project specification phase.« less
A hamster model for Marburg virus infection accurately recapitulates Marburg hemorrhagic fever
Marzi, Andrea; Banadyga, Logan; Haddock, Elaine; Thomas, Tina; Shen, Kui; Horne, Eva J.; Scott, Dana P.; Feldmann, Heinz; Ebihara, Hideki
2016-01-01
Marburg virus (MARV), a close relative of Ebola virus, is the causative agent of a severe human disease known as Marburg hemorrhagic fever (MHF). No licensed vaccine or therapeutic exists to treat MHF, and MARV is therefore classified as a Tier 1 select agent and a category A bioterrorism agent. In order to develop countermeasures against this severe disease, animal models that accurately recapitulate human disease are required. Here we describe the development of a novel, uniformly lethal Syrian golden hamster model of MHF using a hamster-adapted MARV variant Angola. Remarkably, this model displayed almost all of the clinical features of MHF seen in humans and non-human primates, including coagulation abnormalities, hemorrhagic manifestations, petechial rash, and a severely dysregulated immune response. This MHF hamster model represents a powerful tool for further dissecting MARV pathogenesis and accelerating the development of effective medical countermeasures against human MHF. PMID:27976688
A hamster model for Marburg virus infection accurately recapitulates Marburg hemorrhagic fever.
Marzi, Andrea; Banadyga, Logan; Haddock, Elaine; Thomas, Tina; Shen, Kui; Horne, Eva J; Scott, Dana P; Feldmann, Heinz; Ebihara, Hideki
2016-12-15
Marburg virus (MARV), a close relative of Ebola virus, is the causative agent of a severe human disease known as Marburg hemorrhagic fever (MHF). No licensed vaccine or therapeutic exists to treat MHF, and MARV is therefore classified as a Tier 1 select agent and a category A bioterrorism agent. In order to develop countermeasures against this severe disease, animal models that accurately recapitulate human disease are required. Here we describe the development of a novel, uniformly lethal Syrian golden hamster model of MHF using a hamster-adapted MARV variant Angola. Remarkably, this model displayed almost all of the clinical features of MHF seen in humans and non-human primates, including coagulation abnormalities, hemorrhagic manifestations, petechial rash, and a severely dysregulated immune response. This MHF hamster model represents a powerful tool for further dissecting MARV pathogenesis and accelerating the development of effective medical countermeasures against human MHF.
Developments in deep brain stimulation using time dependent magnetic fields
NASA Astrophysics Data System (ADS)
Crowther, L. J.; Nlebedim, I. C.; Jiles, D. C.
2012-04-01
The effect of head model complexity upon the strength of field in different brain regions for transcranial magnetic stimulation (TMS) has been investigated. Experimental measurements were used to verify the validity of magnetic field calculations and induced electric field calculations for three 3D human head models of varying complexity. Results show the inability for simplified head models to accurately determine the site of high fields that lead to neuronal stimulation and highlight the necessity for realistic head modeling for TMS applications.
Developments in deep brain stimulation using time dependent magnetic fields
DOE Office of Scientific and Technical Information (OSTI.GOV)
Crowther, L.J.; Nlebedim, I.C.; Jiles, D.C.
2012-03-07
The effect of head model complexity upon the strength of field in different brain regions for transcranial magnetic stimulation (TMS) has been investigated. Experimental measurements were used to verify the validity of magnetic field calculations and induced electric field calculations for three 3D human head models of varying complexity. Results show the inability for simplified head models to accurately determine the site of high fields that lead to neuronal stimulation and highlight the necessity for realistic head modeling for TMS applications.
Chuine, Isabelle; Bonhomme, Marc; Legave, Jean-Michel; García de Cortázar-Atauri, Iñaki; Charrier, Guillaume; Lacointe, André; Améglio, Thierry
2016-10-01
The onset of the growing season of trees has been earlier by 2.3 days per decade during the last 40 years in temperate Europe because of global warming. The effect of temperature on plant phenology is, however, not linear because temperature has a dual effect on bud development. On one hand, low temperatures are necessary to break bud endodormancy, and, on the other hand, higher temperatures are necessary to promote bud cell growth afterward. Different process-based models have been developed in the last decades to predict the date of budbreak of woody species. They predict that global warming should delay or compromise endodormancy break at the species equatorward range limits leading to a delay or even impossibility to flower or set new leaves. These models are classically parameterized with flowering or budbreak dates only, with no information on the endodormancy break date because this information is very scarce. Here, we evaluated the efficiency of a set of phenological models to accurately predict the endodormancy break dates of three fruit trees. Our results show that models calibrated solely with budbreak dates usually do not accurately predict the endodormancy break date. Providing endodormancy break date for the model parameterization results in much more accurate prediction of this latter, with, however, a higher error than that on budbreak dates. Most importantly, we show that models not calibrated with endodormancy break dates can generate large discrepancies in forecasted budbreak dates when using climate scenarios as compared to models calibrated with endodormancy break dates. This discrepancy increases with mean annual temperature and is therefore the strongest after 2050 in the southernmost regions. Our results claim for the urgent need of massive measurements of endodormancy break dates in forest and fruit trees to yield more robust projections of phenological changes in a near future. © 2016 John Wiley & Sons Ltd.
Multiscale Methods for Accurate, Efficient, and Scale-Aware Models of the Earth System
DOE Office of Scientific and Technical Information (OSTI.GOV)
Goldhaber, Steve; Holland, Marika
The major goal of this project was to contribute improvements to the infrastructure of an Earth System Model in order to support research in the Multiscale Methods for Accurate, Efficient, and Scale-Aware models of the Earth System project. In support of this, the NCAR team accomplished two main tasks: improving input/output performance of the model and improving atmospheric model simulation quality. Improvement of the performance and scalability of data input and diagnostic output within the model required a new infrastructure which can efficiently handle the unstructured grids common in multiscale simulations. This allows for a more computationally efficient model, enablingmore » more years of Earth System simulation. The quality of the model simulations was improved by reducing grid-point noise in the spectral element version of the Community Atmosphere Model (CAM-SE). This was achieved by running the physics of the model using grid-cell data on a finite-volume grid.« less
Millimeter radiation from a 3D model of the solar atmosphere. II. Chromospheric magnetic field
NASA Astrophysics Data System (ADS)
Loukitcheva, M.; White, S. M.; Solanki, S. K.; Fleishman, G. D.; Carlsson, M.
2017-05-01
Aims: We use state-of-the-art, three-dimensional non-local thermodynamic equilibrium (non-LTE) radiative magnetohydrodynamic simulations of the quiet solar atmosphere to carry out detailed tests of chromospheric magnetic field diagnostics from free-free radiation at millimeter and submillimeter wavelengths (mm/submm). Methods: The vertical component of the magnetic field was deduced from the mm/submm brightness spectra and the degree of circular polarization synthesized at millimeter frequencies. We used the frequency bands observed by the Atacama Large Millimeter/Submillimeter Array (ALMA) as a convenient reference. The magnetic field maps obtained describe the longitudinal magnetic field at the effective formation heights of the relevant wavelengths in the solar chromosphere. Results: The comparison of the deduced and model chromospheric magnetic fields at the spatial resolution of both the model and current observations demonstrates a good correlation, but has a tendency to underestimate the model field. The systematic discrepancy of about 10% is probably due to averaging of the restored field over the heights contributing to the radiation, weighted by the strength of the contribution. On the whole, the method of probing the longitudinal component of the magnetic field with free-free emission at mm/submm wavelengths is found to be applicable to measurements of the weak quiet-Sun magnetic fields. However, successful exploitation of this technique requires very accurate measurements of the polarization properties (primary beam and receiver polarization response) of the antennas, which will be the principal factor that determines the level to which chromospheric magnetic fields can be measured. Conclusions: Consequently, high-resolution and high-precision observations of circularly polarized radiation at millimeter wavelengths can be a powerful tool for producing chromospheric longitudinal magnetograms.
Load Model Verification, Validation and Calibration Framework by Statistical Analysis on Field Data
NASA Astrophysics Data System (ADS)
Jiao, Xiangqing; Liao, Yuan; Nguyen, Thai
2017-11-01
Accurate load models are critical for power system analysis and operation. A large amount of research work has been done on load modeling. Most of the existing research focuses on developing load models, while little has been done on developing formal load model verification and validation (V&V) methodologies or procedures. Most of the existing load model validation is based on qualitative rather than quantitative analysis. In addition, not all aspects of model V&V problem have been addressed by the existing approaches. To complement the existing methods, this paper proposes a novel load model verification and validation framework that can systematically and more comprehensively examine load model's effectiveness and accuracy. Statistical analysis, instead of visual check, quantifies the load model's accuracy, and provides a confidence level of the developed load model for model users. The analysis results can also be used to calibrate load models. The proposed framework can be used as a guidance to systematically examine load models for utility engineers and researchers. The proposed method is demonstrated through analysis of field measurements collected from a utility system.
NASA Astrophysics Data System (ADS)
Mozzoni, D. T.; Cain, J. C.; Lillis, R. J.
2012-12-01
Because no further projects are planned to better define the global magnetic field about Mars, it is important to utilize present the Mars Global Surveyor (MGS) Magnetometer/Electron Reflectometer (MAG/ER) data to its fullest. Challenges in deriving an accurate model include the fact that the mapping orbit of MGS was limited to two local times, and also had a narrow distribution of data ranging from only southern latitudes below 350 km to only northern latitudes over 400 km. The aerobraking and science phasing orbit data below 350 km down to near 100 km was nearly all on the sunlit side with its strong distortions from the solar wind and embedded ionospheric currents. The improvement reported herein is from the addition of the projected total field evaluated at 185 km above the areoid. These data are derived from extrapolation of the pitch angle distributions of ER data to the reflection altitudes and adjustment to a common data altitude. Crucial to this analysis is the angular distribution of the magnetic field itself below MGS. Thus it was an iterative process whereby the 185 km data sets were recalculated based on the last iterative solutions from the magnetic field models derived including these data. The statistical improvements at the ER mapped altitudes after 5 iterations was to reduce the initial 2.0 nT sigma differences with a Gaussian spread of 20 nT to 0.5 nT and a spread of 12 nT. Unfortunately, many areas of very high field especially provided no data as they were on closed field lines. However, the iterative solutions also improved the 185 km scalar maps significantly from the original based on linear field line estimates, up to several hundred nT. The next step planned is to utilize the concept suggested by Connerney to use along-track gradients, especially those at lowest altitudes on the dayside, to input to the model sets. Preliminary tests indicate the possibility of added improvements in the missing ER data areas once this technique is perfected.
Wang, Shiyao; Deng, Zhidong; Yin, Gang
2016-01-01
A high-performance differential global positioning system (GPS) receiver with real time kinematics provides absolute localization for driverless cars. However, it is not only susceptible to multipath effect but also unable to effectively fulfill precise error correction in a wide range of driving areas. This paper proposes an accurate GPS–inertial measurement unit (IMU)/dead reckoning (DR) data fusion method based on a set of predictive models and occupancy grid constraints. First, we employ a set of autoregressive and moving average (ARMA) equations that have different structural parameters to build maximum likelihood models of raw navigation. Second, both grid constraints and spatial consensus checks on all predictive results and current measurements are required to have removal of outliers. Navigation data that satisfy stationary stochastic process are further fused to achieve accurate localization results. Third, the standard deviation of multimodal data fusion can be pre-specified by grid size. Finally, we perform a lot of field tests on a diversity of real urban scenarios. The experimental results demonstrate that the method can significantly smooth small jumps in bias and considerably reduce accumulated position errors due to DR. With low computational complexity, the position accuracy of our method surpasses existing state-of-the-arts on the same dataset and the new data fusion method is practically applied in our driverless car. PMID:26927108
Wang, Shiyao; Deng, Zhidong; Yin, Gang
2016-02-24
A high-performance differential global positioning system (GPS) receiver with real time kinematics provides absolute localization for driverless cars. However, it is not only susceptible to multipath effect but also unable to effectively fulfill precise error correction in a wide range of driving areas. This paper proposes an accurate GPS-inertial measurement unit (IMU)/dead reckoning (DR) data fusion method based on a set of predictive models and occupancy grid constraints. First, we employ a set of autoregressive and moving average (ARMA) equations that have different structural parameters to build maximum likelihood models of raw navigation. Second, both grid constraints and spatial consensus checks on all predictive results and current measurements are required to have removal of outliers. Navigation data that satisfy stationary stochastic process are further fused to achieve accurate localization results. Third, the standard deviation of multimodal data fusion can be pre-specified by grid size. Finally, we perform a lot of field tests on a diversity of real urban scenarios. The experimental results demonstrate that the method can significantly smooth small jumps in bias and considerably reduce accumulated position errors due to DR. With low computational complexity, the position accuracy of our method surpasses existing state-of-the-arts on the same dataset and the new data fusion method is practically applied in our driverless car.
Accurate Magnetometer/Gyroscope Attitudes Using a Filter with Correlated Sensor Noise
NASA Technical Reports Server (NTRS)
Sedlak, J.; Hashmall, J.
1997-01-01
Magnetometers and gyroscopes have been shown to provide very accurate attitudes for a variety of spacecraft. These results have been obtained, however, using a batch-least-squares algorithm and long periods of data. For use in onboard applications, attitudes are best determined using sequential estimators such as the Kalman filter. When a filter is used to determine attitudes using magnetometer and gyroscope data for input, the resulting accuracy is limited by both the sensor accuracies and errors inherent in the Earth magnetic field model. The Kalman filter accounts for the random component by modeling the magnetometer and gyroscope errors as white noise processes. However, even when these tuning parameters are physically realistic, the rate biases (included in the state vector) have been found to show systematic oscillations. These are attributed to the field model errors. If the gyroscope noise is sufficiently small, the tuned filter 'memory' will be long compared to the orbital period. In this case, the variations in the rate bias induced by field model errors are substantially reduced. Mistuning the filter to have a short memory time leads to strongly oscillating rate biases and increased attitude errors. To reduce the effect of the magnetic field model errors, these errors are estimated within the filter and used to correct the reference model. An exponentially-correlated noise model is used to represent the filter estimate of the systematic error. Results from several test cases using in-flight data from the Compton Gamma Ray Observatory are presented. These tests emphasize magnetometer errors, but the method is generally applicable to any sensor subject to a combination of random and systematic noise.
Application of a groundwater flow model for real-time well field management - lessons learned
NASA Astrophysics Data System (ADS)
Marti, B.; Kaiser, H.-P.; Kuhlmann, U.; Hendricks Franssen, H.-J.; Kinzelbach, W.
2012-04-01
The Hardhof well field, which lies in the city of Zurich, Switzerland, provides roughly 15 % of the towns drinking water demand from the Limmat valley aquifer. Groundwater and river filtrate are withdrawn in four large horizontal wells, each with a capacity of up to 48'000 m3 per day. The well field is threatened by potential pollution from leachate of a nearby land fill, possible accidents on the adjacent rail and road lines, and by diffuse pollution from former industrial sites and sewers located upstream of the well field. A line of recharge wells and basins forms a hydraulic barrier against the potentially contaminated water and increases the capacity of the well field. Currently, a genetic algorithm coupled to a 3-dimensional groundwater flow model is applied at the well field to determine optimal infiltration rates on a daily basis. This real-time control is based on particle backtracking in a quasi-stationary flow field. It estimates the origin of the water in the four horizontal wells and calculates the amount of potentially contaminated water in each well. Running the model iteratively and refining the parameters of the genetic algorithm at the end of each step yields the recommended daily infiltration rates. The current model accurately predicts the change of piezometric head due to changes in the river stage. However, during periods of large abstraction rates, the model underestimates the piezometric heads in the Hardhof area. In addition, the infiltration rates suggested by the control do not always agree with the experience of the Zurich water works (e.g. during periods with large abstraction rates) and hence the actually applied infiltration rates are sometimes chosen differently from the calculated ones. This work analyzes the performance of the model and the control during the year 2011. The computed heads of the on-line model are compared to the measured piezometric heads in over 80 measurement locations in the model area. Furthermore, differences
Multiconjugate adaptive optics applied to an anatomically accurate human eye model.
Bedggood, P A; Ashman, R; Smith, G; Metha, A B
2006-09-04
Aberrations of both astronomical telescopes and the human eye can be successfully corrected with conventional adaptive optics. This produces diffraction-limited imagery over a limited field of view called the isoplanatic patch. A new technique, known as multiconjugate adaptive optics, has been developed recently in astronomy to increase the size of this patch. The key is to model atmospheric turbulence as several flat, discrete layers. A human eye, however, has several curved, aspheric surfaces and a gradient index lens, complicating the task of correcting aberrations over a wide field of view. Here we utilize a computer model to determine the degree to which this technology may be applied to generate high resolution, wide-field retinal images, and discuss the considerations necessary for optimal use with the eye. The Liou and Brennan schematic eye simulates the aspheric surfaces and gradient index lens of real human eyes. We show that the size of the isoplanatic patch of the human eye is significantly increased through multiconjugate adaptive optics.
NASA Astrophysics Data System (ADS)
Kopparla, P.; Natraj, V.; Shia, R. L.; Spurr, R. J. D.; Crisp, D.; Yung, Y. L.
2015-12-01
Radiative transfer (RT) computations form the engine of atmospheric retrieval codes. However, full treatment of RT processes is computationally expensive, prompting usage of two-stream approximations in current exoplanetary atmospheric retrieval codes [Line et al., 2013]. Natraj et al. [2005, 2010] and Spurr and Natraj [2013] demonstrated the ability of a technique using principal component analysis (PCA) to speed up RT computations. In the PCA method for RT performance enhancement, empirical orthogonal functions are developed for binned sets of inherent optical properties that possess some redundancy; costly multiple-scattering RT calculations are only done for those few optical states corresponding to the most important principal components, and correction factors are applied to approximate radiation fields. Kopparla et al. [2015, in preparation] extended the PCA method to a broadband spectral region from the ultraviolet to the shortwave infrared (0.3-3 micron), accounting for major gas absorptions in this region. Here, we apply the PCA method to a some typical (exo-)planetary retrieval problems. Comparisons between the new model, called Universal Principal Component Analysis Radiative Transfer (UPCART) model, two-stream models and line-by-line RT models are performed, for spectral radiances, spectral fluxes and broadband fluxes. Each of these are calculated at the top of the atmosphere for several scenarios with varying aerosol types, extinction and scattering optical depth profiles, and stellar and viewing geometries. We demonstrate that very accurate radiance and flux estimates can be obtained, with better than 1% accuracy in all spectral regions and better than 0.1% in most cases, as compared to a numerically exact line-by-line RT model. The accuracy is enhanced when the results are convolved to typical instrument resolutions. The operational speed and accuracy of UPCART can be further improved by optimizing binning schemes and parallelizing the codes, work
Yu, Chanki; Lee, Sang Wook
2016-05-20
We present a reliable and accurate global optimization framework for estimating parameters of isotropic analytical bidirectional reflectance distribution function (BRDF) models. This approach is based on a branch and bound strategy with linear programming and interval analysis. Conventional local optimization is often very inefficient for BRDF estimation since its fitting quality is highly dependent on initial guesses due to the nonlinearity of analytical BRDF models. The algorithm presented in this paper employs L1-norm error minimization to estimate BRDF parameters in a globally optimal way and interval arithmetic to derive our feasibility problem and lower bounding function. Our method is developed for the Cook-Torrance model but with several normal distribution functions such as the Beckmann, Berry, and GGX functions. Experiments have been carried out to validate the presented method using 100 isotropic materials from the MERL BRDF database, and our experimental results demonstrate that the L1-norm minimization provides a more accurate and reliable solution than the L2-norm minimization.
Pre-Modeling Ensures Accurate Solid Models
ERIC Educational Resources Information Center
Gow, George
2010-01-01
Successful solid modeling requires a well-organized design tree. The design tree is a list of all the object's features and the sequential order in which they are modeled. The solid-modeling process is faster and less prone to modeling errors when the design tree is a simple and geometrically logical definition of the modeled object. Few high…
NASA Astrophysics Data System (ADS)
De Geeter, N.; Crevecoeur, G.; Leemans, A.; Dupré, L.
2015-01-01
In transcranial magnetic stimulation (TMS), an applied alternating magnetic field induces an electric field in the brain that can interact with the neural system. It is generally assumed that this induced electric field is the crucial effect exciting a certain region of the brain. More specifically, it is the component of this field parallel to the neuron’s local orientation, the so-called effective electric field, that can initiate neuronal stimulation. Deeper insights on the stimulation mechanisms can be acquired through extensive TMS modelling. Most models study simple representations of neurons with assumed geometries, whereas we embed realistic neural trajectories computed using tractography based on diffusion tensor images. This way of modelling ensures a more accurate spatial distribution of the effective electric field that is in addition patient and case specific. The case study of this paper focuses on the single pulse stimulation of the left primary motor cortex with a standard figure-of-eight coil. Including realistic neural geometry in the model demonstrates the strong and localized variations of the effective electric field between the tracts themselves and along them due to the interplay of factors such as the tract’s position and orientation in relation to the TMS coil, the neural trajectory and its course along the white and grey matter interface. Furthermore, the influence of changes in the coil orientation is studied. Investigating the impact of tissue anisotropy confirms that its contribution is not negligible. Moreover, assuming isotropic tissues lead to errors of the same size as rotating or tilting the coil with 10 degrees. In contrast, the model proves to be less sensitive towards the not well-known tissue conductivity values.
NASA Astrophysics Data System (ADS)
Yang, Zili
2017-07-01
Heart segmentation is an important auxiliary method in the diagnosis of many heart diseases, such as coronary heart disease and atrial fibrillation, and in the planning of tumor radiotherapy. Most of the existing methods for full heart segmentation treat the heart as a whole part and cannot accurately extract the bottom of the heart. In this paper, we propose a new method based on linear gradient model to segment the whole heart from the CT images automatically and accurately. Twelve cases were tested in order to test this method and accurate segmentation results were achieved and identified by clinical experts. The results can provide reliable clinical support.
Accurate reliability analysis method for quantum-dot cellular automata circuits
NASA Astrophysics Data System (ADS)
Cui, Huanqing; Cai, Li; Wang, Sen; Liu, Xiaoqiang; Yang, Xiaokuo
2015-10-01
Probabilistic transfer matrix (PTM) is a widely used model in the reliability research of circuits. However, PTM model cannot reflect the impact of input signals on reliability, so it does not completely conform to the mechanism of the novel field-coupled nanoelectronic device which is called quantum-dot cellular automata (QCA). It is difficult to get accurate results when PTM model is used to analyze the reliability of QCA circuits. To solve this problem, we present the fault tree models of QCA fundamental devices according to different input signals. After that, the binary decision diagram (BDD) is used to quantitatively investigate the reliability of two QCA XOR gates depending on the presented models. By employing the fault tree models, the impact of input signals on reliability can be identified clearly and the crucial components of a circuit can be found out precisely based on the importance values (IVs) of components. So this method is contributive to the construction of reliable QCA circuits.
C-field cosmological models: revisited
NASA Astrophysics Data System (ADS)
Yadav, Anil Kumar; Tawfiq Ali, Ahmad; Ray, Saibal; Rahaman, Farook; Hossain Sardar, Iftikar
2016-12-01
We investigate plane symmetric spacetime filled with perfect fluid in the C-field cosmology of Hoyle and Narlikar. A new class of exact solutions has been obtained by considering the creation field C as a function of time only. To get the deterministic solution, it has been assumed that the rate of creation of matter-energy density is proportional to the strength of the existing C-field energy density. Several physical aspects and geometrical properties of the models are discussed in detail, especially showing that some of our solutions of C-field cosmology are free from singularity in contrast to the Big Bang cosmology. A comparative study has been carried out between two models, one singular and the other nonsingular, by contrasting the behaviour of the physical parameters. We note that the model in a unique way represents both the features of the accelerating as well as decelerating universe depending on the parameters and thus seems to provide glimpses of the oscillating or cyclic model of the universe without invoking any other agent or theory in allowing cyclicity.
Geomagnetic main field modeling using magnetohydrodynamic constraints
NASA Technical Reports Server (NTRS)
Estes, R. H.
1985-01-01
The influence of physical constraints are investigated which may be approximately satisfied by the Earth's liquid core on models of the geomagnetic main field and its secular variation. A previous report describes the methodology used to incorporate nonlinear equations of constraint into the main field model. The application of that methodology to the GSFC 12/83 field model to test the frozen-flux hypothesis and the usefulness of incorporating magnetohydrodynamic constraints for obtaining improved geomagnetic field models is described.
NASA Astrophysics Data System (ADS)
Cardarelli, Gene A.
The primary goal in radiation oncology is to deliver lethal radiation doses to tumors, while minimizing dose to normal tissue. IMRT has the capability to increase the dose to the targets and decrease the dose to normal tissue, increasing local control, decrease toxicity and allow for effective dose escalation. This advanced technology does present complex dose distributions that are not easily verified. Furthermore, the dose inhomogeneity caused by non-uniform dose distributions seen in IMRT treatments has caused the development of biological models attempting to characterize the dose-volume effect in the response of organized tissues to radiation. Dosimetry of small fields can be quite challenging when measuring dose distributions for high-energy X-ray beams used in IMRT. The proper modeling of these small field distributions is essential in reproducing accurate dose for IMRT. This evaluation was conducted to quantify the effects of small field dosimetry on IMRT plan dose distributions and the effects on four biological model parameters. The four biological models evaluated were: (1) the generalized Equivalent Uniform Dose (gEUD), (2) the Tumor Control Probability (TCP), (3) the Normal Tissue Complication Probability (NTCP) and (4) the Probability of uncomplicated Tumor Control (P+). These models are used to estimate local control, survival, complications and uncomplicated tumor control. This investigation compares three distinct small field dose algorithms. Dose algorithms were created using film, small ion chamber, and a combination of ion chamber measurements and small field fitting parameters. Due to the nature of uncertainties in small field dosimetry and the dependence of biological models on dose volume information, this examination quantifies the effects of small field dosimetry techniques on radiobiological models and recommends pathways to reduce the errors in using these models to evaluate IMRT dose distributions. This study demonstrates the importance
An accurate fatigue damage model for welded joints subjected to variable amplitude loading
NASA Astrophysics Data System (ADS)
Aeran, A.; Siriwardane, S. C.; Mikkelsen, O.; Langen, I.
2017-12-01
Researchers in the past have proposed several fatigue damage models to overcome the shortcomings of the commonly used Miner’s rule. However, requirements of material parameters or S-N curve modifications restricts their practical applications. Also, application of most of these models under variable amplitude loading conditions have not been found. To overcome these restrictions, a new fatigue damage model is proposed in this paper. The proposed model can be applied by practicing engineers using only the S-N curve given in the standard codes of practice. The model is verified with experimentally derived damage evolution curves for C 45 and 16 Mn and gives better agreement compared to previous models. The model predicted fatigue lives are also in better correlation with experimental results compared to previous models as shown in earlier published work by the authors. The proposed model is applied to welded joints subjected to variable amplitude loadings in this paper. The model given around 8% shorter fatigue lives compared to Eurocode given Miner’s rule. This shows the importance of applying accurate fatigue damage models for welded joints.
Weller, Daniel; Shiwakoti, Suvash; Bergholz, Peter; Grohn, Yrjo; Wiedmann, Martin
2015-01-01
Technological advancements, particularly in the field of geographic information systems (GIS), have made it possible to predict the likelihood of foodborne pathogen contamination in produce production environments using geospatial models. Yet, few studies have examined the validity and robustness of such models. This study was performed to test and refine the rules associated with a previously developed geospatial model that predicts the prevalence of Listeria monocytogenes in produce farms in New York State (NYS). Produce fields for each of four enrolled produce farms were categorized into areas of high or low predicted L. monocytogenes prevalence using rules based on a field's available water storage (AWS) and its proximity to water, impervious cover, and pastures. Drag swabs (n = 1,056) were collected from plots assigned to each risk category. Logistic regression, which tested the ability of each rule to accurately predict the prevalence of L. monocytogenes, validated the rules based on water and pasture. Samples collected near water (odds ratio [OR], 3.0) and pasture (OR, 2.9) showed a significantly increased likelihood of L. monocytogenes isolation compared to that for samples collected far from water and pasture. Generalized linear mixed models identified additional land cover factors associated with an increased likelihood of L. monocytogenes isolation, such as proximity to wetlands. These findings validated a subset of previously developed rules that predict L. monocytogenes prevalence in produce production environments. This suggests that GIS and geospatial models can be used to accurately predict L. monocytogenes prevalence on farms and can be used prospectively to minimize the risk of preharvest contamination of produce. PMID:26590280
An investigation of the sound field above the audience in large lecture halls with a scale model.
Kahn, D W; Tichy, J
1986-09-01
Measurements of steady-state sound pressure levels above the audience in large lecture halls show that the classical equation for predicting the sound pressure level is not accurate. The direct field above the seats was measured on a 1:10 scale model and was found to be dependent on the incidence angle and direction of sound propagation across the audience. The reverberant field above the seats in the model was calculated by subtracting the direct field from the measured total field and was found to be dependent on the magnitude and particularly on the placement of absorption. The decrease of sound pressure level versus distance in the total field depends on the angle (controlled by absorption placement) at which the strong reflections are incident upon the audience area. Sound pressure level decreases at a fairly constant rate with distance from the sound source in both the direct and reverberant field, and the decrease rate depends strongly on the absorption placement. The lowest rate of decay occurs when the side walls are absorptive, and both the ceiling and rear wall are reflective. These consequences are discussed with respect to prediction of speech intelligibility.
Calibration of aero-structural reduced order models using full-field experimental measurements
NASA Astrophysics Data System (ADS)
Perez, R.; Bartram, G.; Beberniss, T.; Wiebe, R.; Spottswood, S. M.
2017-03-01
The structural response of hypersonic aircraft panels is a multi-disciplinary problem, where the nonlinear structural dynamics, aerodynamics, and heat transfer models are coupled. A clear understanding of the impact of high-speed flow effects on the structural response, and the potential influence of the structure on the local environment, is needed in order to prevent the design of overly-conservative structures, a common problem in past hypersonic programs. The current work investigates these challenges from a structures perspective. To this end, the first part of this investigation looks at the modeling of the response of a rectangular panel to an external heating source (thermo-structural coupling) where the temperature effect on the structure is obtained from forward looking infrared (FLIR) measurements and the displacement via 3D-digital image correlation (DIC). The second part of the study uses data from a previous series of wind-tunnel experiments, performed to investigate the response of a compliant panel to the effects of high-speed flow, to train a pressure surrogate model. In this case, the panel aero-loading is obtained from fast-response pressure sensitive paint (PSP) measurements, both directly and from the pressure surrogate model. The result of this investigation is the use of full-field experimental measurements to update the structural model and train a computational efficient model of the loading environment. The use of reduced order models, informed by these full-field physical measurements, is a significant step toward the development of accurate simulation models of complex structures that are computationally tractable.
NASA Astrophysics Data System (ADS)
Galanti, Eli; Durante, Daniele; Iess, Luciano; Kaspi, Yohai
2017-04-01
The ongoing Juno spacecraft measurements are improving our knowledge of Jupiter's gravity field. Similarly, the Cassini Grand Finale will improve the gravity estimate of Saturn. The analysis of the Juno and Cassini Doppler data will provide a very accurate reconstruction of spacial gravity variations, but these measurements will be very accurate only over a limited latitudinal range. In order to deduce the full gravity fields of Jupiter and Saturn, additional information needs to be incorporated into the analysis, especially with regards to the planets' wind structures. In this work we propose a new iterative approach for the estimation of Jupiter and Saturn gravity fields, using simulated measurements, a trajectory estimation model, and an adjoint based inverse thermal wind model. Beginning with an artificial gravitational field, the trajectory estimation model is used to obtain the gravitational moments. The solution from the trajectory model is then used as an initial guess for the thermal wind model, and together with an optimization method, the likely penetration depth of the winds is computed, and its uncertainty is evaluated. As a final step, the gravity harmonics solution from the thermal wind model is given back to the trajectory model, along with an estimate of their uncertainties, to be used as a priori for a new calculation of the gravity field. We test this method both for zonal harmonics only and with a full gravity field including tesseral harmonics. The results show that by using this method some of the gravitational moments are fitted better to the `observed' ones, mainly due to the added information from the dynamical model which includes the wind structure and its depth. Thus, it is suggested that the method presented here has the potential of improving the accuracy of the expected gravity moments estimated from the Juno and Cassini radio science experiments.
Magnetic space-based field measurements
NASA Technical Reports Server (NTRS)
Langel, R. A.
1981-01-01
Satellite measurements of the geomagnetic field began with the launch of Sputnik 3 in May 1958 and have continued sporadically in the intervening years. A list of spacecraft that have made significant contributions to an understanding of the near-earth geomagnetic field is presented. A new era in near-earth magnetic field measurements began with NASA's launch of Magsat in October 1979. Attention is given to geomagnetic field modeling, crustal magnetic anomaly studies, and investigations of the inner earth. It is concluded that satellite-based magnetic field measurements make global surveys practical for both field modeling and for the mapping of large-scale crustal anomalies. They are the only practical method of accurately modeling the global secular variation. Magsat is providing a significant contribution, both because of the timeliness of the survey and because its vector measurement capability represents an advance in the technology of such measurements.
Effects of the local structure dependence of evaporation fields on field evaporation behavior
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yao, Lan; Marquis, Emmanuelle A., E-mail: emarq@umich.edu; Withrow, Travis
2015-12-14
Accurate three dimensional reconstructions of atomic positions and full quantification of the information contained in atom probe microscopy data rely on understanding the physical processes taking place during field evaporation of atoms from needle-shaped specimens. However, the modeling framework for atom probe microscopy has only limited quantitative justification. Building on the continuum field models previously developed, we introduce a more physical approach with the selection of evaporation events based on density functional theory calculations. This model reproduces key features observed experimentally in terms of sequence of evaporation, evaporation maps, and depth resolution, and provides insights into the physical limit formore » spatial resolution.« less
Preliminary Phase Field Computational Model Development
DOE Office of Scientific and Technical Information (OSTI.GOV)
Li, Yulan; Hu, Shenyang Y.; Xu, Ke
2014-12-15
This interim report presents progress towards the development of meso-scale models of magnetic behavior that incorporate microstructural information. Modeling magnetic signatures in irradiated materials with complex microstructures (such as structural steels) is a significant challenge. The complexity is addressed incrementally, using the monocrystalline Fe (i.e., ferrite) film as model systems to develop and validate initial models, followed by polycrystalline Fe films, and by more complicated and representative alloys. In addition, the modeling incrementally addresses inclusion of other major phases (e.g., martensite, austenite), minor magnetic phases (e.g., carbides, FeCr precipitates), and minor nonmagnetic phases (e.g., Cu precipitates, voids). The focus ofmore » the magnetic modeling is on phase-field models. The models are based on the numerical solution to the Landau-Lifshitz-Gilbert equation. From the computational standpoint, phase-field modeling allows the simulation of large enough systems that relevant defect structures and their effects on functional properties like magnetism can be simulated. To date, two phase-field models have been generated in support of this work. First, a bulk iron model with periodic boundary conditions was generated as a proof-of-concept to investigate major loop effects of single versus polycrystalline bulk iron and effects of single non-magnetic defects. More recently, to support the experimental program herein using iron thin films, a new model was generated that uses finite boundary conditions representing surfaces and edges. This model has provided key insights into the domain structures observed in magnetic force microscopy (MFM) measurements. Simulation results for single crystal thin-film iron indicate the feasibility of the model for determining magnetic domain wall thickness and mobility in an externally applied field. Because the phase-field model dimensions are limited relative to the size of most specimens used
Accurate and precise determination of isotopic ratios by MC-ICP-MS: a review.
Yang, Lu
2009-01-01
For many decades the accurate and precise determination of isotope ratios has remained a very strong interest to many researchers due to its important applications in earth, environmental, biological, archeological, and medical sciences. Traditionally, thermal ionization mass spectrometry (TIMS) has been the technique of choice for achieving the highest accuracy and precision. However, recent developments in multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) have brought a new dimension to this field. In addition to its simple and robust sample introduction, high sample throughput, and high mass resolution, the flat-topped peaks generated by this technique provide for accurate and precise determination of isotope ratios with precision reaching 0.001%, comparable to that achieved with TIMS. These features, in combination with the ability of the ICP source to ionize nearly all elements in the periodic table, have resulted in an increased use of MC-ICP-MS for such measurements in various sample matrices. To determine accurate and precise isotope ratios with MC-ICP-MS, utmost care must be exercised during sample preparation, optimization of the instrument, and mass bias corrections. Unfortunately, there are inconsistencies and errors evident in many MC-ICP-MS publications, including errors in mass bias correction models. This review examines "state-of-the-art" methodologies presented in the literature for achievement of precise and accurate determinations of isotope ratios by MC-ICP-MS. Some general rules for such accurate and precise measurements are suggested, and calculations of combined uncertainty of the data using a few common mass bias correction models are outlined.
Xu, Xuemiao; Zhang, Huaidong; Han, Guoqiang; Kwan, Kin Chung; Pang, Wai-Man; Fang, Jiaming; Zhao, Gansen
2016-01-01
Exterior orientation parameters’ (EOP) estimation using space resection plays an important role in topographic reconstruction for push broom scanners. However, existing models of space resection are highly sensitive to errors in data. Unfortunately, for lunar imagery, the altitude data at the ground control points (GCPs) for space resection are error-prone. Thus, existing models fail to produce reliable EOPs. Motivated by a finding that for push broom scanners, angular rotations of EOPs can be estimated independent of the altitude data and only involving the geographic data at the GCPs, which are already provided, hence, we divide the modeling of space resection into two phases. Firstly, we estimate the angular rotations based on the reliable geographic data using our proposed mathematical model. Then, with the accurate angular rotations, the collinear equations for space resection are simplified into a linear problem, and the global optimal solution for the spatial position of EOPs can always be achieved. Moreover, a certainty term is integrated to penalize the unreliable altitude data for increasing the error tolerance. Experimental results evidence that our model can obtain more accurate EOPs and topographic maps not only for the simulated data, but also for the real data from Chang’E-1, compared to the existing space resection model. PMID:27077855
Xu, Xuemiao; Zhang, Huaidong; Han, Guoqiang; Kwan, Kin Chung; Pang, Wai-Man; Fang, Jiaming; Zhao, Gansen
2016-04-11
Exterior orientation parameters' (EOP) estimation using space resection plays an important role in topographic reconstruction for push broom scanners. However, existing models of space resection are highly sensitive to errors in data. Unfortunately, for lunar imagery, the altitude data at the ground control points (GCPs) for space resection are error-prone. Thus, existing models fail to produce reliable EOPs. Motivated by a finding that for push broom scanners, angular rotations of EOPs can be estimated independent of the altitude data and only involving the geographic data at the GCPs, which are already provided, hence, we divide the modeling of space resection into two phases. Firstly, we estimate the angular rotations based on the reliable geographic data using our proposed mathematical model. Then, with the accurate angular rotations, the collinear equations for space resection are simplified into a linear problem, and the global optimal solution for the spatial position of EOPs can always be achieved. Moreover, a certainty term is integrated to penalize the unreliable altitude data for increasing the error tolerance. Experimental results evidence that our model can obtain more accurate EOPs and topographic maps not only for the simulated data, but also for the real data from Chang'E-1, compared to the existing space resection model.
A physical data model for fields and agents
NASA Astrophysics Data System (ADS)
de Jong, Kor; de Bakker, Merijn; Karssenberg, Derek
2016-04-01
Two approaches exist in simulation modeling: agent-based and field-based modeling. In agent-based (or individual-based) simulation modeling, the entities representing the system's state are represented by objects, which are bounded in space and time. Individual objects, like an animal, a house, or a more abstract entity like a country's economy, have properties representing their state. In an agent-based model this state is manipulated. In field-based modeling, the entities representing the system's state are represented by fields. Fields capture the state of a continuous property within a spatial extent, examples of which are elevation, atmospheric pressure, and water flow velocity. With respect to the technology used to create these models, the domains of agent-based and field-based modeling have often been separate worlds. In environmental modeling, widely used logical data models include feature data models for point, line and polygon objects, and the raster data model for fields. Simulation models are often either agent-based or field-based, even though the modeled system might contain both entities that are better represented by individuals and entities that are better represented by fields. We think that the reason for this dichotomy in kinds of models might be that the traditional object and field data models underlying those models are relatively low level. We have developed a higher level conceptual data model for representing both non-spatial and spatial objects, and spatial fields (De Bakker et al. 2016). Based on this conceptual data model we designed a logical and physical data model for representing many kinds of data, including the kinds used in earth system modeling (e.g. hydrological and ecological models). The goal of this work is to be able to create high level code and tools for the creation of models in which entities are representable by both objects and fields. Our conceptual data model is capable of representing the traditional feature data
NASA Astrophysics Data System (ADS)
Loncich, Kristen Teczar
Bat echolocation strategies and neural processing of acoustic information, with a focus on cluttered environments, is investigated in this study. How a bat processes the dense field of echoes received while navigating and foraging in the dark is not well understood. While several models have been developed to describe the mechanisms behind bat echolocation, most are based in mathematics rather than biology, and focus on either peripheral or neural processing---not exploring how these two levels of processing are vitally connected. Current echolocation models also do not use habitat specific acoustic input, or account for field observations of echolocation strategies. Here, a new approach to echolocation modeling is described capturing the full picture of echolocation from signal generation to a neural picture of the acoustic scene. A biologically inspired echolocation model is developed using field research measurements of the interpulse interval timing used by a frequency modulating (FM) bat in the wild, with a whole method approach to modeling echolocation including habitat specific acoustic inputs, a biologically accurate peripheral model of sound processing by the outer, middle, and inner ear, and finally a neural model incorporating established auditory pathways and neuron types with echolocation adaptations. Field recordings analyzed underscore bat sonar design differences observed in the laboratory and wild, and suggest a correlation between interpulse interval groupings and increased clutter. The scenario model provides habitat and behavior specific echoes and is a useful tool for both modeling and behavioral studies, and the peripheral and neural model show that spike-time information and echolocation specific neuron types can produce target localization in the midbrain.
Evaluation of eight short-term long-range transport models using field data
NASA Astrophysics Data System (ADS)
Carhart, R. A.; Policastro, A. J.; Wastag, M.; Coke, L.
Eight short-term long-range transport models (MESOPUFF, MESOPLUME, MSPUFF, MESOPUFF II, MTDDIS, ARRPA, RADM and RTM-II) have been tested with field data from two data bases involving tracer releases. The Oklahoma data base involved two separate experiments with measurements taken at 100 and 600 km arcs downwind of a 3-h perfluorocarbon release. The Savannah River Plant data base encompassed 15 experiments with measurements taken over 2-5 days at distances of 28-144 km downwind from a 62 m stack release of Kr-85 gas. Application of the American Meteorological Society statistics to the model/data comparisons showed that six of the eight models predicted within a factor of two of the observed concentrations for all of the following: points paired in space and time, points paired in space only, and for points unpaired in space and time. However, the ratio of the standard deviation of residuals to the average observed value showed improvement as more unpairing was done in the comparison of the models with the data. The statistical comparisons reveal a definite tendency of the models to overpredict plume concentrations. Supplemental graphical comparisons showed that plume concentration overprediction is accompanied with an underprediction of plume spreading, and that a definite time lag is often observed between the time of arrival of the observed plume and the time of arrival of the predicted plume. The causes of model/data discrepancies can be largely traced to inadequate wind field modeling that leads to an incorrect temporal and spatial positioning of the plume, and the use of the Turner [Workbook of atmospheric dispersion estimates. U.S. Dept of H.E.W. Publication 999-AP-26 (1970)] curves to downwind distances beyond which they can accurately represent the scales of atmospheric turbulence. The use of multilayer wind field models and the use of the Heffter [ J. appl. Met.4, 153-156 (1965)] formula for lateral plume dispersion close to the source appear to improve
Initial geomagnetic field model from MAGSAT
NASA Technical Reports Server (NTRS)
Langel, R. A.; Estes, R. H.; Mead, G. D.; Fabiano, E. B.; Lancaster, E. R.
1980-01-01
Magsat data from magnetically quiet days were used to derive a thirteenth degree and order spherical harmonic geomagnetic field model, MGST(3/80). The model utilized both scalar and vector data and fit that data with standard deviations of 8, 52, 55 and 97 nT for the scalar magnitude, B sub r, B sub theta and B sub phi respectively. When compared with earlier models, the Earth's dipole moment continues to decrease at a rate of about 26 nT/year. Evaluation of earlier models with Magsat data shows that the scalar field at the Magsat epoch is best predicted by the POGO(2/72) model but that the AWC/75 and IGS/75 are better for predicting vector fields.
NASA Astrophysics Data System (ADS)
Bolduc, A.; Gauthier, P.-A.; Berry, A.
2017-12-01
While perceptual evaluation and sound quality testing with jury are now recognized as essential parts of acoustical product development, they are rarely implemented with spatial sound field reproduction. Instead, monophonic, stereophonic or binaural presentations are used. This paper investigates the workability and interest of a method to use complete vibroacoustic engineering models for auralization based on 2.5D Wave Field Synthesis (WFS). This method is proposed in order that spatial characteristics such as directivity patterns and direction-of-arrival are part of the reproduced sound field while preserving the model complete formulation that coherently combines frequency and spatial responses. Modifications to the standard 2.5D WFS operators are proposed for extended primary sources, affecting the reference line definition and compensating for out-of-plane elementary primary sources. Reported simulations and experiments of reproductions of two physically-accurate vibroacoustic models of thin plates show that the proposed method allows for an effective reproduction in the horizontal plane: Spatial and frequency domains features are recreated. Application of the method to the sound rendering of a virtual transmission loss measurement setup shows the potential of the method for use in virtual acoustical prototyping for jury testing.
Bednarz, Bryan; Xu, X George
2012-01-01
There is a serious and growing concern about the increased risk of radiation-induced second cancers and late tissue injuries associated with radiation treatment. To better understand and to more accurately quantify non-target organ doses due to scatter and leakage radiation from medical accelerators, a detailed Monte Carlo model of the medical linear accelerator is needed. This paper describes the development and validation of a detailed accelerator model of the Varian Clinac operating at 6 and 18 MV beam energies. Over 100 accelerator components have been defined and integrated using the Monte Carlo code MCNPX. A series of in-field and out-of-field dose validation studies were performed. In-field dose distributions calculated using the accelerator models were tuned to match measurement data that are considered the de facto ‘gold standard’ for the Varian Clinac accelerator provided by the manufacturer. Field sizes of 4 cm × 4 cm, 10 cm × 10 cm, 20 cm × 20 cm and 40 cm × 40 cm were considered. The local difference between calculated and measured dose on the percent depth dose curve was less than 2% for all locations. The local difference between calculated and measured dose on the dose profile curve was less than 2% in the plateau region and less than 2 mm in the penumbra region for all locations. Out-of-field dose profiles were calculated and compared to measurement data for both beam energies for field sizes of 4 cm × 4 cm, 10 cm × 10 cm and 20 cm × 20 cm. For all field sizes considered in this study, the average local difference between calculated and measured dose for the 6 and 18 MV beams was 14 and 16%, respectively. In addition, a method for determining neutron contamination in the 18 MV operating model was validated by comparing calculated in-air neutron fluence with reported calculations and measurements. The average difference between calculated and measured neutron fluence was 20%. As one of the most detailed accelerator models for both in-field
Two dimensional model for coherent synchrotron radiation
NASA Astrophysics Data System (ADS)
Huang, Chengkun; Kwan, Thomas J. T.; Carlsten, Bruce E.
2013-01-01
Understanding coherent synchrotron radiation (CSR) effects in a bunch compressor requires an accurate model accounting for the realistic beam shape and parameters. We extend the well-known 1D CSR analytic model into two dimensions and develop a simple numerical model based on the Liénard-Wiechert formula for the CSR field of a coasting beam. This CSR numerical model includes the 2D spatial dependence of the field in the bending plane and is accurate for arbitrary beam energy. It also removes the singularity in the space charge field calculation present in a 1D model. Good agreement is obtained with 1D CSR analytic result for free electron laser (FEL) related beam parameters but it can also give a more accurate result for low-energy/large spot size beams and off-axis/transient fields. This 2D CSR model can be used for understanding the limitation of various 1D models and for benchmarking fully electromagnetic multidimensional particle-in-cell simulations for self-consistent CSR modeling.
Modeling aeolian dune and dune field evolution
NASA Astrophysics Data System (ADS)
Diniega, Serina
Aeolian sand dune morphologies and sizes are strongly connected to the environmental context and physical processes active since dune formation. As such, the patterns and measurable features found within dunes and dune fields can be interpreted as records of environmental conditions. Using mathematical models of dune and dune field evolution, it should be possible to quantitatively predict dune field dynamics from current conditions or to determine past field conditions based on present-day observations. In this dissertation, we focus on the construction and quantitative analysis of a continuum dune evolution model. We then apply this model towards interpretation of the formative history of terrestrial and martian dunes and dune fields. Our first aim is to identify the controls for the characteristic lengthscales seen in patterned dune fields. Variations in sand flux, binary dune interactions, and topography are evaluated with respect to evolution of individual dunes. Through the use of both quantitative and qualitative multiscale models, these results are then extended to determine the role such processes may play in (de)stabilization of the dune field. We find that sand flux variations and topography generally destabilize dune fields, while dune collisions can yield more similarly-sized dunes. We construct and apply a phenomenological macroscale dune evolution model to then quantitatively demonstrate how dune collisions cause a dune field to evolve into a set of uniformly-sized dunes. Our second goal is to investigate the influence of reversing winds and polar processes in relation to dune slope and morphology. Using numerical experiments, we investigate possible causes of distinctive morphologies seen in Antarctic and martian polar dunes. Finally, we discuss possible model extensions and needed observations that will enable the inclusion of more realistic physical environments in the dune and dune field evolution models. By elucidating the qualitative and
Gravity Field Characterization around Small Bodies
NASA Astrophysics Data System (ADS)
Takahashi, Yu
A small body rendezvous mission requires accurate gravity field characterization for safe, accurate navigation purposes. However, the current techniques of gravity field modeling around small bodies are not achieved to the level of satisfaction. This thesis will address how the process of current gravity field characterization can be made more robust for future small body missions. First we perform the covariance analysis around small bodies via multiple slow flybys. Flyby characterization requires less laborious scheduling than its orbit counterpart, simultaneously reducing the risk of impact into the asteroid's surface. It will be shown that the level of initial characterization that can occur with this approach is no less than the orbit approach. Next, we apply the same technique of gravity field characterization to estimate the spin state of 4179 Touatis, which is a near-Earth asteroid in close to 4:1 resonance with the Earth. The data accumulated from 1992-2008 are processed in a least-squares filter to predict Toutatis' orientation during the 2012 apparition. The center-of-mass offset and the moments of inertia estimated thereof can be used to constrain the internal density distribution within the body. Then, the spin state estimation is developed to a generalized method to estimate the internal density distribution within a small body. The density distribution is estimated from the orbit determination solution of the gravitational coefficients. It will be shown that the surface gravity field reconstructed from the estimated density distribution yields higher accuracy than the conventional gravity field models. Finally, we will investigate two types of relatively unknown gravity fields, namely the interior gravity field and interior spherical Bessel gravity field, in order to investigate how accurately the surface gravity field can be mapped out for proximity operations purposes. It will be shown that these formulations compute the surface gravity field with
The report of the Gravity Field Workshop
NASA Astrophysics Data System (ADS)
Smith, D. E.
1982-04-01
A Gravity Field Workshop was convened to review the actions which could be taken prior to a GRAVSAT mission to improve the Earth's gravity field model. This review focused on the potential improvements in the Earth's gravity field which could be obtained using the current satellite and surface gravity data base. In particular, actions to improve the quality of the gravity field determination through refined measurement corrections, selected data augmentation and a more accurate reprocessing of the data were considered. In addition, recommendations were formulated which define actions which NASA should take to develop the necessary theoretical and computation techniques for gravity model determination and to use these approaches to improve the accuracy of the Earth's gravity model.
Hasnain, Sabeeha; McClendon, Christopher L; Hsu, Monica T; Jacobson, Matthew P; Bandyopadhyay, Pradipta
2014-01-01
A new coarse-grained model of the E. coli cytoplasm is developed by describing the proteins of the cytoplasm as flexible units consisting of one or more spheres that follow Brownian dynamics (BD), with hydrodynamic interactions (HI) accounted for by a mean-field approach. Extensive BD simulations were performed to calculate the diffusion coefficients of three different proteins in the cellular environment. The results are in close agreement with experimental or previously simulated values, where available. Control simulations without HI showed that use of HI is essential to obtain accurate diffusion coefficients. Anomalous diffusion inside the crowded cellular medium was investigated with Fractional Brownian motion analysis, and found to be present in this model. By running a series of control simulations in which various forces were removed systematically, it was found that repulsive interactions (volume exclusion) are the main cause for anomalous diffusion, with a secondary contribution from HI.
Tao, Jianmin; Rappe, Andrew M.
2016-01-20
Due to the absence of the long-range van der Waals (vdW) interaction, conventional density functional theory (DFT) often fails in the description of molecular complexes and solids. In recent years, considerable progress has been made in the development of the vdW correction. However, the vdW correction based on the leading-order coefficient C 6 alone can only achieve limited accuracy, while accurate modeling of higher-order coefficients remains a formidable task, due to the strong non-additivity effect. Here, we apply a model dynamic multipole polarizability within a modified single-frequency approximation to calculate C 8 and C 10 between small molecules. We findmore » that the higher-order vdW coefficients from this model can achieve remarkable accuracy, with mean absolute relative deviations of 5% for C 8 and 7% for C 10. As a result, inclusion of accurate higher-order contributions in the vdW correction will effectively enhance the predictive power of DFT in condensed matter physics and quantum chemistry.« less
A Deep-Structured Conditional Random Field Model for Object Silhouette Tracking
Shafiee, Mohammad Javad; Azimifar, Zohreh; Wong, Alexander
2015-01-01
In this work, we introduce a deep-structured conditional random field (DS-CRF) model for the purpose of state-based object silhouette tracking. The proposed DS-CRF model consists of a series of state layers, where each state layer spatially characterizes the object silhouette at a particular point in time. The interactions between adjacent state layers are established by inter-layer connectivity dynamically determined based on inter-frame optical flow. By incorporate both spatial and temporal context in a dynamic fashion within such a deep-structured probabilistic graphical model, the proposed DS-CRF model allows us to develop a framework that can accurately and efficiently track object silhouettes that can change greatly over time, as well as under different situations such as occlusion and multiple targets within the scene. Experiment results using video surveillance datasets containing different scenarios such as occlusion and multiple targets showed that the proposed DS-CRF approach provides strong object silhouette tracking performance when compared to baseline methods such as mean-shift tracking, as well as state-of-the-art methods such as context tracking and boosted particle filtering. PMID:26313943
METEOROLOGICAL AND TRANSPORT MODELING
Advanced air quality simulation models, such as CMAQ, as well as other transport and dispersion models, require accurate and detailed meteorology fields. These meteorology fields include primary 3-dimensional dynamical and thermodynamical variables (e.g., winds, temperature, mo...
Development and application of accurate analytical models for single active electron potentials
NASA Astrophysics Data System (ADS)
Miller, Michelle; Jaron-Becker, Agnieszka; Becker, Andreas
2015-05-01
The single active electron (SAE) approximation is a theoretical model frequently employed to study scenarios in which inner-shell electrons may productively be treated as frozen spectators to a physical process of interest, and accurate analytical approximations for these potentials are sought as a useful simulation tool. Density function theory is often used to construct a SAE potential, requiring that a further approximation for the exchange correlation functional be enacted. In this study, we employ the Krieger, Li, and Iafrate (KLI) modification to the optimized-effective-potential (OEP) method to reduce the complexity of the problem to the straightforward solution of a system of linear equations through simple arguments regarding the behavior of the exchange-correlation potential in regions where a single orbital dominates. We employ this method for the solution of atomic and molecular potentials, and use the resultant curve to devise a systematic construction for highly accurate and useful analytical approximations for several systems. Supported by the U.S. Department of Energy (Grant No. DE-FG02-09ER16103), and the U.S. National Science Foundation (Graduate Research Fellowship, Grants No. PHY-1125844 and No. PHY-1068706).
Image-optimized Coronal Magnetic Field Models
NASA Astrophysics Data System (ADS)
Jones, Shaela I.; Uritsky, Vadim; Davila, Joseph M.
2017-08-01
We have reported previously on a new method we are developing for using image-based information to improve global coronal magnetic field models. In that work, we presented early tests of the method, which proved its capability to improve global models based on flawed synoptic magnetograms, given excellent constraints on the field in the model volume. In this follow-up paper, we present the results of similar tests given field constraints of a nature that could realistically be obtained from quality white-light coronagraph images of the lower corona. We pay particular attention to difficulties associated with the line-of-sight projection of features outside of the assumed coronagraph image plane and the effect on the outcome of the optimization of errors in the localization of constraints. We find that substantial improvement in the model field can be achieved with these types of constraints, even when magnetic features in the images are located outside of the image plane.
Image-optimized Coronal Magnetic Field Models
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jones, Shaela I.; Uritsky, Vadim; Davila, Joseph M., E-mail: shaela.i.jones-mecholsky@nasa.gov, E-mail: shaela.i.jonesmecholsky@nasa.gov
We have reported previously on a new method we are developing for using image-based information to improve global coronal magnetic field models. In that work, we presented early tests of the method, which proved its capability to improve global models based on flawed synoptic magnetograms, given excellent constraints on the field in the model volume. In this follow-up paper, we present the results of similar tests given field constraints of a nature that could realistically be obtained from quality white-light coronagraph images of the lower corona. We pay particular attention to difficulties associated with the line-of-sight projection of features outsidemore » of the assumed coronagraph image plane and the effect on the outcome of the optimization of errors in the localization of constraints. We find that substantial improvement in the model field can be achieved with these types of constraints, even when magnetic features in the images are located outside of the image plane.« less
Image-Optimized Coronal Magnetic Field Models
NASA Technical Reports Server (NTRS)
Jones, Shaela I.; Uritsky, Vadim; Davila, Joseph M.
2017-01-01
We have reported previously on a new method we are developing for using image-based information to improve global coronal magnetic field models. In that work we presented early tests of the method which proved its capability to improve global models based on flawed synoptic magnetograms, given excellent constraints on the field in the model volume. In this follow-up paper we present the results of similar tests given field constraints of a nature that could realistically be obtained from quality white-light coronagraph images of the lower corona. We pay particular attention to difficulties associated with the line-of-sight projection of features outside of the assumed coronagraph image plane, and the effect on the outcome of the optimization of errors in localization of constraints. We find that substantial improvement in the model field can be achieved with this type of constraints, even when magnetic features in the images are located outside of the image plane.
Imaging Plasmonic Fields with Atomic Spatiotemporal Resolution
NASA Astrophysics Data System (ADS)
Li, Jianxiong; Saydanzad, Erfan; Thumm, Uwe
2018-06-01
We propose a scheme for the reconstruction of plasmonic near fields at isolated nanoparticles from infrared-streaked extreme-ultraviolet photoemission spectra. Based on quantum-mechanically modeled spectra, we demonstrate and analyze the accurate imaging of the IR-streaking-pulse-induced transient plasmonic fields at the surface of gold nanospheres and nanoshells with subfemtosecond temporal and subnanometer spatial resolution.
Chakraborty, Pritam; Zhang, Yongfeng; Tonks, Michael R.
2015-12-07
In this study, the fracture behavior of brittle materials is strongly influenced by their underlying microstructure that needs explicit consideration for accurate prediction of fracture properties and the associated scatter. In this work, a hierarchical multi-scale approach is pursued to model microstructure sensitive brittle fracture. A quantitative phase-field based fracture model is utilized to capture the complex crack growth behavior in the microstructure and the related parameters are calibrated from lower length scale atomistic simulations instead of engineering scale experimental data. The workability of this approach is demonstrated by performing porosity dependent intergranular fracture simulations in UO 2 and comparingmore » the predictions with experiments.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Chakraborty, Pritam; Zhang, Yongfeng; Tonks, Michael R.
In this study, the fracture behavior of brittle materials is strongly influenced by their underlying microstructure that needs explicit consideration for accurate prediction of fracture properties and the associated scatter. In this work, a hierarchical multi-scale approach is pursued to model microstructure sensitive brittle fracture. A quantitative phase-field based fracture model is utilized to capture the complex crack growth behavior in the microstructure and the related parameters are calibrated from lower length scale atomistic simulations instead of engineering scale experimental data. The workability of this approach is demonstrated by performing porosity dependent intergranular fracture simulations in UO 2 and comparingmore » the predictions with experiments.« less
NASA Astrophysics Data System (ADS)
Moro, Juliano; Denardini, Clezio Marcos; Resende, Laysa Cristina Araújo; Chen, Sony Su; Schuch, Nelson Jorge
2016-06-01
Daytime E-region electric fields play a crucial role in the ionospheric dynamics at the geomagnetic dip latitudes. Due to their importance, there is an interest in accurately measuring and modeling the electric fields for both climatological and near real-time studies. In this work, we present the daytime vertical ( Ez) and eastward ( Ey) electric fields for a reference quiet day (February 7, 2001) at the São Luís Space Observatory, Brazil (SLZ, 2.31°S, 44.16°W). The component Ez is inferred from Doppler shifts of type II echoes (gradient drift instability) and the anisotropic factor, which is computed from ion and electron gyro frequencies as well as ion and electron collision frequencies with neutral molecules. The component Ey depends on the ratio of Hall and Pedersen conductivities and Ez. A magnetic field-line-integrated conductivity model is used to obtain the anisotropic factor for calculating Ez and the ionospheric conductivities for calculating Ey. This model uses the NRLMSISE-00, IRI-2007, and IGRF-11 empirical models as input parameters for neutral atmosphere, ionosphere, and geomagnetic field, respectively. Consequently, it is worth determining the uncertainties (or errors) in Ey and Ez associated with these empirical model outputs in order to precisely define the confidence limit for the estimated electric field components. For this purpose, errors of ±10 % were artificially introduced in the magnitude of each empirical model output before estimating Ey and Ez. The corresponding uncertainties in the ionospheric conductivity and electric field are evaluated considering the individual and cumulative contribution of the artificial errors. The results show that the neutral densities and temperature may be responsible for the largest changes in Ey and Ez, followed by changes in the geomagnetic field intensity and electron and ions compositions.
Nishimoto, Shinji; Gallant, Jack L.
2012-01-01
Area MT has been an important target for studies of motion processing. However, previous neurophysiological studies of MT have used simple stimuli that do not contain many of the motion signals that occur during natural vision. In this study we sought to determine whether views of area MT neurons developed using simple stimuli can account for MT responses under more naturalistic conditions. We recorded responses from macaque area MT neurons during stimulation with naturalistic movies. We then used a quantitative modeling framework to discover which specific mechanisms best predict neuronal responses under these challenging conditions. We find that the simplest model that accurately predicts responses of MT neurons consists of a bank of V1-like filters, each followed by a compressive nonlinearity, a divisive nonlinearity and linear pooling. Inspection of the fit models shows that the excitatory receptive fields of MT neurons tend to lie on a single plane within the three-dimensional spatiotemporal frequency domain, and suppressive receptive fields lie off this plane. However, most excitatory receptive fields form a partial ring in the plane and avoid low temporal frequencies. This receptive field organization ensures that most MT neurons are tuned for velocity but do not tend to respond to ambiguous static textures that are aligned with the direction of motion. In sum, MT responses to naturalistic movies are largely consistent with predictions based on simple stimuli. However, models fit using naturalistic stimuli reveal several novel properties of MT receptive fields that had not been shown in prior experiments. PMID:21994372
Cross hole GPR traveltime inversion using a fast and accurate neural network as a forward model
NASA Astrophysics Data System (ADS)
Mejer Hansen, Thomas
2017-04-01
Probabilistic formulated inverse problems can be solved using Monte Carlo based sampling methods. In principle both advanced prior information, such as based on geostatistics, and complex non-linear forward physical models can be considered. However, in practice these methods can be associated with huge computational costs that in practice limit their application. This is not least due to the computational requirements related to solving the forward problem, where the physical response of some earth model has to be evaluated. Here, it is suggested to replace a numerical complex evaluation of the forward problem, with a trained neural network that can be evaluated very fast. This will introduce a modeling error, that is quantified probabilistically such that it can be accounted for during inversion. This allows a very fast and efficient Monte Carlo sampling of the solution to an inverse problem. We demonstrate the methodology for first arrival travel time inversion of cross hole ground-penetrating radar (GPR) data. An accurate forward model, based on 2D full-waveform modeling followed by automatic travel time picking, is replaced by a fast neural network. This provides a sampling algorithm three orders of magnitude faster than using the full forward model, and considerably faster, and more accurate, than commonly used approximate forward models. The methodology has the potential to dramatically change the complexity of the types of inverse problems that can be solved using non-linear Monte Carlo sampling techniques.
Rapcsak, Steven Z; Henry, Maya L; Teague, Sommer L; Carnahan, Susan D; Beeson, Pélagie M
2007-06-18
Coltheart and co-workers [Castles, A., Bates, T. C., & Coltheart, M. (2006). John Marshall and the developmental dyslexias. Aphasiology, 20, 871-892; Coltheart, M., Rastle, K., Perry, C., Langdon, R., & Ziegler, J. (2001). DRC: A dual route cascaded model of visual word recognition and reading aloud. Psychological Review, 108, 204-256] have demonstrated that an equation derived from dual-route theory accurately predicts reading performance in young normal readers and in children with reading impairment due to developmental dyslexia or stroke. In this paper, we present evidence that the dual-route equation and a related multiple regression model also accurately predict both reading and spelling performance in adult neurological patients with acquired alexia and agraphia. These findings provide empirical support for dual-route theories of written language processing.
A label field fusion bayesian model and its penalized maximum rand estimator for image segmentation.
Mignotte, Max
2010-06-01
This paper presents a novel segmentation approach based on a Markov random field (MRF) fusion model which aims at combining several segmentation results associated with simpler clustering models in order to achieve a more reliable and accurate segmentation result. The proposed fusion model is derived from the recently introduced probabilistic Rand measure for comparing one segmentation result to one or more manual segmentations of the same image. This non-parametric measure allows us to easily derive an appealing fusion model of label fields, easily expressed as a Gibbs distribution, or as a nonstationary MRF model defined on a complete graph. Concretely, this Gibbs energy model encodes the set of binary constraints, in terms of pairs of pixel labels, provided by each segmentation results to be fused. Combined with a prior distribution, this energy-based Gibbs model also allows for definition of an interesting penalized maximum probabilistic rand estimator with which the fusion of simple, quickly estimated, segmentation results appears as an interesting alternative to complex segmentation models existing in the literature. This fusion framework has been successfully applied on the Berkeley image database. The experiments reported in this paper demonstrate that the proposed method is efficient in terms of visual evaluation and quantitative performance measures and performs well compared to the best existing state-of-the-art segmentation methods recently proposed in the literature.
Terrain Models in Field Geology Courses.
ERIC Educational Resources Information Center
Whittecar, G. Richard
1984-01-01
Describes a terrain model for geologic mapping which, when combined with exercises in rock description, Brunton compass manipulation, orienteering, and geologic report writing, allows students to refine skills needed for summer field camp. Advantages and limitations of the model and its use in a field course are also discussed. (BC)
NASA Astrophysics Data System (ADS)
Zhang, Shunli; Zhang, Dinghua; Gong, Hao; Ghasemalizadeh, Omid; Wang, Ge; Cao, Guohua
2014-11-01
Iterative algorithms, such as the algebraic reconstruction technique (ART), are popular for image reconstruction. For iterative reconstruction, the area integral model (AIM) is more accurate for better reconstruction quality than the line integral model (LIM). However, the computation of the system matrix for AIM is more complex and time-consuming than that for LIM. Here, we propose a fast and accurate method to compute the system matrix for AIM. First, we calculate the intersection of each boundary line of a narrow fan-beam with pixels in a recursive and efficient manner. Then, by grouping the beam-pixel intersection area into six types according to the slopes of the two boundary lines, we analytically compute the intersection area of the narrow fan-beam with the pixels in a simple algebraic fashion. Overall, experimental results show that our method is about three times faster than the Siddon algorithm and about two times faster than the distance-driven model (DDM) in computation of the system matrix. The reconstruction speed of our AIM-based ART is also faster than the LIM-based ART that uses the Siddon algorithm and DDM-based ART, for one iteration. The fast reconstruction speed of our method was accomplished without compromising the image quality.
NASA Astrophysics Data System (ADS)
Wang, Xiaoqiang; Ju, Lili; Du, Qiang
2016-07-01
The Willmore flow formulated by phase field dynamics based on the elastic bending energy model has been widely used to describe the shape transformation of biological lipid vesicles. In this paper, we develop and investigate some efficient and stable numerical methods for simulating the unconstrained phase field Willmore dynamics and the phase field Willmore dynamics with fixed volume and surface area constraints. The proposed methods can be high-order accurate and are completely explicit in nature, by combining exponential time differencing Runge-Kutta approximations for time integration with spectral discretizations for spatial operators on regular meshes. We also incorporate novel linear operator splitting techniques into the numerical schemes to improve the discrete energy stability. In order to avoid extra numerical instability brought by use of large penalty parameters in solving the constrained phase field Willmore dynamics problem, a modified augmented Lagrange multiplier approach is proposed and adopted. Various numerical experiments are performed to demonstrate accuracy and stability of the proposed methods.
NASA Technical Reports Server (NTRS)
Alter, Stephen J.; Brauckmann, Gregory J.; Kleb, Bil; Streett, Craig L; Glass, Christopher E.; Schuster, David M.
2015-01-01
Using the Fully Unstructured Three-Dimensional (FUN3D) computational fluid dynamics code, an unsteady, time-accurate flow field about a Space Launch System configuration was simulated at a transonic wind tunnel condition (Mach = 0.9). Delayed detached eddy simulation combined with Reynolds Averaged Naiver-Stokes and a Spallart-Almaras turbulence model were employed for the simulation. Second order accurate time evolution scheme was used to simulate the flow field, with a minimum of 0.2 seconds of simulated time to as much as 1.4 seconds. Data was collected at 480 pressure taps at locations, 139 of which matched a 3% wind tunnel model, tested in the Transonic Dynamic Tunnel (TDT) facility at NASA Langley Research Center. Comparisons between computation and experiment showed agreement within 5% in terms of location for peak RMS levels, and 20% for frequency and magnitude of power spectral densities. Grid resolution and time step sensitivity studies were performed to identify methods for improved accuracy comparisons to wind tunnel data. With limited computational resources, accurate trends for reduced vibratory loads on the vehicle were observed. Exploratory methods such as determining minimized computed errors based on CFL number and sub-iterations, as well as evaluating frequency content of the unsteady pressures and evaluation of oscillatory shock structures were used in this study to enhance computational efficiency and solution accuracy. These techniques enabled development of a set of best practices, for the evaluation of future flight vehicle designs in terms of vibratory loads.
The ITSG-Grace2014 Gravity Field Model
NASA Astrophysics Data System (ADS)
Kvas, Andreas; Mayer-Gürr, Torsten; Zehenter, Norbert; Klinger, Beate
2015-04-01
The ITSG-Grace2014 GRACE-only gravity field model consists of a high resolution unconstrained static model (up to degree 200) with trend and annual signal, monthly unconstrained solutions with different spatial resolutions as well as daily snapshots derived by using a Kalman smoother. Apart from the estimated spherical harmonic coefficients, full variance-covariance matrices for the monthly solutions and the static gravity field component are provided. Compared to the previous release, multiple improvements in the processing chain are implemented: updated background models, better ionospheric modeling for GPS observations, an improved satellite attitude by combination of star camera and angular accelerations, estimation of K-band antenna center variations within the gravity field recovery process as well as error covariance function determination. Furthermore, daily gravity field variations have been modeled in the adjustment process to reduce errors caused by temporal leakage. This combined estimation of daily gravity variations field variations together with the static gravity field component represents a computational challenge due to the significantly increased parameter count. The modeling of daily variations up to a spherical harmonic degree of 40 for the whole GRACE observation period results in a system of linear equations with over 6 million unknown gravity field parameters. A least squares adjustment of this size is not solvable in a sensible time frame, therefore measures to reduce the problem size have to be taken. The ITSG-Grace2014 release is presented and selected parts of the processing chain and their effect on the estimated gravity field solutions are discussed.
Accurate diblock copolymer phase boundaries at strong segregations
NASA Astrophysics Data System (ADS)
Matsen, M. W.; Whitmore, M. D.
1996-12-01
We examine the lamellar/cylinder and cylinder/sphere phase boundaries for strongly segregated diblock copolymer melts using self-consistent-field theory (SCFT) and the standard Gaussian chain model. Calculations are performed with and without the conventional unit-cell approximation (UCA). We find that for strongly segregated melts, the UCA simply produces a small constant shift in each of the phase boundaries. Furthermore, the boundaries are found to be linear at strong segregations when plotted versus (χN)-1, which allows for accurate extrapolations to χN=∞. Our calculations using the UCA allow direct comparisons to strong-segregation theory (SST), which is accepted as the χN=∞ limit of SCFT. A significant discrepancy between the SST and SCFT results indicate otherwise, suggesting that the present formulation of SST is incomplete.
Magnetic space-based field measurements
NASA Technical Reports Server (NTRS)
Langel, R. A.
1981-01-01
Because the near Earth magnetic field is a complex combination of fields from outside the Earth of fields from its core and of fields from its crust, measurements from space prove to be the only practical way to obtain timely, global surveys. Due to difficulty in making accurate vector measurements, early satellites such as Sputnik and Vanguard measured only the magnitude survey. The attitude accuracy was 20 arc sec. Both the Earth's core fields and the fields arising from its crust were mapped from satellite data. The standard model of the core consists of a scalar potential represented by a spherical harmonics series. Models of the crustal field are relatively new. Mathematical representation is achieved in localized areas by arrays of dipoles appropriately located in the Earth's crust. Measurements of the Earth's field are used in navigation, to map charged particles in the magnetosphere, to study fluid properties in the Earth's core, to infer conductivity of the upper mantels, and to delineate regional scale geological features.
NASA Astrophysics Data System (ADS)
Jiang, Jin-Wu
2015-08-01
We propose parametrizing the Stillinger-Weber potential for covalent materials starting from the valence force-field model. All geometrical parameters in the Stillinger-Weber potential are determined analytically according to the equilibrium condition for each individual potential term, while the energy parameters are derived from the valence force-field model. This parametrization approach transfers the accuracy of the valence force field model to the Stillinger-Weber potential. Furthermore, the resulting Stilliinger-Weber potential supports stable molecular dynamics simulations, as each potential term is at an energy-minimum state separately at the equilibrium configuration. We employ this procedure to parametrize Stillinger-Weber potentials for single-layer MoS2 and black phosphorous. The obtained Stillinger-Weber potentials predict an accurate phonon spectrum and mechanical behaviors. We also provide input scripts of these Stillinger-Weber potentials used by publicly available simulation packages including GULP and LAMMPS.
Jiang, Jin-Wu
2015-08-07
We propose parametrizing the Stillinger-Weber potential for covalent materials starting from the valence force-field model. All geometrical parameters in the Stillinger-Weber potential are determined analytically according to the equilibrium condition for each individual potential term, while the energy parameters are derived from the valence force-field model. This parametrization approach transfers the accuracy of the valence force field model to the Stillinger-Weber potential. Furthermore, the resulting Stilliinger-Weber potential supports stable molecular dynamics simulations, as each potential term is at an energy-minimum state separately at the equilibrium configuration. We employ this procedure to parametrize Stillinger-Weber potentials for single-layer MoS2 and black phosphorous. The obtained Stillinger-Weber potentials predict an accurate phonon spectrum and mechanical behaviors. We also provide input scripts of these Stillinger-Weber potentials used by publicly available simulation packages including GULP and LAMMPS.
Wang, Mingyu; Han, Lijuan; Liu, Shasha; Zhao, Xuebing; Yang, Jinghua; Loh, Soh Kheang; Sun, Xiaomin; Zhang, Chenxi; Fang, Xu
2015-09-01
Renewable energy from lignocellulosic biomass has been deemed an alternative to depleting fossil fuels. In order to improve this technology, we aim to develop robust mathematical models for the enzymatic lignocellulose degradation process. By analyzing 96 groups of previously published and newly obtained lignocellulose saccharification results and fitting them to Weibull distribution, we discovered Weibull statistics can accurately predict lignocellulose saccharification data, regardless of the type of substrates, enzymes and saccharification conditions. A mathematical model for enzymatic lignocellulose degradation was subsequently constructed based on Weibull statistics. Further analysis of the mathematical structure of the model and experimental saccharification data showed the significance of the two parameters in this model. In particular, the λ value, defined the characteristic time, represents the overall performance of the saccharification system. This suggestion was further supported by statistical analysis of experimental saccharification data and analysis of the glucose production levels when λ and n values change. In conclusion, the constructed Weibull statistics-based model can accurately predict lignocellulose hydrolysis behavior and we can use the λ parameter to assess the overall performance of enzymatic lignocellulose degradation. Advantages and potential applications of the model and the λ value in saccharification performance assessment were discussed. Copyright © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Johnson, Timothy C.; Wellman, Dawn M.
2015-06-26
Electrical resistivity tomography (ERT) has been widely used in environmental applications to study processes associated with subsurface contaminants and contaminant remediation. Anthropogenic alterations in subsurface electrical conductivity associated with contamination often originate from highly industrialized areas with significant amounts of buried metallic infrastructure. The deleterious influence of such infrastructure on imaging results generally limits the utility of ERT where it might otherwise prove useful for subsurface investigation and monitoring. In this manuscript we present a method of accurately modeling the effects of buried conductive infrastructure within the forward modeling algorithm, thereby removing them from the inversion results. The method ismore » implemented in parallel using immersed interface boundary conditions, whereby the global solution is reconstructed from a series of well-conditioned partial solutions. Forward modeling accuracy is demonstrated by comparison with analytic solutions. Synthetic imaging examples are used to investigate imaging capabilities within a subsurface containing electrically conductive buried tanks, transfer piping, and well casing, using both well casings and vertical electrode arrays as current sources and potential measurement electrodes. Results show that, although accurate infrastructure modeling removes the dominating influence of buried metallic features, the presence of metallic infrastructure degrades imaging resolution compared to standard ERT imaging. However, accurate imaging results may be obtained if electrodes are appropriately located.« less
Aland, Sebastian; Lowengrub, John; Voigt, Axel
2012-10-01
Colloid particles that are partially wetted by two immiscible fluids can become confined to fluid-fluid interfaces. At sufficiently high volume fractions, the colloids may jam and the interface may crystallize. The fluids together with the interfacial colloids form an emulsion with interesting material properties and offer an important route to new soft materials. A promising approach to simulate these emulsions was presented in Aland et al. [Phys. Fluids 23, 062103 (2011)], where a Navier-Stokes-Cahn-Hilliard model for the macroscopic two-phase fluid system was combined with a surface phase-field-crystal model for the microscopic colloidal particles along the interface. Unfortunately this model leads to spurious velocities which require very fine spatial and temporal resolutions to accurately and stably simulate. In this paper we develop an improved Navier-Stokes-Cahn-Hilliard-surface phase-field-crystal model based on the principles of mass conservation and thermodynamic consistency. To validate our approach, we derive a sharp interface model and show agreement with the improved diffuse interface model. Using simple flow configurations, we show that the new model has much better properties and does not lead to spurious velocities. Finally, we demonstrate the solid-like behavior of the crystallized interface by simulating the fall of a solid ball through a colloid-laden multiphase fluid.
NASA Technical Reports Server (NTRS)
Nerem, R. S.; Tapley, B. D.; Shum, C. K.; Yuan, D. N.
1989-01-01
If the geoid and the satellite position are known accurately, satellite altimetry can be used to determine the geostrophic velocity of the surface ocean currents. The purpose of this investigation is to simultaneously estimate the sea surface topography, zeta, the model for the gravity field, and the satellite orbit. Satellite tracking data from fourteen satellites were used; along with Seasat and Geosat altimeter data as well as surface gravity data for the solution. The estimated model of zeta compares well at long wavelengths with the hydrographic model of zeta. Covariance studies show that the geoid is separable from zeta up to degree 9, at which point geoid error becomes comparable to the signal of zeta.
Matsuda, Aya; Hara, Takeshi; Miyata, Kazunori; Matsuo, Hiroshi; Murata, Hiroshi; Mayama, Chihiro; Asaoka, Ryo
2015-09-01
To study the efficacy of pattern deviation (PD) values in the estimation of visual field compensating the influence of cataract in eyes with glaucoma. The study subjects comprised of 48 eyes of 37 glaucoma patients. Mean total deviation value (mTDs) on Humphrey Field Analyzer after cataract surgery was compared with mean PD (mPD) before the surgery. Visual field measurements were carried out ≤6 months before (VF(pre)) and following (VF(post)) successful cataract surgery. The difference between the mPD or mTD values in the VF(pre) and mTD values in the VF(post) (denoted as εmPD/ΔmTD) was calculated, and the influence of the extent of 'true' glaucomatous visual field damage or cataract (as represented by εmPD and ΔmTD, respectively) on this difference was also investigated. There was a significant difference between mTD in the VF(pre) and mTD in the VF(post) (p<0.001, repeated measures analysis of variance). There was not a significant difference between mPD in the VF(pre) and mTD in the VF(post) (p=0.06); however, εmPD was significantly correlated with the mTD in VF(post) and also ΔmTD (R(2)=0.56 and 0.27, p<0.001, Pearson's correlation). The accurate prediction of the mTD in the VF(post) can be achieved using the pattern standard deviation (PSD), mTD and also visual acuity before surgery. Clinicians should be very careful when reviewing the VF of a patient with glaucoma and cataract since PD values may underestimate glaucomatous VF damage in patients with advanced disease and also overestimate glaucomatous VF damage in patients with early to moderate cataract. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://group.bmj.com/group/rights-licensing/permissions.
A conceptual data model and modelling language for fields and agents
NASA Astrophysics Data System (ADS)
de Bakker, Merijn; de Jong, Kor; Schmitz, Oliver; Karssenberg, Derek
2016-04-01
Modelling is essential in order to understand environmental systems. Environmental systems are heterogeneous because they consist of fields and agents. Fields have a value defined everywhere at all times, for example surface elevation and temperature. Agents are bounded in space and time and have a value only within their bounds, for example biomass of a tree crown or the speed of a car. Many phenomena have properties of both fields and agents. Although many systems contain both fields and agents and integration of these concepts would be required for modelling, existing modelling frameworks concentrate on either agent-based or field-based modelling and are often low-level programming frameworks. A concept is lacking that integrates fields and agents in a way that is easy to use for modelers who are not software engineers. To address this issue, we develop a conceptual data model that represents fields and agents uniformly. We then show how the data model can be used in a high-level modelling language. The data model represents fields and agents in space-time. Also relations and networks can be represented using the same concepts. Using the conceptual data model we can represent static and mobile agents that may have spatial and temporal variation within their extent. The concepts we use are phenomenon, property set, item, property, domain and value. The phenomenon is the thing that is modelled, which can be any real world thing, for example trees. A phenomenon usually consists of several items, e.g. single trees. The domain is the spatiotemporal location and/or extent for which the items in the phenomenon are defined. Multiple different domains can coexist for a given phenomenon. For example a domain describing the extent of the trees and a domain describing the stem locations. The same goes for the property, which is an attribute of the thing that is being modeled. A property has a value, which is possibly discretized, for example the biomass over the tree crown
Efficient and accurate approach to modeling the microstructure and defect properties of LaCoO3
NASA Astrophysics Data System (ADS)
Buckeridge, J.; Taylor, F. H.; Catlow, C. R. A.
2016-04-01
Complex perovskite oxides are promising materials for cathode layers in solid oxide fuel cells. Such materials have intricate electronic, magnetic, and crystalline structures that prove challenging to model accurately. We analyze a wide range of standard density functional theory approaches to modeling a highly promising system, the perovskite LaCoO3, focusing on optimizing the Hubbard U parameter to treat the self-interaction of the B-site cation's d states, in order to determine the most appropriate method to study defect formation and the effect of spin on local structure. By calculating structural and electronic properties for different magnetic states we determine that U =4 eV for Co in LaCoO3 agrees best with available experiments. We demonstrate that the generalized gradient approximation (PBEsol +U ) is most appropriate for studying structure versus spin state, while the local density approximation (LDA +U ) is most appropriate for determining accurate energetics for defect properties.
NASA Astrophysics Data System (ADS)
Meldgaard, Asger; Nielsen, Lars; Iaffaldano, Giampiero
2017-04-01
Relative sea level data, primarily obtained through isolation basin analysis in western Greenland and on Disko Island, indicates asynchronous rates of uplift during the Early Holocene with larger rates of uplift in southern Disko Bay compared to the northern part of the bay. Similar short-wavelength variations can be inferred from the Holocene marine limit as observations on the north and south side of Disko Island differ by as much as 60 m. While global isostatic adjustment models are needed to account for far field contributions to the relative sea level and for the calculation of accurate ocean functions, they are generally not suited for a detailed analysis of the short-wavelength uplift patterns observed close to present ice margins. This is in part due to the excessive computational cost required for sufficient resolution, and because these models generally ignore regional lateral heterogeneities in mantle and lithosphere rheology. To mitigate this problem, we perform sensitivity tests to investigate the effects of near field loading on a regional plane-Earth finite element model of the lithosphere and mantle of the Disko Bay area, where the global isostatic uplift chronology is well documented. By loading the model area through detailed regional ocean function and ice models, and by including a high resolution topography model of the area, we seek to assess the isostatic rebound generated by surface processes with wavelengths similar to those of the observed rebound signal. We also investigate possible effects of varying lithosphere and mantle rheology, which may play an important role in explaining the rebound signal. We use the abundance of relative sea level curves obtained in the region primarily through isolation basin analysis on Disko Island to constrain the parameters of the Earth model.
BOOTSTRAPPING THE CORONAL MAGNETIC FIELD WITH STEREO: UNIPOLAR POTENTIAL FIELD MODELING
DOE Office of Scientific and Technical Information (OSTI.GOV)
Aschwanden, Markus J.; Sandman, Anne W., E-mail: aschwanden@lmsal.co
We investigate the recently quantified misalignment of {alpha}{sub mis} {approx} 20{sup 0}-40{sup 0} between the three-dimensional geometry of stereoscopically triangulated coronal loops observed with STEREO/EUVI (in four active regions (ARs)) and theoretical (potential or nonlinear force-free) magnetic field models extrapolated from photospheric magnetograms. We develop an efficient method of bootstrapping the coronal magnetic field by forward fitting a parameterized potential field model to the STEREO-observed loops. The potential field model consists of a number of unipolar magnetic charges that are parameterized by decomposing a photospheric magnetogram from the Michelson Doppler Imager. The forward-fitting method yields a best-fit magnetic field modelmore » with a reduced misalignment of {alpha}{sub PF} {approx} 13{sup 0}-20{sup 0}. We also evaluate stereoscopic measurement errors and find a contribution of {alpha}{sub SE} {approx} 7{sup 0}-12{sup 0}, which constrains the residual misalignment to {alpha}{sub NP} {approx} 11{sup 0}-17{sup 0}, which is likely due to the nonpotentiality of the ARs. The residual misalignment angle, {alpha}{sub NP}, of the potential field due to nonpotentiality is found to correlate with the soft X-ray flux of the AR, which implies a relationship between electric currents and plasma heating.« less
Stochastic kinetic mean field model
NASA Astrophysics Data System (ADS)
Erdélyi, Zoltán; Pasichnyy, Mykola; Bezpalchuk, Volodymyr; Tomán, János J.; Gajdics, Bence; Gusak, Andriy M.
2016-07-01
This paper introduces a new model for calculating the change in time of three-dimensional atomic configurations. The model is based on the kinetic mean field (KMF) approach, however we have transformed that model into a stochastic approach by introducing dynamic Langevin noise. The result is a stochastic kinetic mean field model (SKMF) which produces results similar to the lattice kinetic Monte Carlo (KMC). SKMF is, however, far more cost-effective and easier to implement the algorithm (open source program code is provided on http://skmf.eu website). We will show that the result of one SKMF run may correspond to the average of several KMC runs. The number of KMC runs is inversely proportional to the amplitude square of the noise in SKMF. This makes SKMF an ideal tool also for statistical purposes.
NASA Astrophysics Data System (ADS)
Ansari, S. M.; Farquharson, C. G.; MacLachlan, S. P.
2017-07-01
In this paper, a new finite-element solution to the potential formulation of the geophysical electromagnetic (EM) problem that explicitly implements the Coulomb gauge, and that accurately computes the potentials and hence inductive and galvanic components, is proposed. The modelling scheme is based on using unstructured tetrahedral meshes for domain subdivision, which enables both realistic Earth models of complex geometries to be considered and efficient spatially variable refinement of the mesh to be done. For the finite-element discretization edge and nodal elements are used for approximating the vector and scalar potentials respectively. The issue of non-unique, incorrect potentials from the numerical solution of the usual incomplete-gauged potential system is demonstrated for a benchmark model from the literature that uses an electric-type EM source, through investigating the interface continuity conditions for both the normal and tangential components of the potential vectors, and by showing inconsistent results obtained from iterative and direct linear equation solvers. By explicitly introducing the Coulomb gauge condition as an extra equation, and by augmenting the Helmholtz equation with the gradient of a Lagrange multiplier, an explicitly gauged system for the potential formulation is formed. The solution to the discretized form of this system is validated for the above-mentioned example and for another classic example that uses a magnetic EM source. In order to stabilize the iterative solution of the gauged system, a block diagonal pre-conditioning scheme that is based upon the Schur complement of the potential system is used. For all examples, both the iterative and direct solvers produce the same responses for the potentials, demonstrating the uniqueness of the numerical solution for the potentials and fixing the problems with the interface conditions between cells observed for the incomplete-gauged system. These solutions of the gauged system also
Propulsion Physics Under the Changing Density Field Model
NASA Technical Reports Server (NTRS)
Robertson, Glen A.
2011-01-01
To grow as a space faring race, future spaceflight systems will requires new propulsion physics. Specifically a propulsion physics model that does not require mass ejection without limiting the high thrust necessary to accelerate within or beyond our solar system and return within a normal work period or lifetime. In 2004 Khoury and Weltman produced a density dependent cosmology theory they called Chameleon Cosmology, as at its nature, it is hidden within known physics. This theory represents a scalar field within and about an object, even in the vacuum. Whereby, these scalar fields can be viewed as vacuum energy fields with definable densities that permeate all matter; having implications to dark matter/energy with universe acceleration properties; implying a new force mechanism for propulsion physics. Using Chameleon Cosmology, the author has developed a new propulsion physics model, called the Changing Density Field (CDF) Model. This model relates to density changes in these density fields, where the density field density changes are related to the acceleration of matter within an object. These density changes in turn change how an object couples to the surrounding density fields. Whereby, thrust is achieved by causing a differential in the coupling to these density fields about an object. Since the model indicates that the density of the density field in an object can be changed by internal mass acceleration, even without exhausting mass, the CDF model implies a new propellant-less propulsion physics model
Method and apparatus for accurately manipulating an object during microelectrophoresis
Parvin, Bahram A.; Maestre, Marcos F.; Fish, Richard H.; Johnston, William E.
1997-01-01
An apparatus using electrophoresis provides accurate manipulation of an object on a microscope stage for further manipulations add reactions. The present invention also provides an inexpensive and easily accessible means to move an object without damage to the object. A plurality of electrodes are coupled to the stage in an array whereby the electrode array allows for distinct manipulations of the electric field for accurate manipulations of the object. There is an electrode array control coupled to the plurality of electrodes for manipulating the electric field. In an alternative embodiment, a chamber is provided on the stage to hold the object. The plurality of electrodes are positioned in the chamber, and the chamber is filled with fluid. The system can be automated using visual servoing, which manipulates the control parameters, i.e., x, y stage, applying the field, etc., after extracting the significant features directly from image data. Visual servoing includes an imaging device and computer system to determine the location of the object. A second stage having a plurality of tubes positioned on top of the second stage, can be accurately positioned by visual servoing so that one end of one of the plurality of tubes surrounds at least part of the object on the first stage.
Method and apparatus for accurately manipulating an object during microelectrophoresis
Parvin, B.A.; Maestre, M.F.; Fish, R.H.; Johnston, W.E.
1997-09-23
An apparatus using electrophoresis provides accurate manipulation of an object on a microscope stage for further manipulations and reactions. The present invention also provides an inexpensive and easily accessible means to move an object without damage to the object. A plurality of electrodes are coupled to the stage in an array whereby the electrode array allows for distinct manipulations of the electric field for accurate manipulations of the object. There is an electrode array control coupled to the plurality of electrodes for manipulating the electric field. In an alternative embodiment, a chamber is provided on the stage to hold the object. The plurality of electrodes are positioned in the chamber, and the chamber is filled with fluid. The system can be automated using visual servoing, which manipulates the control parameters, i.e., x, y stage, applying the field, etc., after extracting the significant features directly from image data. Visual servoing includes an imaging device and computer system to determine the location of the object. A second stage having a plurality of tubes positioned on top of the second stage, can be accurately positioned by visual servoing so that one end of one of the plurality of tubes surrounds at least part of the object on the first stage. 11 figs.
A Dynamic Model of Mercury's Magnetospheric Magnetic Field
Johnson, Catherine L.; Philpott, Lydia; Tsyganenko, Nikolai A.; Anderson, Brian J.
2017-01-01
Abstract Mercury's solar wind and interplanetary magnetic field environment is highly dynamic, and variations in these external conditions directly control the current systems and magnetic fields inside the planetary magnetosphere. We update our previous static model of Mercury's magnetic field by incorporating variations in the magnetospheric current systems, parameterized as functions of Mercury's heliocentric distance and magnetic activity. The new, dynamic model reproduces the location of the magnetopause current system as a function of systematic pressure variations encountered during Mercury's eccentric orbit, as well as the increase in the cross‐tail current intensity with increasing magnetic activity. Despite the enhancements in the external field parameterization, the residuals between the observed and modeled magnetic field inside the magnetosphere indicate that the dynamic model achieves only a modest overall improvement over the previous static model. The spatial distribution of the residuals in the magnetic field components shows substantial improvement of the model accuracy near the dayside magnetopause. Elsewhere, the large‐scale distribution of the residuals is similar to those of the static model. This result implies either that magnetic activity varies much faster than can be determined from the spacecraft's passage through the magnetosphere or that the residual fields are due to additional external current systems not represented in the model or both. Birkeland currents flowing along magnetic field lines between the magnetosphere and planetary high‐latitude regions have been identified as one such contribution. PMID:29263560
The random field Blume-Capel model revisited
NASA Astrophysics Data System (ADS)
Santos, P. V.; da Costa, F. A.; de Araújo, J. M.
2018-04-01
We have revisited the mean-field treatment for the Blume-Capel model under the presence of a discrete random magnetic field as introduced by Kaufman and Kanner (1990). The magnetic field (H) versus temperature (T) phase diagrams for given values of the crystal field D were recovered in accordance to Kaufman and Kanner original work. However, our main goal in the present work was to investigate the distinct structures of the crystal field versus temperature phase diagrams as the random magnetic field is varied because similar models have presented reentrant phenomenon due to randomness. Following previous works we have classified the distinct phase diagrams according to five different topologies. The topological structure of the phase diagrams is maintained for both H - T and D - T cases. Although the phase diagrams exhibit a richness of multicritical phenomena we did not found any reentrant effect as have been seen in similar models.
New Crustal Field Models of Mars
NASA Astrophysics Data System (ADS)
Mittelholz, A.; Morschhauser, A.; Johnson, C.
2017-12-01
The crustal magnetic field on Mars has been subject of extensive analysis, as it provides us with information about the history of the dynamo, the iron mineralogy of the crust, and the processes that have affected the acquisition and any subsequent modification of crustal magnetization. Mars Global Surveyor (MGS) measured strong, localized crustal magnetic fields, mostly occurring in the southern hemisphere. MGS data were taken mostly at altitudes of 360 - 440 km, with limited (geographically and in local time) observations obtained at lower altitudes. The Mars Atmosphere and Volatile EvolutioN (MAVEN) spacecraft has been in orbit since 2014. MAVEN magnetic field data complement those from MGS by globally expanding the spatial data distribution down to altitudes of 130 km, thus constraining shorter-wavelength structure in the field. Morschhauser et al. (2014) used the full MGS data set to build a spherical harmonic model for the crustal magnetic field up to spherical harmonic degree (l) and order (m) 110 ( λ≈195 km), while accounting for large-scale fields of non-crustal origin. We adopt a similar modeling approach, incorporating MAVEN data and inverting to higher l,m (e.g., λ≈130 km corresponds to l≈165). In order to avoid leakage of external field signals into the crustal field model, we select only nighttime data, use a modified Huber-Norm to treat data outliers and co-estimate a time-variable external field. We have also used another technique to model the field regionally. In this Equivalent Source Dipole (ESD) approach we solve for the magnetization of an assumed uniformly-magnetized layer, represented by equidistant dipoles placed at a single source depth. The ESD inversions indicate that shorter wavelength, weak signals are indeed resolvable in the MAVEN data. A comparison of the field models resulting from the two inversion techniques allows us to confidently identify new lithospheric field information available from the MAVEN observations.
TOPICA: an accurate and efficient numerical tool for analysis and design of ICRF antennas
NASA Astrophysics Data System (ADS)
Lancellotti, V.; Milanesio, D.; Maggiora, R.; Vecchi, G.; Kyrytsya, V.
2006-07-01
The demand for a predictive tool to help in designing ion-cyclotron radio frequency (ICRF) antenna systems for today's fusion experiments has driven the development of codes such as ICANT, RANT3D, and the early development of TOPICA (TOrino Polytechnic Ion Cyclotron Antenna) code. This paper describes the substantive evolution of TOPICA formulation and implementation that presently allow it to handle the actual geometry of ICRF antennas (with curved, solid straps, a general-shape housing, Faraday screen, etc) as well as an accurate plasma description, accounting for density and temperature profiles and finite Larmor radius effects. The antenna is assumed to be housed in a recess-like enclosure. Both goals have been attained by formally separating the problem into two parts: the vacuum region around the antenna and the plasma region inside the toroidal chamber. Field continuity and boundary conditions allow formulating of a set of two coupled integral equations for the unknown equivalent (current) sources; then the equations are reduced to a linear system by a method of moments solution scheme employing 2D finite elements defined over a 3D non-planar surface triangular-cell mesh. In the vacuum region calculations are done in the spatial (configuration) domain, whereas in the plasma region a spectral (wavenumber) representation of fields and currents is adopted, thus permitting a description of the plasma by a surface impedance matrix. Owing to this approach, any plasma model can be used in principle, and at present the FELICE code has been employed. The natural outcomes of TOPICA are the induced currents on the conductors (antenna, housing, etc) and the electric field in front of the plasma, whence the antenna circuit parameters (impedance/scattering matrices), the radiated power and the fields (at locations other than the chamber aperture) are then obtained. An accurate model of the feeding coaxial lines is also included. The theoretical model and its TOPICA
Shen, Jiajian; Tryggestad, Erik; Younkin, James E; Keole, Sameer R; Furutani, Keith M; Kang, Yixiu; Herman, Michael G; Bues, Martin
2017-10-01
To accurately model the beam delivery time (BDT) for a synchrotron-based proton spot scanning system using experimentally determined beam parameters. A model to simulate the proton spot delivery sequences was constructed, and BDT was calculated by summing times for layer switch, spot switch, and spot delivery. Test plans were designed to isolate and quantify the relevant beam parameters in the operation cycle of the proton beam therapy delivery system. These parameters included the layer switch time, magnet preparation and verification time, average beam scanning speeds in x- and y-directions, proton spill rate, and maximum charge and maximum extraction time for each spill. The experimentally determined parameters, as well as the nominal values initially provided by the vendor, served as inputs to the model to predict BDTs for 602 clinical proton beam deliveries. The calculated BDTs (T BDT ) were compared with the BDTs recorded in the treatment delivery log files (T Log ): ∆t = T Log -T BDT . The experimentally determined average layer switch time for all 97 energies was 1.91 s (ranging from 1.9 to 2.0 s for beam energies from 71.3 to 228.8 MeV), average magnet preparation and verification time was 1.93 ms, the average scanning speeds were 5.9 m/s in x-direction and 19.3 m/s in y-direction, the proton spill rate was 8.7 MU/s, and the maximum proton charge available for one acceleration is 2.0 ± 0.4 nC. Some of the measured parameters differed from the nominal values provided by the vendor. The calculated BDTs using experimentally determined parameters matched the recorded BDTs of 602 beam deliveries (∆t = -0.49 ± 1.44 s), which were significantly more accurate than BDTs calculated using nominal timing parameters (∆t = -7.48 ± 6.97 s). An accurate model for BDT prediction was achieved by using the experimentally determined proton beam therapy delivery parameters, which may be useful in modeling the interplay effect and patient throughput. The model may
NASA Astrophysics Data System (ADS)
Madugundu, Rangaswamy; Al-Gaadi, Khalid A.; Tola, ElKamil; Hassaballa, Abdalhaleem A.; Patil, Virupakshagouda C.
2017-12-01
Accurate estimation of evapotranspiration (ET) is essential for hydrological modeling and efficient crop water management in hyper-arid climates. In this study, we applied the METRIC algorithm on Landsat-8 images, acquired from June to October 2013, for the mapping of ET of a 50 ha center-pivot irrigated alfalfa field in the eastern region of Saudi Arabia. The METRIC-estimated energy balance components and ET were evaluated against the data provided by an eddy covariance (EC) flux tower installed in the field. Results indicated that the METRIC algorithm provided accurate ET estimates over the study area, with RMSE values of 0.13 and 4.15 mm d-1. The METRIC algorithm was observed to perform better in full canopy conditions compared to partial canopy conditions. On average, the METRIC algorithm overestimated the hourly ET by 6.6 % in comparison to the EC measurements; however, the daily ET was underestimated by 4.2 %.
NASA Astrophysics Data System (ADS)
Parise, M.
2018-01-01
A highly accurate analytical solution is derived to the electromagnetic problem of a short vertical wire antenna located on a stratified ground. The derivation consists of three steps. First, the integration path of the integrals describing the fields of the dipole is deformed and wrapped around the pole singularities and the two vertical branch cuts of the integrands located in the upper half of the complex plane. This allows to decompose the radiated field into its three contributions, namely the above-surface ground wave, the lateral wave, and the trapped surface waves. Next, the square root terms responsible for the branch cuts are extracted from the integrands of the branch-cut integrals. Finally, the extracted square roots are replaced with their rational representations according to Newton's square root algorithm, and residue theorem is applied to give explicit expressions, in series form, for the fields. The rigorous integration procedure and the convergence of square root algorithm ensure that the obtained formulas converge to the exact solution. Numerical simulations are performed to show the validity and robustness of the developed formulation, as well as its advantages in terms of time cost over standard numerical integration procedures.
Modeling of Mercury tides for recovery of gravity field and interior properties
NASA Astrophysics Data System (ADS)
Padovan, S.; Margot, J.; Hauck, S. A.; Lemoine, F. G.; Mazarico, E.; Peale, S. J.; Solomon, S. C.
2011-12-01
The radio science experiment on the MESSENGER mission allows the determination of the gravitational field of Mercury. In order to secure the best possible gravity-field recovery, it is important to model all the forces acting on the spacecraft. Here we study the perturbations induced on the spacecraft by the tides raised on Mercury by the Sun. The manner by which the tides affect the orbit of MESSENGER depends on the response of the planet to the tide-raising potential. This response is directly connected to the interior properties of Mercury, and its study can help improve our understanding of the physical and chemical properties of the planet. The standard approach of modeling the strongest tidal effect on the gravitational field is by introducing a time-varying component in the degree-two harmonic coefficients of the gravity field. The amplitude of these variations depends on known quantities (mass of the Sun and Mercury, radius of Mercury and its position and relative orientation with respect to the Sun) and on the Love number k2. The value of this parameter is sensitive (among other things) to the state of the core and to the rigidity of the mantle (which in turn depends on its chemical composition). An accurate value of k2 determined from orbit perturbations can be compared to values obtained with forward modeling of the interior of Mercury. The orbital geometry and physical environment of MESSENGER make the identification of the tidal perturbation difficult. Nevertheless, recent work has shown that in the case of Mars, careful study of the effect of tides on the spacecraft trajectory can help identify which orbital and observational geometries exhibit stronger tidal signatures and are apt to provide the best possible determination of k2. Our long-term goal is to evaluate k2 for a suite of interior models and to evaluate the sensitivity of k2 to key interior properties. We will describe the orbital geometry and the tidal perturbations acting on the spacecraft
NASA Astrophysics Data System (ADS)
GAO, J.; White, M. J.; Bieger, K.; Yen, H.; Arnold, J. G.
2017-12-01
Over the past 20 years, the Soil and Water Assessment Tool (SWAT) has been adopted by many researches to assess water quantity and quality in watersheds around the world. As the demand increases in facilitating model support, maintenance, and future development, the SWAT source code and data have undergone major modifications over the past few years. To make the model more flexible in terms of interactions of spatial units and processes occurring in watersheds, a completely revised version of SWAT (SWAT+) was developed to improve SWAT's ability in water resource modelling and management. There are only several applications of SWAT+ in large watersheds, however, no study pays attention to validate the new model at field level and assess its performance. To test the basic hydrologic function of SWAT+, it was implemented in five field cases across five states in the U.S. and compared the SWAT+ created results with that from the previous models at the same fields. Additionally, an automatic calibration tool was used to test which model is easier to be calibrated well in a limited number of parameter adjustments. The goal of the study was to evaluate the performance of SWAT+ in simulating stream flow on field level at different geographical locations. The results demonstrate that SWAT+ demonstrated similar performance with previous SWAT model, but the flexibility offered by SWAT+ via the connection of different spatial objects can result in a more accurate simulation of hydrological processes in spatial, especially for watershed with artificial facilities. Autocalibration shows that SWAT+ is much easier to obtain a satisfied result compared with the previous SWAT. Although many capabilities have already been enhanced in SWAT+, there exist inaccuracies in simulation. This insufficiency will be improved with advancements in scientific knowledge on hydrologic process in specific watersheds. Currently, SWAT+ is prerelease, and any errors are being addressed.
NASA Astrophysics Data System (ADS)
de Albuquerque, Douglas F.; Fittipaldi, I. P.
1994-05-01
A unified effective-field renormalization-group framework (EFRG) for both quenched bond- and site-diluted Ising models is herein developed by extending recent works. The method, as in the previous works, follows up the same strategy of the mean-field renormalization-group scheme (MFRG), and is achieved by introducing an alternative way for constructing classical effective-field equations of state, based on rigorous Ising spin identities. The concentration dependence of the critical temperature, Tc(p), and the critical concentrations of magnetic atoms, pc, at which the transition temperature goes to zero, are evaluated for several two- and three-dimensional lattice structures. The obtained values of Tc and pc and the resulting phase diagrams for both bond and site cases are much more accurate than those estimated by the standard MFRG approach. Although preserving the same level of simplicity as the MFRG, it is shown that the present EFRG method, even by considering its simplest size-cluster version, provides results that correctly distinguishes those lattices that have the same coordination number, but differ in dimensionality or geometry.
Simulation study on electric field intensity above train roof
NASA Astrophysics Data System (ADS)
Fan, Yizhe; Li, Huawei; Yang, Shasha
2018-04-01
In order to understand the distribution of electric field in the space above the train roof accurately and select the installation position of the detection device reasonably, in this paper, the 3D model of pantograph-catenary is established by using SolidWorks software, and the spatial electric field distribution of pantograph-catenary model is simulated based on Comsol software. According to the electric field intensity analysis within the 0.4m space above train roof, we give a reasonable installation of the detection device.
A new algebraic turbulence model for accurate description of airfoil flows
NASA Astrophysics Data System (ADS)
Xiao, Meng-Juan; She, Zhen-Su
2017-11-01
We report a new algebraic turbulence model (SED-SL) based on the SED theory, a symmetry-based approach to quantifying wall turbulence. The model specifies a multi-layer profile of a stress length (SL) function in both the streamwise and wall-normal directions, which thus define the eddy viscosity in the RANS equation (e.g. a zero-equation model). After a successful simulation of flat plate flow (APS meeting, 2016), we report here further applications of the model to the flow around airfoil, with significant improvement of the prediction accuracy of the lift (CL) and drag (CD) coefficients compared to other popular models (e.g. BL, SA, etc.). Two airfoils, namely RAE2822 airfoil and NACA0012 airfoil, are computed for over 50 cases. The results are compared to experimental data from AGARD report, which shows deviations of CL bounded within 2%, and CD within 2 counts (10-4) for RAE2822 and 6 counts for NACA0012 respectively (under a systematic adjustment of the flow conditions). In all these calculations, only one parameter (proportional to the Karmen constant) shows slight variation with Mach number. The most remarkable outcome is, for the first time, the accurate prediction of the drag coefficient. The other interesting outcome is the physical interpretation of the multi-layer parameters: they specify the corresponding multi-layer structure of turbulent boundary layer; when used together with simulation data, the SED-SL enables one to extract physical information from empirical data, and to understand the variation of the turbulent boundary layer.
Towards accurate modeling of noncovalent interactions for protein rigidity analysis.
Fox, Naomi; Streinu, Ileana
2013-01-01
Protein rigidity analysis is an efficient computational method for extracting flexibility information from static, X-ray crystallography protein data. Atoms and bonds are modeled as a mechanical structure and analyzed with a fast graph-based algorithm, producing a decomposition of the flexible molecule into interconnected rigid clusters. The result depends critically on noncovalent atomic interactions, primarily on how hydrogen bonds and hydrophobic interactions are computed and modeled. Ongoing research points to the stringent need for benchmarking rigidity analysis software systems, towards the goal of increasing their accuracy and validating their results, either against each other and against biologically relevant (functional) parameters. We propose two new methods for modeling hydrogen bonds and hydrophobic interactions that more accurately reflect a mechanical model, without being computationally more intensive. We evaluate them using a novel scoring method, based on the B-cubed score from the information retrieval literature, which measures how well two cluster decompositions match. To evaluate the modeling accuracy of KINARI, our pebble-game rigidity analysis system, we use a benchmark data set of 20 proteins, each with multiple distinct conformations deposited in the Protein Data Bank. Cluster decompositions for them were previously determined with the RigidFinder method from Gerstein's lab and validated against experimental data. When KINARI's default tuning parameters are used, an improvement of the B-cubed score over a crude baseline is observed in 30% of this data. With our new modeling options, improvements were observed in over 70% of the proteins in this data set. We investigate the sensitivity of the cluster decomposition score with case studies on pyruvate phosphate dikinase and calmodulin. To substantially improve the accuracy of protein rigidity analysis systems, thorough benchmarking must be performed on all current systems and future
Towards accurate modeling of noncovalent interactions for protein rigidity analysis
2013-01-01
Background Protein rigidity analysis is an efficient computational method for extracting flexibility information from static, X-ray crystallography protein data. Atoms and bonds are modeled as a mechanical structure and analyzed with a fast graph-based algorithm, producing a decomposition of the flexible molecule into interconnected rigid clusters. The result depends critically on noncovalent atomic interactions, primarily on how hydrogen bonds and hydrophobic interactions are computed and modeled. Ongoing research points to the stringent need for benchmarking rigidity analysis software systems, towards the goal of increasing their accuracy and validating their results, either against each other and against biologically relevant (functional) parameters. We propose two new methods for modeling hydrogen bonds and hydrophobic interactions that more accurately reflect a mechanical model, without being computationally more intensive. We evaluate them using a novel scoring method, based on the B-cubed score from the information retrieval literature, which measures how well two cluster decompositions match. Results To evaluate the modeling accuracy of KINARI, our pebble-game rigidity analysis system, we use a benchmark data set of 20 proteins, each with multiple distinct conformations deposited in the Protein Data Bank. Cluster decompositions for them were previously determined with the RigidFinder method from Gerstein's lab and validated against experimental data. When KINARI's default tuning parameters are used, an improvement of the B-cubed score over a crude baseline is observed in 30% of this data. With our new modeling options, improvements were observed in over 70% of the proteins in this data set. We investigate the sensitivity of the cluster decomposition score with case studies on pyruvate phosphate dikinase and calmodulin. Conclusion To substantially improve the accuracy of protein rigidity analysis systems, thorough benchmarking must be performed on all
Application of field dependent polynomial model
NASA Astrophysics Data System (ADS)
Janout, Petr; Páta, Petr; Skala, Petr; Fliegel, Karel; Vítek, Stanislav; Bednář, Jan
2016-09-01
Extremely wide-field imaging systems have many advantages regarding large display scenes whether for use in microscopy, all sky cameras, or in security technologies. The Large viewing angle is paid by the amount of aberrations, which are included with these imaging systems. Modeling wavefront aberrations using the Zernike polynomials is known a longer time and is widely used. Our method does not model system aberrations in a way of modeling wavefront, but directly modeling of aberration Point Spread Function of used imaging system. This is a very complicated task, and with conventional methods, it was difficult to achieve the desired accuracy. Our optimization techniques of searching coefficients space-variant Zernike polynomials can be described as a comprehensive model for ultra-wide-field imaging systems. The advantage of this model is that the model describes the whole space-variant system, unlike the majority models which are partly invariant systems. The issue that this model is the attempt to equalize the size of the modeled Point Spread Function, which is comparable to the pixel size. Issues associated with sampling, pixel size, pixel sensitivity profile must be taken into account in the design. The model was verified in a series of laboratory test patterns, test images of laboratory light sources and consequently on real images obtained by an extremely wide-field imaging system WILLIAM. Results of modeling of this system are listed in this article.
NASA Astrophysics Data System (ADS)
Lumme, E.; Pomoell, J.; Kilpua, E. K. J.
2017-12-01
Estimates of the photospheric magnetic, electric, and plasma velocity fields are essential for studying the dynamics of the solar atmosphere, for example through the derivative quantities of Poynting and relative helicity flux and using the fields to obtain the lower boundary condition for data-driven coronal simulations. In this paper we study the performance of a data processing and electric field inversion approach that requires only high-resolution and high-cadence line-of-sight or vector magnetograms, which we obtain from the Helioseismic and Magnetic Imager (HMI) onboard Solar Dynamics Observatory (SDO). The approach does not require any photospheric velocity estimates, and the lacking velocity information is compensated for using ad hoc assumptions. We show that the free parameters of these assumptions can be optimized to reproduce the time evolution of the total magnetic energy injection through the photosphere in NOAA AR 11158, when compared to recent state-of-the-art estimates for this active region. However, we find that the relative magnetic helicity injection is reproduced poorly, reaching at best a modest underestimation. We also discuss the effect of some of the data processing details on the results, including the masking of the noise-dominated pixels and the tracking method of the active region, neither of which has received much attention in the literature so far. In most cases the effect of these details is small, but when the optimization of the free parameters of the ad hoc assumptions is considered, a consistent use of the noise mask is required. The results found in this paper imply that the data processing and electric field inversion approach that uses only the photospheric magnetic field information offers a flexible and straightforward way to obtain photospheric magnetic and electric field estimates suitable for practical applications such as coronal modeling studies.
Initial geomagnetic field model from Magsat vector data
NASA Technical Reports Server (NTRS)
Langel, R. A.; Mead, G. D.; Lancaster, E. R.; Estes, R. H.; Fabiano, E. B.
1980-01-01
Magsat data from the magnetically quiet days of November 5-6, 1979, were used to derive a thirteenth degree and order spherical harmonic geomagnetic field model, MGST(6/80). The model utilized both scalar and high-accuracy vector data and fit that data with root-mean-square deviations of 8.2, 6.9, 7.6 and 7.4 nT for the scalar magnitude, B(r), B(theta), and B(phi), respectively. The model includes the three first-order coefficients of the external field. Comparison with averaged Dst indicates that zero Dst corresponds with 25 nT of horizontal field from external sources. When compared with earlier models, the earth's dipole moment continues to decrease at a rate of about 26 nT/yr. Evaluation of earlier models with Magsat data shows that the scalar field at the Magsat epoch is best predicted by the POGO(2/72) model but that the WC80, AWC/75 and IGS/75 are better for predicting vector fields.
2010-01-01
We model the response of nanoscale Ag prolate spheroids to an external uniform static electric field using simulations based on the discrete dipole approximation, in which the spheroid is represented as a collection of polarizable subunits. We compare the results of simulations that employ subunit polarizabilities derived from the Clausius–Mossotti relation with those of simulations that employ polarizabilities that include a local environmental correction for subunits near the spheroid’s surface [Rahmani et al. Opt Lett 27: 2118 (2002)]. The simulations that employ corrected polarizabilities give predictions in very good agreement with exact results obtained by solving Laplace’s equation. In contrast, simulations that employ uncorrected Clausius–Mossotti polarizabilities substantially underestimate the extent of the electric field “hot spot” near the spheroid’s sharp tip, and give predictions for the field enhancement factor near the tip that are 30 to 50% too small. PMID:20672062
NASA Technical Reports Server (NTRS)
Sokalski, W. A.; Shibata, M.; Ornstein, R. L.; Rein, R.
1992-01-01
The quality of several atomic charge models based on different definitions has been analyzed using cumulative atomic multipole moments (CAMM). This formalism can generate higher atomic moments starting from any atomic charges, while preserving the corresponding molecular moments. The atomic charge contribution to the higher molecular moments, as well as to the electrostatic potentials, has been examined for CO and HCN molecules at several different levels of theory. The results clearly show that the electrostatic potential obtained from CAMM expansion is convergent up to R-5 term for all atomic charge models used. This illustrates that higher atomic moments can be used to supplement any atomic charge model to obtain more accurate description of electrostatic properties.
Image-based optimization of coronal magnetic field models for improved space weather forecasting
NASA Astrophysics Data System (ADS)
Uritsky, V. M.; Davila, J. M.; Jones, S. I.; MacNeice, P. J.
2017-12-01
The existing space weather forecasting frameworks show a significant dependence on the accuracy of the photospheric magnetograms and the extrapolation models used to reconstruct the magnetic filed in the solar corona. Minor uncertainties in the magnetic field magnitude and direction near the Sun, when propagated through the heliosphere, can lead to unacceptible prediction errors at 1 AU. We argue that ground based and satellite coronagraph images can provide valid geometric constraints that could be used for improving coronal magnetic field extrapolation results, enabling more reliable forecasts of extreme space weather events such as major CMEs. In contrast to the previously developed loop segmentation codes designed for detecting compact closed-field structures above solar active regions, we focus on the large-scale geometry of the open-field coronal regions up to 1-2 solar radii above the photosphere. By applying the developed image processing techniques to high-resolution Mauna Loa Solar Observatory images, we perform an optimized 3D B-line tracing for a full Carrington rotation using the magnetic field extrapolation code developed S. Jones at al. (ApJ 2016, 2017). Our tracing results are shown to be in a good qualitative agreement with the large-scale configuration of the optical corona, and lead to a more consistent reconstruction of the large-scale coronal magnetic field geometry, and potentially more accurate global heliospheric simulation results. Several upcoming data products for the space weather forecasting community will be also discussed.
NASA Astrophysics Data System (ADS)
García-Barberena, Javier; Mutuberria, Amaia; Palacin, Luis G.; Sanz, Javier L.; Pereira, Daniel; Bernardos, Ana; Sanchez, Marcelino; Rocha, Alberto R.
2017-06-01
The National Renewable Energy Centre of Spain, CENER, and the Technology & Innovation area of ACS Cobra, as a result of their long term expertise in the CSP field, have developed a high-quality and high level of detail optical and thermal simulation software for the accurate evaluation of Molten Salts Solar Towers. The main purpose of this software is to make a step forward in the state-of-the-art of the Solar Towers simulation programs. Generally, these programs deal with the most critical systems of such plants, i.e. the solar field and the receiver, on an independent basis. Therefore, these programs typically neglect relevant aspects in the operation of the plant as heliostat aiming strategies, solar flux shapes onto the receiver, material physical and operational limitations, transient processes as preheating and secure cloud passing operating modes, and more. The modelling approach implemented in the developed program consists on effectively coupling detailed optical simulations of the heliostat field with also detailed and full-transient thermal simulations of the molten salts tube-based external receiver. The optical model is based on an accurate Monte Carlo ray-tracing method which solves the complete solar field by simulating each of the heliostats at once according to their specific layout in the field. In the thermal side, the tube-based cylindrical external receiver of a Molten Salts Solar Tower is modelled assuming one representative tube per panel, and implementing the specific connection layout of the panels as well as the internal receiver pipes. Each tube is longitudinally discretized and the transient energy and mass balances in the temperature dependent molten salts and steel tube models are solved. For this, a one dimensional radial heat transfer model based is used. The thermal model is completed with a detailed control and operation strategy module, able to represent the appropriate operation of the plant. An integration framework has been
DOE Office of Scientific and Technical Information (OSTI.GOV)
Candel, A.; Kabel, A.; Lee, L.
Over the past years, SLAC's Advanced Computations Department (ACD), under SciDAC sponsorship, has developed a suite of 3D (2D) parallel higher-order finite element (FE) codes, T3P (T2P) and Pic3P (Pic2P), aimed at accurate, large-scale simulation of wakefields and particle-field interactions in radio-frequency (RF) cavities of complex shape. The codes are built on the FE infrastructure that supports SLAC's frequency domain codes, Omega3P and S3P, to utilize conformal tetrahedral (triangular)meshes, higher-order basis functions and quadratic geometry approximation. For time integration, they adopt an unconditionally stable implicit scheme. Pic3P (Pic2P) extends T3P (T2P) to treat charged-particle dynamics self-consistently using the PIC (particle-in-cell)more » approach, the first such implementation on a conformal, unstructured grid using Whitney basis functions. Examples from applications to the International Linear Collider (ILC), Positron Electron Project-II (PEP-II), Linac Coherent Light Source (LCLS) and other accelerators will be presented to compare the accuracy and computational efficiency of these codes versus their counterparts using structured grids.« less
Conditional random field modelling of interactions between findings in mammography
NASA Astrophysics Data System (ADS)
Kooi, Thijs; Mordang, Jan-Jurre; Karssemeijer, Nico
2017-03-01
Recent breakthroughs in training deep neural network architectures, in particular deep Convolutional Neural Networks (CNNs), made a big impact on vision research and are increasingly responsible for advances in Computer Aided Diagnosis (CAD). Since many natural scenes and medical images vary in size and are too large to feed to the networks as a whole, two stage systems are typically employed, where in the first stage, small regions of interest in the image are located and presented to the network as training and test data. These systems allow us to harness accurate region based annotations, making the problem easier to learn. However, information is processed purely locally and context is not taken into account. In this paper, we present preliminary work on the employment of a Conditional Random Field (CRF) that is trained on top the CNN to model contextual interactions such as the presence of other suspicious regions, for mammography CAD. The model can easily be extended to incorporate other sources of information, such as symmetry, temporal change and various patient covariates and is general in the sense that it can have application in other CAD problems.
A model for polar cap electric fields
NASA Technical Reports Server (NTRS)
Dangelo, N.
1976-01-01
A model is proposed relating polar cap ionospheric electric fields to the parameters of the solar wind near the orbit of the earth. The model ignores the notion of field line merging. An essential feature is the role played by velocity shear instabilities in regions of the outer magnetosphere, in which mapping of the magnetosheath electric field would produce sunward convection. The anomalous resistivity which arises from velocity shear turbulence, suffices to essentially disconnect the magnetosphere from the magnetosheath, at any place where that resistivity is large enough. The magnetosheath-magnetosphere system, as a consequence, acts as a kind of diode or rectifier for the magnetosheath electric fields. Predictions of the model are compared with several observations related to polar cap convection.
Benchmarking an Unstructured-Grid Model for Tsunami Current Modeling
NASA Astrophysics Data System (ADS)
Zhang, Yinglong J.; Priest, George; Allan, Jonathan; Stimely, Laura
2016-12-01
We present model results derived from a tsunami current benchmarking workshop held by the NTHMP (National Tsunami Hazard Mitigation Program) in February 2015. Modeling was undertaken using our own 3D unstructured-grid model that has been previously certified by the NTHMP for tsunami inundation. Results for two benchmark tests are described here, including: (1) vortex structure in the wake of a submerged shoal and (2) impact of tsunami waves on Hilo Harbor in the 2011 Tohoku event. The modeled current velocities are compared with available lab and field data. We demonstrate that the model is able to accurately capture the velocity field in the two benchmark tests; in particular, the 3D model gives a much more accurate wake structure than the 2D model for the first test, with the root-mean-square error and mean bias no more than 2 cm s-1 and 8 mm s-1, respectively, for the modeled velocity.
Constrained optimization for position calibration of an NMR field camera.
Chang, Paul; Nassirpour, Sahar; Eschelbach, Martin; Scheffler, Klaus; Henning, Anke
2018-07-01
Knowledge of the positions of field probes in an NMR field camera is necessary for monitoring the B 0 field. The typical method of estimating these positions is by switching the gradients with known strengths and calculating the positions using the phases of the FIDs. We investigated improving the accuracy of estimating the probe positions and analyzed the effect of inaccurate estimations on field monitoring. The field probe positions were estimated by 1) assuming ideal gradient fields, 2) using measured gradient fields (including nonlinearities), and 3) using measured gradient fields with relative position constraints. The fields measured with the NMR field camera were compared to fields acquired using a dual-echo gradient recalled echo B 0 mapping sequence. Comparisons were done for shim fields from second- to fourth-order shim terms. The position estimation was the most accurate when relative position constraints were used in conjunction with measured (nonlinear) gradient fields. The effect of more accurate position estimates was seen when compared to fields measured using a B 0 mapping sequence (up to 10%-15% more accurate for some shim fields). The models acquired from the field camera are sensitive to noise due to the low number of spatial sample points. Position estimation of field probes in an NMR camera can be improved using relative position constraints and nonlinear gradient fields. Magn Reson Med 80:380-390, 2018. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.
A bio-optical model for integration into ecosystem models for the Ligurian Sea
NASA Astrophysics Data System (ADS)
Bengil, Fethi; McKee, David; Beşiktepe, Sükrü T.; Sanjuan Calzado, Violeta; Trees, Charles
2016-12-01
A bio-optical model has been developed for the Ligurian Sea which encompasses both deep, oceanic Case 1 waters and shallow, coastal Case 2 waters. The model builds on earlier Case 1 models for the region and uses field data collected on the BP09 research cruise to establish new relationships for non-biogenic particles and CDOM. The bio-optical model reproduces in situ IOPs accurately and is used to parameterize radiative transfer simulations which demonstrate its utility for modeling underwater light levels and above surface remote sensing reflectance. Prediction of euphotic depth is found to be accurate to within ∼3.2 m (RMSE). Previously published light field models work well for deep oceanic parts of the Ligurian Sea that fit the Case 1 classification. However, they are found to significantly over-estimate euphotic depth in optically complex coastal waters where the influence of non-biogenic materials is strongest. For these coastal waters, the combination of the bio-optical model proposed here and full radiative transfer simulations provides significantly more accurate predictions of euphotic depth.
Calculations of lightning return stroke electric and magnetic fields above ground
NASA Technical Reports Server (NTRS)
Master, M. J.; Uman, M. A.; Ling, Y. T.; Standler, R. B.
1981-01-01
Lin et al., (1980) presented a lightning return stroke model with which return stroke electric and magnetic fields measured at ground level could be reproduced. This model and a modified version of it, in which the initial current peak decays with height above ground, are used to compute waveforms for altitudes from 0-10 km and at ranges of 20 m to 10 km. Both the original and modified models gave accurate predictions of measured ground-based fields. The use of the calculated fields in calibrating airborne field measurements from simultaneous ground and airborne data is discussed.
Aland, Sebastian; Lowengrub, John; Voigt, Axel
2013-01-01
Colloid particles that are partially wetted by two immiscible fluids can become confined to fluid-fluid interfaces. At sufficiently high volume fractions, the colloids may jam and the interface may crystallize. The fluids together with the interfacial colloids form an emulsion with interesting material properties and offer an important route to new soft materials. A promising approach to simulate these emulsions was presented in Aland et al. [Phys. Fluids 23, 062103 (2011)], where a Navier-Stokes-Cahn-Hilliard model for the macroscopic two-phase fluid system was combined with a surface phase-field-crystal model for the microscopic colloidal particles along the interface. Unfortunately this model leads to spurious velocities which require very fine spatial and temporal resolutions to accurately and stably simulate. In this paper we develop an improved Navier-Stokes-Cahn-Hilliard-surface phase-field-crystal model based on the principles of mass conservation and thermodynamic consistency. To validate our approach, we derive a sharp interface model and show agreement with the improved diffuse interface model. Using simple flow configurations, we show that the new model has much better properties and does not lead to spurious velocities. Finally, we demonstrate the solid-like behavior of the crystallized interface by simulating the fall of a solid ball through a colloid-laden multiphase fluid. PMID:23214691
High-accuracy 3D Fourier forward modeling of gravity field based on the Gauss-FFT technique
NASA Astrophysics Data System (ADS)
Zhao, Guangdong; Chen, Bo; Chen, Longwei; Liu, Jianxin; Ren, Zhengyong
2018-03-01
The 3D Fourier forward modeling of 3D density sources is capable of providing 3D gravity anomalies coincided with the meshed density distribution within the whole source region. This paper firstly derives a set of analytical expressions through employing 3D Fourier transforms for calculating the gravity anomalies of a 3D density source approximated by right rectangular prisms. To reduce the errors due to aliasing and imposed periodicity as well as edge effects in the Fourier domain modeling, we develop the 3D Gauss-FFT technique to the 3D gravity anomalies forward modeling. The capability and adaptability of this scheme are tested by simple synthetic models. The results show that the accuracy of the Fourier forward methods using the Gauss-FFT with 4 Gaussian-nodes (or more) is comparable to that of the spatial modeling. In addition, the "ghost" source effects in the 3D Fourier forward gravity field due to imposed periodicity of the standard FFT algorithm are remarkably depressed by the application of the 3D Gauss-FFT algorithm. More importantly, the execution times of the 4 nodes Gauss-FFT modeling are reduced by two orders of magnitude compared with the spatial forward method. It demonstrates that the improved Fourier method is an efficient and accurate forward modeling tool for the gravity field.
Bayesian population receptive field modelling.
Zeidman, Peter; Silson, Edward Harry; Schwarzkopf, Dietrich Samuel; Baker, Chris Ian; Penny, Will
2017-09-08
We introduce a probabilistic (Bayesian) framework and associated software toolbox for mapping population receptive fields (pRFs) based on fMRI data. This generic approach is intended to work with stimuli of any dimension and is demonstrated and validated in the context of 2D retinotopic mapping. The framework enables the experimenter to specify generative (encoding) models of fMRI timeseries, in which experimental stimuli enter a pRF model of neural activity, which in turns drives a nonlinear model of neurovascular coupling and Blood Oxygenation Level Dependent (BOLD) response. The neuronal and haemodynamic parameters are estimated together on a voxel-by-voxel or region-of-interest basis using a Bayesian estimation algorithm (variational Laplace). This offers several novel contributions to receptive field modelling. The variance/covariance of parameters are estimated, enabling receptive fields to be plotted while properly representing uncertainty about pRF size and location. Variability in the haemodynamic response across the brain is accounted for. Furthermore, the framework introduces formal hypothesis testing to pRF analysis, enabling competing models to be evaluated based on their log model evidence (approximated by the variational free energy), which represents the optimal tradeoff between accuracy and complexity. Using simulations and empirical data, we found that parameters typically used to represent pRF size and neuronal scaling are strongly correlated, which is taken into account by the Bayesian methods we describe when making inferences. We used the framework to compare the evidence for six variants of pRF model using 7 T functional MRI data and we found a circular Difference of Gaussians (DoG) model to be the best explanation for our data overall. We hope this framework will prove useful for mapping stimulus spaces with any number of dimensions onto the anatomy of the brain. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.
The 1995 revision of the joint US/UK geomagnetic field models. II: Main field
Quinn, J.M.; Coleman, R.J.; Macmillan, S.; Barraclough, D.R.
1997-01-01
This paper presents the 1995 main-field revision of the World Magnetic Model (WMM-95). It is based on Project MAGNET high-level (??? 15,000 ft.) vector aeromagnetic survey data collected between 1988 and 1994 and on scalar total intensity data collected by the Polar Orbiting Geomagnetic Survey (POGS) satellite during the period 1991 through 1993. The spherical harmonic model produced from these data describes that portion of the Earth's magnetic field generated internal to the Earth's surface at the 1995.0 Epoch. When combined with the spherical harmonic model of the Earth's secular variation described in paper I, the Earth's main magnetic field is fully characterized between the years 1995 and 2000. Regional magnetic field models for the conterminous United States, Alaska and, Hawaii were generated as by-products of the global modeling process.
Circular Conditional Autoregressive Modeling of Vector Fields.
Modlin, Danny; Fuentes, Montse; Reich, Brian
2012-02-01
As hurricanes approach landfall, there are several hazards for which coastal populations must be prepared. Damaging winds, torrential rains, and tornadoes play havoc with both the coast and inland areas; but, the biggest seaside menace to life and property is the storm surge. Wind fields are used as the primary forcing for the numerical forecasts of the coastal ocean response to hurricane force winds, such as the height of the storm surge and the degree of coastal flooding. Unfortunately, developments in deterministic modeling of these forcings have been hindered by computational expenses. In this paper, we present a multivariate spatial model for vector fields, that we apply to hurricane winds. We parameterize the wind vector at each site in polar coordinates and specify a circular conditional autoregressive (CCAR) model for the vector direction, and a spatial CAR model for speed. We apply our framework for vector fields to hurricane surface wind fields for Hurricane Floyd of 1999 and compare our CCAR model to prior methods that decompose wind speed and direction into its N-S and W-E cardinal components.
Circular Conditional Autoregressive Modeling of Vector Fields*
Modlin, Danny; Fuentes, Montse; Reich, Brian
2013-01-01
As hurricanes approach landfall, there are several hazards for which coastal populations must be prepared. Damaging winds, torrential rains, and tornadoes play havoc with both the coast and inland areas; but, the biggest seaside menace to life and property is the storm surge. Wind fields are used as the primary forcing for the numerical forecasts of the coastal ocean response to hurricane force winds, such as the height of the storm surge and the degree of coastal flooding. Unfortunately, developments in deterministic modeling of these forcings have been hindered by computational expenses. In this paper, we present a multivariate spatial model for vector fields, that we apply to hurricane winds. We parameterize the wind vector at each site in polar coordinates and specify a circular conditional autoregressive (CCAR) model for the vector direction, and a spatial CAR model for speed. We apply our framework for vector fields to hurricane surface wind fields for Hurricane Floyd of 1999 and compare our CCAR model to prior methods that decompose wind speed and direction into its N-S and W-E cardinal components. PMID:24353452
Goce and Its Role in Combined Global High Resolution Gravity Field Determination
NASA Astrophysics Data System (ADS)
Fecher, T.; Pail, R.; Gruber, T.
2013-12-01
Combined high-resolution gravity field models serve as a mandatory basis to describe static and dynamic processes in system Earth. Ocean dynamics can be modeled referring to a high-accurate geoid as reference surface, solid earth processes are initiated by the gravity field. Also geodetic disciplines such as height system determination depend on high-precise gravity field information. To fulfill the various requirements concerning resolution and accuracy, any kind of gravity field information, that means satellite as well as terrestrial and altimetric gravity field observations have to be included in one combination process. A key role is here reserved for GOCE observations, which contribute with its optimal signal content in the long to medium wavelength part and enable a more accurate gravity field determination than ever before especially in areas, where no high-accurate terrestrial gravity field observations are available, such as South America, Asia or Africa. For our contribution we prepare a combined high-resolution gravity field model up to d/o 720 based on full normal equation including recent GOCE, GRACE and terrestrial / altimetric data. For all data sets, normal equations are set up separately, relative weighted to each other in the combination step and solved. This procedure is computationally challenging and can only be performed using super computers. We put special emphasis on the combination process, for which we modified especially our procedure to include GOCE data optimally in the combination. Furthermore we modified our terrestrial/altimetric data sets, what should result in an improved outcome. With our model, in which we included the newest GOCE TIM4 gradiometry results, we can show how GOCE contributes to a combined gravity field solution especially in areas of poor terrestrial data coverage. The model is validated by independent GPS leveling data in selected regions as well as computation of the mean dynamic topography over the oceans
Toward Accurate On-Ground Attitude Determination for the Gaia Spacecraft
NASA Astrophysics Data System (ADS)
Samaan, Malak A.
2010-03-01
The work presented in this paper concerns the accurate On-Ground Attitude (OGA) reconstruction for the astrometry spacecraft Gaia in the presence of disturbance and of control torques acting on the spacecraft. The reconstruction of the expected environmental torques which influence the spacecraft dynamics will be also investigated. The telemetry data from the spacecraft will include the on-board real-time attitude, which is of order of several arcsec. This raw attitude is the starting point for the further attitude reconstruction. The OGA will use the inputs from the field coordinates of known stars (attitude stars) and also the field coordinate differences of objects on the Sky Mapper (SM) and Astrometric Field (AF) payload instruments to improve this raw attitude. The on-board attitude determination uses a Kalman Filter (KF) to minimize the attitude errors and produce a more accurate attitude estimation than the pure star tracker measurement. Therefore the first approach for the OGA will be an adapted version of KF. Furthermore, we will design a batch least squares algorithm to investigate how to obtain a more accurate OGA estimation. Finally, a comparison between these different attitude determination techniques in terms of accuracy, robustness, speed and memory required will be evaluated in order to choose the best attitude algorithm for the OGA. The expected resulting accuracy for the OGA determination will be on the order of milli-arcsec.
Grain coarsening in two-dimensional phase-field models with an orientation field
NASA Astrophysics Data System (ADS)
Korbuly, Bálint; Pusztai, Tamás; Henry, Hervé; Plapp, Mathis; Apel, Markus; Gránásy, László
2017-05-01
In the literature, contradictory results have been published regarding the form of the limiting (long-time) grain size distribution (LGSD) that characterizes the late stage grain coarsening in two-dimensional and quasi-two-dimensional polycrystalline systems. While experiments and the phase-field crystal (PFC) model (a simple dynamical density functional theory) indicate a log-normal distribution, other works including theoretical studies based on conventional phase-field simulations that rely on coarse grained fields, like the multi-phase-field (MPF) and orientation field (OF) models, yield significantly different distributions. In a recent work, we have shown that the coarse grained phase-field models (whether MPF or OF) yield very similar limiting size distributions that seem to differ from the theoretical predictions. Herein, we revisit this problem, and demonstrate in the case of OF models [R. Kobayashi, J. A. Warren, and W. C. Carter, Physica D 140, 141 (2000), 10.1016/S0167-2789(00)00023-3; H. Henry, J. Mellenthin, and M. Plapp, Phys. Rev. B 86, 054117 (2012), 10.1103/PhysRevB.86.054117] that an insufficient resolution of the small angle grain boundaries leads to a log-normal distribution close to those seen in the experiments and the molecular scale PFC simulations. Our paper indicates, furthermore, that the LGSD is critically sensitive to the details of the evaluation process, and raises the possibility that the differences among the LGSD results from different sources may originate from differences in the detection of small angle grain boundaries.
Application of lab derived kinetic biodegradation parameters at the field scale
NASA Astrophysics Data System (ADS)
Schirmer, M.; Barker, J. F.; Butler, B. J.; Frind, E. O.
2003-04-01
Estimating the intrinsic remediation potential of an aquifer typically requires the accurate assessment of the biodegradation kinetics, the level of available electron acceptors and the flow field. Zero- and first-order degradation rates derived at the laboratory scale generally overpredict the rate of biodegradation when applied to the field scale, because limited electron acceptor availability and microbial growth are typically not considered. On the other hand, field estimated zero- and first-order rates are often not suitable to forecast plume development because they may be an oversimplification of the processes at the field scale and ignore several key processes, phenomena and characteristics of the aquifer. This study uses the numerical model BIO3D to link the laboratory and field scale by applying laboratory derived Monod kinetic degradation parameters to simulate a dissolved gasoline field experiment at Canadian Forces Base (CFB) Borden. All additional input parameters were derived from laboratory and field measurements or taken from the literature. The simulated results match the experimental results reasonably well without having to calibrate the model. An extensive sensitivity analysis was performed to estimate the influence of the most uncertain input parameters and to define the key controlling factors at the field scale. It is shown that the most uncertain input parameters have only a minor influence on the simulation results. Furthermore it is shown that the flow field, the amount of electron acceptor (oxygen) available and the Monod kinetic parameters have a significant influence on the simulated results. Under the field conditions modelled and the assumptions made for the simulations, it can be concluded that laboratory derived Monod kinetic parameters can adequately describe field scale degradation processes, if all controlling factors are incorporated in the field scale modelling that are not necessarily observed at the lab scale. In this way
Fitmunk: improving protein structures by accurate, automatic modeling of side-chain conformations.
Porebski, Przemyslaw Jerzy; Cymborowski, Marcin; Pasenkiewicz-Gierula, Marta; Minor, Wladek
2016-02-01
Improvements in crystallographic hardware and software have allowed automated structure-solution pipelines to approach a near-`one-click' experience for the initial determination of macromolecular structures. However, in many cases the resulting initial model requires a laborious, iterative process of refinement and validation. A new method has been developed for the automatic modeling of side-chain conformations that takes advantage of rotamer-prediction methods in a crystallographic context. The algorithm, which is based on deterministic dead-end elimination (DEE) theory, uses new dense conformer libraries and a hybrid energy function derived from experimental data and prior information about rotamer frequencies to find the optimal conformation of each side chain. In contrast to existing methods, which incorporate the electron-density term into protein-modeling frameworks, the proposed algorithm is designed to take advantage of the highly discriminatory nature of electron-density maps. This method has been implemented in the program Fitmunk, which uses extensive conformational sampling. This improves the accuracy of the modeling and makes it a versatile tool for crystallographic model building, refinement and validation. Fitmunk was extensively tested on over 115 new structures, as well as a subset of 1100 structures from the PDB. It is demonstrated that the ability of Fitmunk to model more than 95% of side chains accurately is beneficial for improving the quality of crystallographic protein models, especially at medium and low resolutions. Fitmunk can be used for model validation of existing structures and as a tool to assess whether side chains are modeled optimally or could be better fitted into electron density. Fitmunk is available as a web service at http://kniahini.med.virginia.edu/fitmunk/server/ or at http://fitmunk.bitbucket.org/.
Large-scale modeling of rain fields from a rain cell deterministic model
NASA Astrophysics Data System (ADS)
FéRal, Laurent; Sauvageot, Henri; Castanet, Laurent; Lemorton, JoëL.; Cornet, FréDéRic; Leconte, Katia
2006-04-01
A methodology to simulate two-dimensional rain rate fields at large scale (1000 × 1000 km2, the scale of a satellite telecommunication beam or a terrestrial fixed broadband wireless access network) is proposed. It relies on a rain rate field cellular decomposition. At small scale (˜20 × 20 km2), the rain field is split up into its macroscopic components, the rain cells, described by the Hybrid Cell (HYCELL) cellular model. At midscale (˜150 × 150 km2), the rain field results from the conglomeration of rain cells modeled by HYCELL. To account for the rain cell spatial distribution at midscale, the latter is modeled by a doubly aggregative isotropic random walk, the optimal parameterization of which is derived from radar observations at midscale. The extension of the simulation area from the midscale to the large scale (1000 × 1000 km2) requires the modeling of the weather frontal area. The latter is first modeled by a Gaussian field with anisotropic covariance function. The Gaussian field is then turned into a binary field, giving the large-scale locations over which it is raining. This transformation requires the definition of the rain occupation rate over large-scale areas. Its probability distribution is determined from observations by the French operational radar network ARAMIS. The coupling with the rain field modeling at midscale is immediate whenever the large-scale field is split up into midscale subareas. The rain field thus generated accounts for the local CDF at each point, defining a structure spatially correlated at small scale, midscale, and large scale. It is then suggested that this approach be used by system designers to evaluate diversity gain, terrestrial path attenuation, or slant path attenuation for different azimuth and elevation angle directions.
A cavitation model based on Eulerian stochastic fields
NASA Astrophysics Data System (ADS)
Magagnato, F.; Dumond, J.
2013-12-01
Non-linear phenomena can often be described using probability density functions (pdf) and pdf transport models. Traditionally the simulation of pdf transport requires Monte-Carlo codes based on Lagrangian "particles" or prescribed pdf assumptions including binning techniques. Recently, in the field of combustion, a novel formulation called the stochastic-field method solving pdf transport based on Eulerian fields has been proposed which eliminates the necessity to mix Eulerian and Lagrangian techniques or prescribed pdf assumptions. In the present work, for the first time the stochastic-field method is applied to multi-phase flow and in particular to cavitating flow. To validate the proposed stochastic-field cavitation model, two applications are considered. Firstly, sheet cavitation is simulated in a Venturi-type nozzle. The second application is an innovative fluidic diode which exhibits coolant flashing. Agreement with experimental results is obtained for both applications with a fixed set of model constants. The stochastic-field cavitation model captures the wide range of pdf shapes present at different locations.
NASA Technical Reports Server (NTRS)
Benton, E. R. (Principal Investigator)
1982-01-01
MAGSAT data were used to construct a variety of spherical harmonic models of the main geomagnetic field emanating from Earth's liquid core at poch 1980. These models were used to: (1) accurately determine the radius of Earth's core by a magnetic method, (2) calculate estimates, of the long-term ange of variation of geomagnetic Gauss coefficients; (3) establish a preferred truncation level for current spherical harmonic models of the main geomagnetic field from the core; (4) evaluate a method for taking account of electrical conduction in the mantle when the magnetic field is downward continued to the core-mantle boundary; and (5) establish that upwelling and downwelling of fluid motion at the top of the core is probably detectable, observationally. A fluid dynamics forecast model was not produced because of insufficient data.
Near-Field Magnetic Dipole Moment Analysis
NASA Technical Reports Server (NTRS)
Harris, Patrick K.
2003-01-01
This paper describes the data analysis technique used for magnetic testing at the NASA Goddard Space Flight Center (GSFC). Excellent results have been obtained using this technique to convert a spacecraft s measured magnetic field data into its respective magnetic dipole moment model. The model is most accurate with the earth s geomagnetic field cancelled in a spherical region bounded by the measurement magnetometers with a minimum radius large enough to enclose the magnetic source. Considerably enhanced spacecraft magnetic testing is offered by using this technique in conjunction with a computer-controlled magnetic field measurement system. Such a system, with real-time magnetic field display capabilities, has been incorporated into other existing magnetic measurement facilities and is also used at remote locations where transport to a magnetics test facility is impractical.
Determining accurate distances to nearby galaxies
NASA Astrophysics Data System (ADS)
Bonanos, Alceste Zoe
2005-11-01
Determining accurate distances to nearby or distant galaxies is a very simple conceptually, yet complicated in practice, task. Presently, distances to nearby galaxies are only known to an accuracy of 10-15%. The current anchor galaxy of the extragalactic distance scale is the Large Magellanic Cloud, which has large (10-15%) systematic uncertainties associated with it, because of its morphology, its non-uniform reddening and the unknown metallicity dependence of the Cepheid period-luminosity relation. This work aims to determine accurate distances to some nearby galaxies, and subsequently help reduce the error in the extragalactic distance scale and the Hubble constant H 0 . In particular, this work presents the first distance determination of the DIRECT Project to M33 with detached eclipsing binaries. DIRECT aims to obtain a new anchor galaxy for the extragalactic distance scale by measuring direct, accurate (to 5%) distances to two Local Group galaxies, M31 and M33, with detached eclipsing binaries. It involves a massive variability survey of these galaxies and subsequent photometric and spectroscopic follow-up of the detached binaries discovered. In this work, I also present a catalog of variable stars discovered in one of the DIRECT fields, M31Y, which includes 41 eclipsing binaries. Additionally, we derive the distance to the Draco Dwarf Spheroidal galaxy, with ~100 RR Lyrae found in our first CCD variability study of this galaxy. A "hybrid" method of discovering Cepheids with ground-based telescopes is described next. It involves applying the image subtraction technique on the images obtained from ground-based telescopes and then following them up with the Hubble Space Telescope to derive Cepheid period-luminosity distances. By re-analyzing ESO Very Large Telescope data on M83 (NGC 5236), we demonstrate that this method is much more powerful for detecting variability, especially in crowded fields. I finally present photometry for the Wolf-Rayet binary WR 20a
Aspart, Florian; Ladenbauer, Josef; Obermayer, Klaus
2016-11-01
Transcranial brain stimulation and evidence of ephaptic coupling have recently sparked strong interests in understanding the effects of weak electric fields on the dynamics of brain networks and of coupled populations of neurons. The collective dynamics of large neuronal populations can be efficiently studied using single-compartment (point) model neurons of the integrate-and-fire (IF) type as their elements. These models, however, lack the dendritic morphology required to biophysically describe the effect of an extracellular electric field on the neuronal membrane voltage. Here, we extend the IF point neuron models to accurately reflect morphology dependent electric field effects extracted from a canonical spatial "ball-and-stick" (BS) neuron model. Even in the absence of an extracellular field, neuronal morphology by itself strongly affects the cellular response properties. We, therefore, derive additional components for leaky and nonlinear IF neuron models to reproduce the subthreshold voltage and spiking dynamics of the BS model exposed to both fluctuating somatic and dendritic inputs and an extracellular electric field. We show that an oscillatory electric field causes spike rate resonance, or equivalently, pronounced spike to field coherence. Its resonance frequency depends on the location of the synaptic background inputs. For somatic inputs the resonance appears in the beta and gamma frequency range, whereas for distal dendritic inputs it is shifted to even higher frequencies. Irrespective of an external electric field, the presence of a dendritic cable attenuates the subthreshold response at the soma to slowly-varying somatic inputs while implementing a low-pass filter for distal dendritic inputs. Our point neuron model extension is straightforward to implement and is computationally much more efficient compared to the original BS model. It is well suited for studying the dynamics of large populations of neurons with heterogeneous dendritic morphology with
Obermayer, Klaus
2016-01-01
Transcranial brain stimulation and evidence of ephaptic coupling have recently sparked strong interests in understanding the effects of weak electric fields on the dynamics of brain networks and of coupled populations of neurons. The collective dynamics of large neuronal populations can be efficiently studied using single-compartment (point) model neurons of the integrate-and-fire (IF) type as their elements. These models, however, lack the dendritic morphology required to biophysically describe the effect of an extracellular electric field on the neuronal membrane voltage. Here, we extend the IF point neuron models to accurately reflect morphology dependent electric field effects extracted from a canonical spatial “ball-and-stick” (BS) neuron model. Even in the absence of an extracellular field, neuronal morphology by itself strongly affects the cellular response properties. We, therefore, derive additional components for leaky and nonlinear IF neuron models to reproduce the subthreshold voltage and spiking dynamics of the BS model exposed to both fluctuating somatic and dendritic inputs and an extracellular electric field. We show that an oscillatory electric field causes spike rate resonance, or equivalently, pronounced spike to field coherence. Its resonance frequency depends on the location of the synaptic background inputs. For somatic inputs the resonance appears in the beta and gamma frequency range, whereas for distal dendritic inputs it is shifted to even higher frequencies. Irrespective of an external electric field, the presence of a dendritic cable attenuates the subthreshold response at the soma to slowly-varying somatic inputs while implementing a low-pass filter for distal dendritic inputs. Our point neuron model extension is straightforward to implement and is computationally much more efficient compared to the original BS model. It is well suited for studying the dynamics of large populations of neurons with heterogeneous dendritic morphology
DOE Office of Scientific and Technical Information (OSTI.GOV)
Fang, Yilin; Wilkins, Michael J.; Yabusaki, Steven B.
2012-12-12
Biomass and shotgun global proteomics data that reflected relative protein abundances from samples collected during the 2008 experiment at the U.S. Department of Energy Integrated Field-Scale Subsurface Research Challenge site in Rifle, Colorado, provided an unprecedented opportunity to validate a genome-scale metabolic model of Geobacter metallireducens and assess its performance with respect to prediction of metal reduction, biomass yield, and growth rate under dynamic field conditions. Reconstructed from annotated genomic sequence, biochemical, and physiological data, the constraint-based in silico model of G. metallireducens relates an annotated genome sequence to the physiological functions with 697 reactions controlled by 747 enzyme-coding genes.more » Proteomic analysis showed that 180 of the 637 G. metallireducens proteins detected during the 2008 experiment were associated with specific metabolic reactions in the in silico model. When the field-calibrated Fe(III) terminal electron acceptor process reaction in a reactive transport model for the field experiments was replaced with the genome-scale model, the model predicted that the largest metabolic fluxes through the in silico model reactions generally correspond to the highest abundances of proteins that catalyze those reactions. Central metabolism predicted by the model agrees well with protein abundance profiles inferred from proteomic analysis. Model discrepancies with the proteomic data, such as the relatively low fluxes through amino acid transport and metabolism, revealed pathways or flux constraints in the in silico model that could be updated to more accurately predict metabolic processes that occur in the subsurface environment.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Liang, Yufeng; Vinson, John; Pemmaraju, Sri
Constrained-occupancy delta-self-consistent-field (ΔSCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first principles. Using the two distinct approaches, we study the O 1s core excitations that have become increasingly important for characterizing transition-metal oxides and understanding strong electronic correlation. The ΔSCF approach, in its current single-particle form, systematically underestimates the pre-edge intensity for chosen oxides, despite its success in weakly correlated systems. By contrast, the Bethe-Salpeter equation within MBPT predicts much better line shapes. This motivates one to reexamine the many-electron dynamics of x-ray excitations. We find that the single-particle ΔSCF approach can bemore » rectified by explicitly calculating many-electron transition amplitudes, producing x-ray spectra in excellent agreement with experiments. This study paves the way to accurately predict x-ray near-edge spectral fingerprints for physics and materials science beyond the Bethe-Salpether equation.« less
Liang, Yufeng; Vinson, John; Pemmaraju, Sri; ...
2017-03-03
Constrained-occupancy delta-self-consistent-field (ΔSCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first principles. Using the two distinct approaches, we study the O 1s core excitations that have become increasingly important for characterizing transition-metal oxides and understanding strong electronic correlation. The ΔSCF approach, in its current single-particle form, systematically underestimates the pre-edge intensity for chosen oxides, despite its success in weakly correlated systems. By contrast, the Bethe-Salpeter equation within MBPT predicts much better line shapes. This motivates one to reexamine the many-electron dynamics of x-ray excitations. We find that the single-particle ΔSCF approach can bemore » rectified by explicitly calculating many-electron transition amplitudes, producing x-ray spectra in excellent agreement with experiments. This study paves the way to accurately predict x-ray near-edge spectral fingerprints for physics and materials science beyond the Bethe-Salpether equation.« less
Liang, Yufeng; Vinson, John; Pemmaraju, Sri; Drisdell, Walter S; Shirley, Eric L; Prendergast, David
2017-03-03
Constrained-occupancy delta-self-consistent-field (ΔSCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first principles. Using the two distinct approaches, we study the O 1s core excitations that have become increasingly important for characterizing transition-metal oxides and understanding strong electronic correlation. The ΔSCF approach, in its current single-particle form, systematically underestimates the pre-edge intensity for chosen oxides, despite its success in weakly correlated systems. By contrast, the Bethe-Salpeter equation within MBPT predicts much better line shapes. This motivates one to reexamine the many-electron dynamics of x-ray excitations. We find that the single-particle ΔSCF approach can be rectified by explicitly calculating many-electron transition amplitudes, producing x-ray spectra in excellent agreement with experiments. This study paves the way to accurately predict x-ray near-edge spectral fingerprints for physics and materials science beyond the Bethe-Salpether equation.
Inferring Lower Boundary Driving Conditions Using Vector Magnetic Field Observations
NASA Technical Reports Server (NTRS)
Schuck, Peter W.; Linton, Mark; Leake, James; MacNeice, Peter; Allred, Joel
2012-01-01
Low-beta coronal MHD simulations of realistic CME events require the detailed specification of the magnetic fields, velocities, densities, temperatures, etc., in the low corona. Presently, the most accurate estimates of solar vector magnetic fields are made in the high-beta photosphere. Several techniques have been developed that provide accurate estimates of the associated photospheric plasma velocities such as the Differential Affine Velocity Estimator for Vector Magnetograms and the Poloidal/Toroidal Decomposition. Nominally, these velocities are consistent with the evolution of the radial magnetic field. To evolve the tangential magnetic field radial gradients must be specified. In addition to estimating the photospheric vector magnetic and velocity fields, a further challenge involves incorporating these fields into an MHD simulation. The simulation boundary must be driven, consistent with the numerical boundary equations, with the goal of accurately reproducing the observed magnetic fields and estimated velocities at some height within the simulation. Even if this goal is achieved, many unanswered questions remain. How can the photospheric magnetic fields and velocities be propagated to the low corona through the transition region? At what cadence must we observe the photosphere to realistically simulate the corona? How do we model the magnetic fields and plasma velocities in the quiet Sun? How sensitive are the solutions to other unknowns that must be specified, such as the global solar magnetic field, and the photospheric temperature and density?
Electromagnetic field radiation model for lightning strokes to tall structures
DOE Office of Scientific and Technical Information (OSTI.GOV)
Motoyama, H.; Janischewskyj, W.; Hussein, A.M.
1996-07-01
This paper describes observation and analysis of electromagnetic field radiation from lightning strokes to tall structures. Electromagnetic field waveforms and current waveforms of lightning strokes to the CN Tower have been simultaneously measured since 1991. A new calculation model of electromagnetic field radiation is proposed. The proposed model consists of the lightning current propagation and distribution model and the electromagnetic field radiation model. Electromagnetic fields calculated by the proposed model, based on the observed lightning current at the CN Tower, agree well with the observed fields at 2km north of the tower.
NASA Astrophysics Data System (ADS)
Naserpour, Mahin; Zapata-Rodríguez, Carlos J.
2018-01-01
The evaluation of vector wave fields can be accurately performed by means of diffraction integrals, differential equations and also series expansions. In this paper, a Bessel series expansion which basis relies on the exact solution of the Helmholtz equation in cylindrical coordinates is theoretically developed for the straightforward yet accurate description of low-numerical-aperture focal waves. The validity of this approach is confirmed by explicit application to Gaussian beams and apertured focused fields in the paraxial regime. Finally we discuss how our procedure can be favorably implemented in scattering problems.
Birotor dipole model for Saturn's inner magnetic field from CASSINI RPWS measurements and MAG data
NASA Astrophysics Data System (ADS)
Galopeau, Patrick H. M.
2016-10-01
The radio and plasma wave science (RPWS) experiment on board the Cassini spacecraft, orbiting around Saturn since July 2004, revealed the presence of two distinct and variable rotation periods in the Saturnian kilometric radiation (SKR). These two periods were attributed to the northern and southern hemispheres respectively. The existence of a double period makes the study of the planetary magnetic field much more complicated and the building of a field model, based on the direct measurements of the MAG experiment from the magnetometers embarked on board Cassini, turns out to be uncertain. The first reason is the difficulty for defining a longitude system linked to the variable period, because the internal magnetic field measurements from MAG are not continuous. The second reason is the existence itself of two distinct periods which could imply the existence of a double rotation magnetic structure generated by Saturn's dynamo. However, the radio observations from the RPWS experiment allow a continuous and accurate follow-up of the rotation phase of the variable two periods, since the SKR emission is permanently observable and produced very close to the planetary surface. A wavelet transform analysis of the intensity of the SKR signal received at 290 kHz was performed in order to calculate the rotation phase of each Saturnian hemisphere. A dipole model was proposed for Saturn's inner magnetic field: this dipole presents the particularity to rotate around Saturn's axis at two different angular velocities; it is tilted and not centered. Then it is possible to fit the MAG data for each Cassini's revolution around the planet the periapsis of which is less than 5 Saturnian radii. This study suggests that Saturn's inner magnetic field is neither stationary nor fully axisymmetric. Such a result can be used as a boundary condition for modelling and constraining the planetary dynamo.
Corneille, Olivier; Hugenberg, Kurt; Potter, Timothy
2007-09-01
A new model of mental representation is applied to social cognition: the attractor field model. Using the model, the authors predicted and found a perceptual advantage but a memory disadvantage for faces displaying evaluatively congruent expressions. In Experiment 1, participants completed a same/different perceptual discrimination task involving morphed pairs of angry-to-happy Black and White faces. Pairs of faces displaying evaluatively incongruent expressions (i.e., happy Black, angry White) were more likely to be labeled as similar and were less likely to be accurately discriminated from one another than faces displaying evaluatively congruent expressions (i.e., angry Black, happy White). Experiment 2 replicated this finding and showed that objective discriminability of stimuli moderated the impact of attractor field effects on perceptual discrimination accuracy. In Experiment 3, participants completed a recognition task for angry and happy Black and White faces. Consistent with the attractor field model, memory accuracy was better for faces displaying evaluatively incongruent expressions. Theoretical and practical implications of these findings are discussed. (c) 2007 APA, all rights reserved
Accurate and efficient modeling of the detector response in small animal multi-head PET systems.
Cecchetti, Matteo; Moehrs, Sascha; Belcari, Nicola; Del Guerra, Alberto
2013-10-07
In fully three-dimensional PET imaging, iterative image reconstruction techniques usually outperform analytical algorithms in terms of image quality provided that an appropriate system model is used. In this study we concentrate on the calculation of an accurate system model for the YAP-(S)PET II small animal scanner, with the aim to obtain fully resolution- and contrast-recovered images at low levels of image roughness. For this purpose we calculate the system model by decomposing it into a product of five matrices: (1) a detector response component obtained via Monte Carlo simulations, (2) a geometric component which describes the scanner geometry and which is calculated via a multi-ray method, (3) a detector normalization component derived from the acquisition of a planar source, (4) a photon attenuation component calculated from x-ray computed tomography data, and finally, (5) a positron range component is formally included. This system model factorization allows the optimization of each component in terms of computation time, storage requirements and accuracy. The main contribution of this work is a new, efficient way to calculate the detector response component for rotating, planar detectors, that consists of a GEANT4 based simulation of a subset of lines of flight (LOFs) for a single detector head whereas the missing LOFs are obtained by using intrinsic detector symmetries. Additionally, we introduce and analyze a probability threshold for matrix elements of the detector component to optimize the trade-off between the matrix size in terms of non-zero elements and the resulting quality of the reconstructed images. In order to evaluate our proposed system model we reconstructed various images of objects, acquired according to the NEMA NU 4-2008 standard, and we compared them to the images reconstructed with two other system models: a model that does not include any detector response component and a model that approximates analytically the depth of interaction
Accurate and efficient modeling of the detector response in small animal multi-head PET systems
NASA Astrophysics Data System (ADS)
Cecchetti, Matteo; Moehrs, Sascha; Belcari, Nicola; Del Guerra, Alberto
2013-10-01
In fully three-dimensional PET imaging, iterative image reconstruction techniques usually outperform analytical algorithms in terms of image quality provided that an appropriate system model is used. In this study we concentrate on the calculation of an accurate system model for the YAP-(S)PET II small animal scanner, with the aim to obtain fully resolution- and contrast-recovered images at low levels of image roughness. For this purpose we calculate the system model by decomposing it into a product of five matrices: (1) a detector response component obtained via Monte Carlo simulations, (2) a geometric component which describes the scanner geometry and which is calculated via a multi-ray method, (3) a detector normalization component derived from the acquisition of a planar source, (4) a photon attenuation component calculated from x-ray computed tomography data, and finally, (5) a positron range component is formally included. This system model factorization allows the optimization of each component in terms of computation time, storage requirements and accuracy. The main contribution of this work is a new, efficient way to calculate the detector response component for rotating, planar detectors, that consists of a GEANT4 based simulation of a subset of lines of flight (LOFs) for a single detector head whereas the missing LOFs are obtained by using intrinsic detector symmetries. Additionally, we introduce and analyze a probability threshold for matrix elements of the detector component to optimize the trade-off between the matrix size in terms of non-zero elements and the resulting quality of the reconstructed images. In order to evaluate our proposed system model we reconstructed various images of objects, acquired according to the NEMA NU 4-2008 standard, and we compared them to the images reconstructed with two other system models: a model that does not include any detector response component and a model that approximates analytically the depth of interaction
Mapping Tamarix: New techniques for field measurements, spatial modeling and remote sensing
NASA Astrophysics Data System (ADS)
Evangelista, Paul H.
Native riparian ecosystems throughout the southwestern United States are being altered by the rapid invasion of Tamarix species, commonly known as tamarisk. The effects that tamarisk has on ecosystem processes have been poorly quantified largely due to inadequate survey methods. I tested new approaches for field measurements, spatial models and remote sensing to improve our ability measure and to map tamarisk occurrence, and provide new methods that will assist in management and control efforts. Examining allometric relationships between basal cover and height measurements collected in the field, I was able to produce several models to accurately estimate aboveground biomass. The best two models were explained 97% of the variance (R 2 = 0.97). Next, I tested five commonly used predictive spatial models to identify which methods performed best for tamarisk using different types of data collected in the field. Most spatial models performed well for tamarisk, with logistic regression performing best with an Area Under the receiver-operating characteristic Curve (AUC) of 0.89 and overall accuracy of 85%. The results of this study also suggested that models may not perform equally with different invasive species, and that results may be influenced by species traits and their interaction with environmental factors. Lastly, I tested several approaches to improve the ability to remotely sense tamarisk occurrence. Using Landsat7 ETM+ satellite scenes and derived vegetation indices for six different months of the growing season, I examined their ability to detect tamarisk individually (single-scene analyses) and collectively (time-series). My results showed that time-series analyses were best suited to distinguish tamarisk from other vegetation and landscape features (AUC = 0.96, overall accuracy = 90%). June, August and September were the best months to detect unique phenological attributes that are likely related to the species' extended growing season and green-up during
NASA Astrophysics Data System (ADS)
Lu, Biao; Luo, Zhicai; Zhong, Bo; Zhou, Hao; Flechtner, Frank; Förste, Christoph; Barthelmes, Franz; Zhou, Rui
2017-11-01
Based on tensor theory, three invariants of the gravitational gradient tensor (IGGT) are independent of the gradiometer reference frame (GRF). Compared to traditional methods for calculation of gravity field models based on the gravity field and steady-state ocean circulation explorer (GOCE) data, which are affected by errors in the attitude indicator, using IGGT and least squares method avoids the problem of inaccurate rotation matrices. The IGGT approach as studied in this paper is a quadratic function of the gravity field model's spherical harmonic coefficients. The linearized observation equations for the least squares method are obtained using a Taylor expansion, and the weighting equation is derived using the law of error propagation. We also investigate the linearization errors using existing gravity field models and find that this error can be ignored since the used a-priori model EIGEN-5C is sufficiently accurate. One problem when using this approach is that it needs all six independent gravitational gradients (GGs), but the components V_{xy} and V_{yz} of GOCE are worse due to the non-sensitive axes of the GOCE gradiometer. Therefore, we use synthetic GGs for both inaccurate gravitational gradient components derived from the a-priori gravity field model EIGEN-5C. Another problem is that the GOCE GGs are measured in a band-limited manner. Therefore, a forward and backward finite impulse response band-pass filter is applied to the data, which can also eliminate filter caused phase change. The spherical cap regularization approach (SCRA) and the Kaula rule are then applied to solve the polar gap problem caused by GOCE's inclination of 96.7° . With the techniques described above, a degree/order 240 gravity field model called IGGT_R1 is computed. Since the synthetic components of V_{xy} and V_{yz} are not band-pass filtered, the signals outside the measurement bandwidth are replaced by the a-priori model EIGEN-5C. Therefore, this model is practically a
The LUE data model for representation of agents and fields
NASA Astrophysics Data System (ADS)
de Jong, Kor; Schmitz, Oliver; Karssenberg, Derek
2017-04-01
Traditionally, agents-based and field-based modelling environments use different data models to represent the state of information they manipulate. In agent-based modelling, involving the representation of phenomena as objects bounded in space and time, agents are often represented by classes, each of which represents a particular kind of agent and all its properties. Such classes can be used to represent entities like people, birds, cars and countries. In field-based modelling, involving the representation of the environment as continuous fields, fields are often represented by a discretization of space, using multidimensional arrays, each storing mostly a single attribute. Such arrays can be used to represent the elevation of the land-surface, the pH of the soil, or the population density in an area, for example. Representing a population of agents by class instances grouped in collections is an intuitive way of organizing information. A drawback, though, is that models in which class instances grouping properties are stored in collections are less efficient (execute slower) than models in which collections of properties are grouped. The field representation, on the other hand, is convenient for the efficient execution of models. Another drawback is that, because the data models used are so different, integrating agent-based and field-based models becomes difficult, since the model builder has to deal with multiple concepts, and often multiple modelling environments. With the development of the LUE data model [1] we aim at representing agents and fields within a single paradigm, by combining the advantages of the data models used in agent-based and field-based data modelling. This removes the barrier for writing integrated agent-based and field-based models. The resulting data model is intuitive to use and allows for efficient execution of models. LUE is both a high-level conceptual data model and a low-level physical data model. The LUE conceptual data model is
A new reserve growth model for United States oil and gas fields
Verma, M.K.
2005-01-01
Reserve (or field) growth, which is an appreciation of total ultimate reserves through time, is a well-recognized phenomenon, particularly in mature petroleum provinces. The importance of forecasting reserve growth accurately in a mature petroleum province made it necessary to develop improved growth functions, and a critical review of the original Arrington method was undertaken. During a five-year (1992-1996), the original Arrington method gave 1.03% higher than the actual oil reserve growth, whereas the proposed modified method gave a value within 0.3% of the actual growth, and therefore it was accepted for the development for reserve growth models. During a five-year (1992-1996), the USGS 1995 National Assessment gave 39.3% higher oil and 33.6% lower gas than the actual growths, whereas the new model based on Modified Arrington method gave 11.9% higher oil and 29.8% lower gas than the actual growths. The new models forecast predict reserve growths of 4.2 billion barrels of oil (2.7%) and 30.2 trillion cubic feet of gas (5.4%) for the conterminous U.S. for the next five years (1997-2001). ?? 2005 International Association for Mathematical Geology.
NASA Astrophysics Data System (ADS)
Hernandez, Victor; Vera-Sánchez, Juan Antonio; Vieillevigne, Laure; Saez, Jordi
2017-08-01
Adequate modelling of the multi-leaf collimator (MLC) by treatment planning systems (TPS) is essential for accurate dose calculations in intensity-modulated radiation-therapy. For this reason modern TPSs incorporate MLC characteristics such as the leaf end curvature, MLC transmission and the tongue-and-groove. However, the modelling of the tongue-and-groove is often neglected during TPS commissioning and it is not known how accurate it is. This study evaluates the dosimetric consequences of the tongue-and-groove effect for two different MLC models using both film dosimetry and ionisation chambers. A set of comprehensive tests are presented that evaluate the ability of TPSs to accurately model this effect in (a) static fields, (b) sliding window beams and (c) VMAT arcs. The tests proposed are useful for the commissioning of TPSs and for the validation of major upgrades. With the ECLIPSE TPS, relevant differences were found between calculations and measurements for beams with dynamic MLCs in the presence of the TG effect, especially for the High Definition MLC, small gap sizes and the 1 mm calculation grid. For this combination, dose differences as high as 10% and 7% were obtained for dynamic MLC gaps of 5 mm and 10 mm, respectively. These differences indicate inadequate modelling of the tongue-and-groove effect, which might not be identified without the proposed tests. In particular, the TPS tended to underestimate the calculated dose, which may require tuning of other configuration parameters in the TPS (such as the dosimetric leaf gap) in order to maximise the agreement between calculations and measurements in clinical plans. In conclusion, a need for better modelling of the MLC by TPSs is demonstrated, one of the relevant aspects being the tongue-and-groove effect. This would improve the accuracy of TPS calculations, especially for plans using small MLC gaps, such as plans with small target volumes or high complexities. Improved modelling of the MLC would
Regional gravity field modelling from GOCE observables
NASA Astrophysics Data System (ADS)
Pitoňák, Martin; Šprlák, Michal; Novák, Pavel; Tenzer, Robert
2017-01-01
In this article we discuss a regional recovery of gravity disturbances at the mean geocentric sphere approximating the Earth over the area of Central Europe from satellite gravitational gradients. For this purpose, we derive integral formulas which allow converting the gravity disturbances onto the disturbing gravitational gradients in the local north-oriented frame (LNOF). The derived formulas are free of singularities in case of r ≠ R . We then investigate three numerical approaches for solving their inverses. In the initial approach, the integral formulas are firstly modified for solving individually the near- and distant-zone contributions. While the effect of the near-zone gravitational gradients is solved as an inverse problem, the effect of the distant-zone gravitational gradients is computed by numerical integration from the global gravitational model (GGM) TIM-r4. In the second approach, we further elaborate the first scenario by reducing measured gravitational gradients for gravitational effects of topographic masses. In the third approach, we apply additional modification by reducing gravitational gradients for the reference GGM. In all approaches we determine the gravity disturbances from each of the four accurately measured gravitational gradients separately as well as from their combination. Our regional gravitational field solutions are based on the GOCE EGG_TRF_2 gravitational gradients collected within the period from November 1 2009 until January 11 2010. Obtained results are compared with EGM2008, DIR-r1, TIM-r1 and SPW-r1. The best fit, in terms of RMS (2.9 mGal), is achieved for EGM2008 while using the third approach which combine all four well-measured gravitational gradients. This is explained by the fact that a-priori information about the Earth's gravitational field up to the degree and order 180 was used.
Using the full tensor of GOCE gravity gradients for regional gravity field modelling
NASA Astrophysics Data System (ADS)
Lieb, Verena; Bouman, Johannes; Dettmering, Denise; Fuchs, Martin; Schmidt, Michael
2013-04-01
With its 3-axis gradiometer GOCE delivers 3-dimensional (3D) information of the Earth's gravity field. This essential advantage - e.g. compared with the 1D gravity field information from GRACE - can be used for research on the Earth's interior and for geophysical exploration. To benefit from this multidimensional measurement system, the combination of all 6 GOCE gradients and additionally the consistent combination with other gravity observations mean an innovative challenge for regional gravity field modelling. As the individual gravity gradients reflect the gravity field depending on different spatial directions, observation equations are formulated separately for each of these components. In our approach we use spherical localizing base functions to display the gravity field for specified regions. Therefore the series expansions based on Legendre polynomials have to be adopted to obtain mathematical expressions for the second derivatives of the gravitational potential which are observed by GOCE in the Cartesian Gradiometer Reference Frame (GRF). We (1) have to transform the equations from the spherical terrestrial into a Cartesian Local North-Oriented Reference Frame (LNOF), (2) to set up a 3x3 tensor of observation equations and (3) finally to rotate the tensor defined in the terrestrial LNOF into the GRF. Thus we ensure the use of the original non-rotated and unaffected GOCE measurements within the analysis procedure. As output from the synthesis procedure we then obtain the second derivatives of the gravitational potential for all combinations of the xyz Cartesian coordinates in the LNOF. Further the implementation of variance component estimation provides a flexible tool to diversify the influence of the input gradiometer observations. On the one hand the less accurate xy and yz measurements are nearly excluded by estimating large variance components. On the other hand the yy measurements, which show systematic errors increasing at high latitudes, could be
Multi-fidelity machine learning models for accurate bandgap predictions of solids
DOE Office of Scientific and Technical Information (OSTI.GOV)
Pilania, Ghanshyam; Gubernatis, James E.; Lookman, Turab
Here, we present a multi-fidelity co-kriging statistical learning framework that combines variable-fidelity quantum mechanical calculations of bandgaps to generate a machine-learned model that enables low-cost accurate predictions of the bandgaps at the highest fidelity level. Additionally, the adopted Gaussian process regression formulation allows us to predict the underlying uncertainties as a measure of our confidence in the predictions. In using a set of 600 elpasolite compounds as an example dataset and using semi-local and hybrid exchange correlation functionals within density functional theory as two levels of fidelities, we demonstrate the excellent learning performance of the method against actual high fidelitymore » quantum mechanical calculations of the bandgaps. The presented statistical learning method is not restricted to bandgaps or electronic structure methods and extends the utility of high throughput property predictions in a significant way.« less
Multi-fidelity machine learning models for accurate bandgap predictions of solids
Pilania, Ghanshyam; Gubernatis, James E.; Lookman, Turab
2016-12-28
Here, we present a multi-fidelity co-kriging statistical learning framework that combines variable-fidelity quantum mechanical calculations of bandgaps to generate a machine-learned model that enables low-cost accurate predictions of the bandgaps at the highest fidelity level. Additionally, the adopted Gaussian process regression formulation allows us to predict the underlying uncertainties as a measure of our confidence in the predictions. In using a set of 600 elpasolite compounds as an example dataset and using semi-local and hybrid exchange correlation functionals within density functional theory as two levels of fidelities, we demonstrate the excellent learning performance of the method against actual high fidelitymore » quantum mechanical calculations of the bandgaps. The presented statistical learning method is not restricted to bandgaps or electronic structure methods and extends the utility of high throughput property predictions in a significant way.« less
NASA Astrophysics Data System (ADS)
van Reenen, Alexander; Gao, Yang; Bos, Arjen H.; de Jong, Arthur M.; Hulsen, Martien A.; den Toonder, Jaap M. J.; Prins, Menno W. J.
2013-07-01
The application of magnetic particles in biomedical research and in-vitro diagnostics requires accurate characterization of their magnetic properties, with single-particle resolution and good statistics. Here, we report intra-pair magnetophoresis as a method to accurately quantify the field-dependent magnetic moments of magnetic particles and to rapidly generate histograms of the magnetic moments with good statistics. We demonstrate our method with particles of different sizes and from different sources, with a measurement precision of a few percent. We expect that intra-pair magnetophoresis will be a powerful tool for the characterization and improvement of particles for the upcoming field of particle-based nanobiotechnology.
Junttila, Virpi; Kauranne, Tuomo; Finley, Andrew O.; Bradford, John B.
2015-01-01
Modern operational forest inventory often uses remotely sensed data that cover the whole inventory area to produce spatially explicit estimates of forest properties through statistical models. The data obtained by airborne light detection and ranging (LiDAR) correlate well with many forest inventory variables, such as the tree height, the timber volume, and the biomass. To construct an accurate model over thousands of hectares, LiDAR data must be supplemented with several hundred field sample measurements of forest inventory variables. This can be costly and time consuming. Different LiDAR-data-based and spatial-data-based sampling designs can reduce the number of field sample plots needed. However, problems arising from the features of the LiDAR data, such as a large number of predictors compared with the sample size (overfitting) or a strong correlation among predictors (multicollinearity), may decrease the accuracy and precision of the estimates and predictions. To overcome these problems, a Bayesian linear model with the singular value decomposition of predictors, combined with regularization, is proposed. The model performance in predicting different forest inventory variables is verified in ten inventory areas from two continents, where the number of field sample plots is reduced using different sampling designs. The results show that, with an appropriate field plot selection strategy and the proposed linear model, the total relative error of the predicted forest inventory variables is only 5%–15% larger using 50 field sample plots than the error of a linear model estimated with several hundred field sample plots when we sum up the error due to both the model noise variance and the model’s lack of fit.
Field measurement of moisture-buffering model inputs for residential buildings
Woods, Jason; Winkler, Jon
2016-02-05
Moisture adsorption and desorption in building materials impact indoor humidity. This effect should be included in building-energy simulations, particularly when humidity is being investigated or controlled. Several models can calculate this moisture-buffering effect, but accurate ones require model inputs that are not always known to the user of the building-energy simulation. This research developed an empirical method to extract whole-house model inputs for the effective moisture penetration depth (EMPD) model. The experimental approach was to subject the materials in the house to a square-wave relative-humidity profile, measure all of the moisture-transfer terms (e.g., infiltration, air-conditioner condensate), and calculate the onlymore » unmeasured term—the moisture sorption into the materials. We validated this method with laboratory measurements, which we used to measure the EMPD model inputs of two houses. After deriving these inputs, we measured the humidity of the same houses during tests with realistic latent and sensible loads and demonstrated the accuracy of this approach. Furthermore, these results show that the EMPD model, when given reasonable inputs, is an accurate moisture-buffering model.« less
Modeling Electric Field Influences on Plasmaspheric Refilling
NASA Technical Reports Server (NTRS)
Liemohn, M. W.; Kozyra, J. U.; Khazanov, G. V.; Craven, Paul D.
1998-01-01
We have a new model of ion transport that we have applied to the problem of plasmaspheric flux tube refilling after a geomagnetic disturbance. This model solves the Fokker-Planck kinetic equation by applying discrete difference numerical schemes to the various operators. Features of the model include a time-varying ionospheric source, self-consistent Coulomb collisions, field-aligned electric field, hot plasma interactions, and ion cyclotron wave heating. We see refilling rates similar to those of earlier observations and models, except when the electric field is included. In this case, the refilling rates can be quite different that previously predicted. Depending on the populations included and the values of relevant parameters, trap zone densities can increase or decrease. In particular, the inclusion of hot populations near the equatorial region (specifically warm pancake distributions and ring current ions) can dramatically alter the refilling rate. Results are compared with observations as well as previous hydrodynamic and kinetic particle model simulations.
On the electric field model for an open magnetosphere
NASA Technical Reports Server (NTRS)
Wang, Zhi; Ashour-Abdalla, Maha; Walker, Raymond J.
1993-01-01
We have developed a new canonical separator line type magnetospheric magnetic field and electric field model for use in magnetospheric calculations, we determine the magnetic and electric field by controlling the reconnection rate at the subsolar magnetopause. The model is applicable only for purely southward interplanetary magnetic field (IMF). We have obtained a more realistic magnetotail configuration by applying a stretch transformation to an axially symmetric field solution. We also discuss the Stern singularity in which there is an electric field singlarity in the canonical separate line models for B(sub y) not = to 0 by using a new technique that solves for the electric field along a field line directly instead of determining it by a potential mapping. The singularity not only causes an infinite electric field on the polar cap, but also causes the boundary conditions at plus infinity and minus infinity in the solar wind to contradict each other. This means that the canonical separator line models do not represent the open magnetosphere well, except for the case of purely southward IMF.
NASA Astrophysics Data System (ADS)
Gleason, M. J.; Pitlick, J.; Buttenfield, B. P.
2011-12-01
Terrestrial laser scanning (TLS) represents a new and particularly effective remote sensing technique for investigating geomorphologic processes. Unfortunately, TLS data are commonly characterized by extremely large volume, heterogeneous point distribution, and erroneous measurements, raising challenges for applied researchers. To facilitate efficient and accurate use of TLS in geomorphology, and to improve accessibility for TLS processing in commercial software environments, we are developing a filtering method for raw TLS data to: eliminate data redundancy; produce a more uniformly spaced dataset; remove erroneous measurements; and maintain the ability of the TLS dataset to accurately model terrain. Our method conducts local aggregation of raw TLS data using a 3-D search algorithm based on the geometrical expression of expected random errors in the data. This approach accounts for the estimated accuracy and precision limitations of the instruments and procedures used in data collection, thereby allowing for identification and removal of potential erroneous measurements prior to data aggregation. Initial tests of the proposed technique on a sample TLS point cloud required a modest processing time of approximately 100 minutes to reduce dataset volume over 90 percent (from 12,380,074 to 1,145,705 points). Preliminary analysis of the filtered point cloud revealed substantial improvement in homogeneity of point distribution and minimal degradation of derived terrain models. We will test the method on two independent TLS datasets collected in consecutive years along a non-vegetated reach of the North Fork Toutle River in Washington. We will evaluate the tool using various quantitative, qualitative, and statistical methods. The crux of this evaluation will include a bootstrapping analysis to test the ability of the filtered datasets to model the terrain at roughly the same accuracy as the raw datasets.
NASA Astrophysics Data System (ADS)
Bouchoux, Guillaume; Bader, Kenneth B.; Korfhagen, Joseph J.; Raymond, Jason L.; Shivashankar, Ravishankar; Abruzzo, Todd A.; Holland, Christy K.
2012-12-01
The prevalence of stroke worldwide and the paucity of effective therapies have triggered interest in the use of transcranial ultrasound as an adjuvant to thrombolytic therapy. Previous studies have shown that 120 kHz ultrasound enhanced thrombolysis and allowed efficient penetration through the temporal bone. The objective of our study was to develop an accurate finite-difference model of acoustic propagation through the skull based on computed tomography (CT) images. The computational approach, which neglected shear waves, was compared with a simple analytical model including shear waves. Acoustic pressure fields from a two-element annular array (120 and 60 kHz) were acquired in vitro in four human skulls. Simulations were performed using registered CT scans and a source term determined by acoustic holography. Mean errors below 14% were found between simulated pressure fields and corresponding measurements. Intracranial peak pressures were systematically underestimated and reflections from the contralateral bone were overestimated. Determination of the acoustic impedance of the bone from the CT images was the likely source of error. High correlation between predictions and measurements (R2 = 0.93 and R2 = 0.88 for transmitted and reflected waves amplitude, respectively) demonstrated that this model is suitable for a quantitative estimation of acoustic fields generated during 40-200 kHz ultrasound-enhanced ischemic stroke treatment.
Lung ultrasound accurately detects pneumothorax in a preterm newborn lamb model.
Blank, Douglas A; Hooper, Stuart B; Binder-Heschl, Corinna; Kluckow, Martin; Gill, Andrew W; LaRosa, Domenic A; Inocencio, Ishmael M; Moxham, Alison; Rodgers, Karyn; Zahra, Valerie A; Davis, Peter G; Polglase, Graeme R
2016-06-01
Pneumothorax is a common emergency affecting extremely preterm. In adult studies, lung ultrasound has performed better than chest x-ray in the diagnosis of pneumothorax. The purpose of this study was to determine the efficacy of lung ultrasound (LUS) examination to detect pneumothorax using a preterm animal model. This was a prospective, observational study using newborn Border-Leicester lambs at gestational age = 126 days (equivalent to gestational age = 26 weeks in humans) receiving mechanical ventilation from birth to 2 h of life. At the conclusion of the experiment, LUS was performed, the lambs were then euthanised and a post-mortem exam was immediately performed. We used previously published ultrasound techniques to identify pneumothorax. Test characteristics of LUS to detect pneumothorax were calculated, using the post-mortem exam as the 'gold standard' test. Nine lambs (18 lungs) were examined. Four lambs had a unilateral pneumothorax, all of which were identified by LUS with no false positives. This was the first study to use post-mortem findings to test the efficacy of LUS to detect pneumothorax in a newborn animal model. Lung ultrasound accurately detected pneumothorax, verified by post-mortem exam, in premature, newborn lambs. © 2016 Paediatrics and Child Health Division (The Royal Australasian College of Physicians).
Yin, Jian; Fenley, Andrew T.; Henriksen, Niel M.; Gilson, Michael K.
2015-01-01
Improving the capability of atomistic computer models to predict the thermodynamics of noncovalent binding is critical for successful structure-based drug design, and the accuracy of such calculations remains limited by non-optimal force field parameters. Ideally, one would incorporate protein-ligand affinity data into force field parametrization, but this would be inefficient and costly. We now demonstrate that sensitivity analysis can be used to efficiently tune Lennard-Jones parameters of aqueous host-guest systems for increasingly accurate calculations of binding enthalpy. These results highlight the promise of a comprehensive use of calorimetric host-guest binding data, along with existing validation data sets, to improve force field parameters for the simulation of noncovalent binding, with the ultimate goal of making protein-ligand modeling more accurate and hence speeding drug discovery. PMID:26181208
Santillán, David; Juanes, Ruben; Cueto-Felgueroso, Luis
2017-04-20
Propagation of fluid-driven fractures plays an important role in natural and engineering processes, including transport of magma in the lithosphere, geologic sequestration of carbon dioxide, and oil and gas recovery from low-permeability formations, among many others. The simulation of fracture propagation poses a computational challenge as a result of the complex physics of fracture and the need to capture disparate length scales. Phase field models represent fractures as a diffuse interface and enjoy the advantage that fracture nucleation, propagation, branching, or twisting can be simulated without ad hoc computational strategies like remeshing or local enrichment of the solution space. Heremore » we propose a new quasi-static phase field formulation for modeling fluid-driven fracturing in elastic media at small strains. The approach fully couples the fluid flow in the fracture (described via the Reynolds lubrication approximation) and the deformation of the surrounding medium. The flow is solved on a lower dimensionality mesh immersed in the elastic medium. This approach leads to accurate coupling of both physics. We assessed the performance of the model extensively by comparing results for the evolution of fracture length, aperture, and fracture fluid pressure against analytical solutions under different fracture propagation regimes. Thus, the excellent performance of the numerical model in all regimes builds confidence in the applicability of phase field approaches to simulate fluid-driven fracture.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Santillán, David; Juanes, Ruben; Cueto-Felgueroso, Luis
Propagation of fluid-driven fractures plays an important role in natural and engineering processes, including transport of magma in the lithosphere, geologic sequestration of carbon dioxide, and oil and gas recovery from low-permeability formations, among many others. The simulation of fracture propagation poses a computational challenge as a result of the complex physics of fracture and the need to capture disparate length scales. Phase field models represent fractures as a diffuse interface and enjoy the advantage that fracture nucleation, propagation, branching, or twisting can be simulated without ad hoc computational strategies like remeshing or local enrichment of the solution space. Heremore » we propose a new quasi-static phase field formulation for modeling fluid-driven fracturing in elastic media at small strains. The approach fully couples the fluid flow in the fracture (described via the Reynolds lubrication approximation) and the deformation of the surrounding medium. The flow is solved on a lower dimensionality mesh immersed in the elastic medium. This approach leads to accurate coupling of both physics. We assessed the performance of the model extensively by comparing results for the evolution of fracture length, aperture, and fracture fluid pressure against analytical solutions under different fracture propagation regimes. Thus, the excellent performance of the numerical model in all regimes builds confidence in the applicability of phase field approaches to simulate fluid-driven fracture.« less
Accurate 3d Textured Models of Vessels for the Improvement of the Educational Tools of a Museum
NASA Astrophysics Data System (ADS)
Soile, S.; Adam, K.; Ioannidis, C.; Georgopoulos, A.
2013-02-01
Besides the demonstration of the findings, modern museums organize educational programs which aim to experience and knowledge sharing combined with entertainment rather than to pure learning. Toward that effort, 2D and 3D digital representations are gradually replacing the traditional recording of the findings through photos or drawings. The present paper refers to a project that aims to create 3D textured models of two lekythoi that are exhibited in the National Archaeological Museum of Athens in Greece; on the surfaces of these lekythoi scenes of the adventures of Odysseus are depicted. The project is expected to support the production of an educational movie and some other relevant interactive educational programs for the museum. The creation of accurate developments of the paintings and of accurate 3D models is the basis for the visualization of the adventures of the mythical hero. The data collection was made by using a structured light scanner consisting of two machine vision cameras that are used for the determination of geometry of the object, a high resolution camera for the recording of the texture, and a DLP projector. The creation of the final accurate 3D textured model is a complicated and tiring procedure which includes the collection of geometric data, the creation of the surface, the noise filtering, the merging of individual surfaces, the creation of a c-mesh, the creation of the UV map, the provision of the texture and, finally, the general processing of the 3D textured object. For a better result a combination of commercial and in-house software made for the automation of various steps of the procedure was used. The results derived from the above procedure were especially satisfactory in terms of accuracy and quality of the model. However, the procedure was proved to be time consuming while the use of various software packages presumes the services of a specialist.
Hansen, Katja; Biegler, Franziska; Ramakrishnan, Raghunathan; ...
2015-06-04
Simultaneously accurate and efficient prediction of molecular properties throughout chemical compound space is a critical ingredient toward rational compound design in chemical and pharmaceutical industries. Aiming toward this goal, we develop and apply a systematic hierarchy of efficient empirical methods to estimate atomization and total energies of molecules. These methods range from a simple sum over atoms, to addition of bond energies, to pairwise interatomic force fields, reaching to the more sophisticated machine learning approaches that are capable of describing collective interactions between many atoms or bonds. In the case of equilibrium molecular geometries, even simple pairwise force fields demonstratemore » prediction accuracy comparable to benchmark energies calculated using density functional theory with hybrid exchange-correlation functionals; however, accounting for the collective many-body interactions proves to be essential for approaching the “holy grail” of chemical accuracy of 1 kcal/mol for both equilibrium and out-of-equilibrium geometries. This remarkable accuracy is achieved by a vectorized representation of molecules (so-called Bag of Bonds model) that exhibits strong nonlocality in chemical space. The same representation allows us to predict accurate electronic properties of molecules, such as their polarizability and molecular frontier orbital energies.« less
2015-01-01
Simultaneously accurate and efficient prediction of molecular properties throughout chemical compound space is a critical ingredient toward rational compound design in chemical and pharmaceutical industries. Aiming toward this goal, we develop and apply a systematic hierarchy of efficient empirical methods to estimate atomization and total energies of molecules. These methods range from a simple sum over atoms, to addition of bond energies, to pairwise interatomic force fields, reaching to the more sophisticated machine learning approaches that are capable of describing collective interactions between many atoms or bonds. In the case of equilibrium molecular geometries, even simple pairwise force fields demonstrate prediction accuracy comparable to benchmark energies calculated using density functional theory with hybrid exchange-correlation functionals; however, accounting for the collective many-body interactions proves to be essential for approaching the “holy grail” of chemical accuracy of 1 kcal/mol for both equilibrium and out-of-equilibrium geometries. This remarkable accuracy is achieved by a vectorized representation of molecules (so-called Bag of Bonds model) that exhibits strong nonlocality in chemical space. In addition, the same representation allows us to predict accurate electronic properties of molecules, such as their polarizability and molecular frontier orbital energies. PMID:26113956
The field-space metric in spiral inflation and related models
DOE Office of Scientific and Technical Information (OSTI.GOV)
Erlich, Joshua; Olsen, Jackson; Wang, Zhen
2016-09-22
Multi-field inflation models include a variety of scenarios for how inflation proceeds and ends. Models with the same potential but different kinetic terms are common in the literature. We compare spiral inflation and Dante’s inferno-type models, which differ only in their field-space metric. We justify a single-field effective description in these models and relate the single-field description to a mass-matrix formalism. We note the effects of the nontrivial field-space metric on inflationary observables, and consequently on the viability of these models. We also note a duality between spiral inflation and Dante’s inferno models with different potentials.
Experimental evaluation of radiosity for room sound-field prediction.
Hodgson, Murray; Nosal, Eva-Marie
2006-08-01
An acoustical radiosity model was evaluated for how it performs in predicting real room sound fields. This was done by comparing radiosity predictions with experimental results for three existing rooms--a squash court, a classroom, and an office. Radiosity predictions were also compared with those by ray tracing--a "reference" prediction model--for both specular and diffuse surface reflection. Comparisons were made for detailed and discretized echograms, sound-decay curves, sound-propagation curves, and the variations with frequency of four room-acoustical parameters--EDT, RT, D50, and C80. In general, radiosity and diffuse ray tracing gave very similar predictions. Predictions by specular ray tracing were often very different. Radiosity agreed well with experiment in some cases, less well in others. Definitive conclusions regarding the accuracy with which the rooms were modeled, or the accuracy of the radiosity approach, were difficult to draw. The results suggest that radiosity predicts room sound fields with some accuracy, at least as well as diffuse ray tracing and, in general, better than specular ray tracing. The predictions of detailed echograms are less accurate, those of derived room-acoustical parameters more accurate. The results underline the need to develop experimental methods for accurately characterizing the absorptive and reflective characteristics of room surfaces, possible including phase.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Poduval, B., E-mail: bpoduval@spacescience.org
2016-08-10
This Letter presents the results of an investigation into the controlling influence of large-scale magnetic field of the Sun in determining the solar wind outflow using two magnetostatic coronal models: current sheet source surface (CSSS) and potential field source surface. For this, we made use of the Wang and Sheeley inverse correlation between magnetic flux expansion rate (FTE) and observed solar wind speed (SWS) at 1 au. During the period of study, extended over solar cycle 23 and beginning of solar cycle 24, we found that the coefficients of the fitted quadratic equation representing the FTE–SWS inverse relation exhibited significantmore » temporal variation, implying the changing pattern of the influence of FTE on SWS over time. A particularly noteworthy feature is an anomaly in the behavior of the fitted coefficients during the extended minimum, 2008–2010 (CRs 2073–2092), which is considered due to the particularly complex nature of the solar magnetic field during this period. However, this variation was significant only for the CSSS model, though not a systematic dependence on the phase of the solar cycle. Further, we noticed that the CSSS model demonstrated better solar wind prediction during the period of study, which we attribute to the treatment of volume and sheet currents throughout the corona and the more accurate tracing of footpoint locations resulting from the geometry of the model.« less
Sensorimotor Learning Biases Choice Behavior: A Learning Neural Field Model for Decision Making
Schöner, Gregor; Gail, Alexander
2012-01-01
According to a prominent view of sensorimotor processing in primates, selection and specification of possible actions are not sequential operations. Rather, a decision for an action emerges from competition between different movement plans, which are specified and selected in parallel. For action choices which are based on ambiguous sensory input, the frontoparietal sensorimotor areas are considered part of the common underlying neural substrate for selection and specification of action. These areas have been shown capable of encoding alternative spatial motor goals in parallel during movement planning, and show signatures of competitive value-based selection among these goals. Since the same network is also involved in learning sensorimotor associations, competitive action selection (decision making) should not only be driven by the sensory evidence and expected reward in favor of either action, but also by the subject's learning history of different sensorimotor associations. Previous computational models of competitive neural decision making used predefined associations between sensory input and corresponding motor output. Such hard-wiring does not allow modeling of how decisions are influenced by sensorimotor learning or by changing reward contingencies. We present a dynamic neural field model which learns arbitrary sensorimotor associations with a reward-driven Hebbian learning algorithm. We show that the model accurately simulates the dynamics of action selection with different reward contingencies, as observed in monkey cortical recordings, and that it correctly predicted the pattern of choice errors in a control experiment. With our adaptive model we demonstrate how network plasticity, which is required for association learning and adaptation to new reward contingencies, can influence choice behavior. The field model provides an integrated and dynamic account for the operations of sensorimotor integration, working memory and action selection required for
Correcting GOES-R Magnetometer Data for Stray Fields
NASA Technical Reports Server (NTRS)
Carter, Delano R.; Freesland, Douglas C.; Tadikonda, Sivakumara K.; Kronenwetter, Jeffrey; Todirita, Monica; Dahya, Melissa; Chu, Donald
2016-01-01
Time-varying spacecraft magnetic fields or stray fields are a problem for magnetometer systems. While constant fields can be removed with zero offset calibration, stray fields are difficult to distinguish from ambient field variations. Putting two magnetometers on a long boom and solving for both the ambient and stray fields can be a good idea, but this gradiometer solution is even more susceptible to noise than a single magnetometer. Unless the stray fields are larger than the magnetometer noise, simply averaging the two measurements is a more accurate approach. If averaging is used, it may be worthwhile to explicitly estimate and remove stray fields. Models and estimation algorithms are provided for solar array, arcjet and reaction wheel fields.
NASA Astrophysics Data System (ADS)
Sundarabalan, B.; Shanmugam, P.
2014-09-01
A reliable radiative transfer model is an essential and indispensable tool for understanding of the radiative transfer processes in homogenous and layered waters, analyzing measurements made by radiance sensors and developing remote sensing algorithms to derive meaningful physical quantities and biogeochemical variables in turbid and productive coastal waters. Existing radiative transfer models have been designed to be applicable to either homogenous waters or inhomogeneous waters. To overcome such constraints associated with these models, this study presents a radiative transfer model that treats a homogenous layer as a diffuse part and an inhomogeneous layer as a direct part in the water column and combines these two parts appropriately in order to generate more reliable underwater light field data such as upwelling radiance (Lu), downwelling irradiance (Ed) and upwelling irradiance (Eu). The diffuse model assumes the inherent optical properties (IOPs) to be vertically continuous and the light fields to exponentially decrease with the depth, whereas the direct part considers the water column to be vertically inhomogeneous (layer-by-layer phenomena) with the vertically varying phase function. The surface and bottom boundary conditions, source function due to chlorophyll and solar incident geometry are also included in the present RT model. The performance of this model is assessed in a variety of waters (clear, turbid and eutrophic) using the measured radiometric data. The present model shows an advantage in terms of producing accurate Lu, Ed and Eu profiles (in spatial domain) in different waters determined by both homogenous and inhomogeneous conditions. The feasibility of predicting these underwater light fields based on the remotely estimated IOP data is also examined using the present RT model. For this application, vertical profiles of the water constituents and IOPs are estimated by empirical models based on our in-situ data. The present RT model generates
NASA Astrophysics Data System (ADS)
Sundarabalan, B.; Shanmugam, P.
2015-01-01
A reliable radiative transfer (RT) model is an essential and indispensable tool for understanding the radiative transfer processes in homogenous and layered waters, analyzing measurements made by radiance sensors and developing remote-sensing algorithms to derive meaningful physical quantities and biogeochemical variables in turbid and productive coastal waters. Existing radiative transfer models have been designed to be applicable to either homogenous waters or inhomogeneous waters. To overcome such constraints associated with these models, this study presents a radiative transfer model that treats a homogenous layer as a diffuse part and an inhomogeneous layer as a direct part in the water column and combines these two parts appropriately in order to generate more reliable underwater light-field data such as upwelling radiance (Lu), downwelling irradiance (Ed) and upwelling irradiance (Eu). The diffuse model assumes the inherent optical properties (IOPs) to be vertically continuous and the light fields to exponentially decrease with depth, whereas the direct part considers the water column to be vertically inhomogeneous (layer-by-layer phenomena) with the vertically varying phase function. The surface and bottom boundary conditions, source function due to chlorophyll and solar incident geometry are also included in the present RT model. The performance of this model is assessed in a variety of waters (clear, turbid and eutrophic) using the measured radiometric data. The present model shows an advantage in terms of producing accurate Lu, Ed and Eu profiles (in spatial domain) in different waters determined by both homogenous and inhomogeneous conditions. The feasibility of predicting these underwater light fields based on the remotely estimated IOP data is also examined using the present RT model. For this application, vertical profiles of the water constituents and IOPs are estimated by empirical models based on our in situ data. The present RT model generates Lu
Modeling streams and hydrogeomorphic attributes in Oregon from digital and field data
Sharon E. Clarke; Kelly M. Burnett; Daniel J. Miller
2008-01-01
Managers, regulators, and researchers of aquatic ecosystems are increasingly pressed to consider large areas. However, accurate stream maps with geo-referenced attributes are uncommon over relevant spatial extents. Field inventories provide high-quality data, particularly for habitat characteristics at fine spatial resolutions (e.g., large wood), but are costly and so...
Reynolds, Andrew M.; Lihoreau, Mathieu; Chittka, Lars
2013-01-01
Pollinating bees develop foraging circuits (traplines) to visit multiple flowers in a manner that minimizes overall travel distance, a task analogous to the travelling salesman problem. We report on an in-depth exploration of an iterative improvement heuristic model of bumblebee traplining previously found to accurately replicate the establishment of stable routes by bees between flowers distributed over several hectares. The critical test for a model is its predictive power for empirical data for which the model has not been specifically developed, and here the model is shown to be consistent with observations from different research groups made at several spatial scales and using multiple configurations of flowers. We refine the model to account for the spatial search strategy of bees exploring their environment, and test several previously unexplored predictions. We find that the model predicts accurately 1) the increasing propensity of bees to optimize their foraging routes with increasing spatial scale; 2) that bees cannot establish stable optimal traplines for all spatial configurations of rewarding flowers; 3) the observed trade-off between travel distance and prioritization of high-reward sites (with a slight modification of the model); 4) the temporal pattern with which bees acquire approximate solutions to travelling salesman-like problems over several dozen foraging bouts; 5) the instability of visitation schedules in some spatial configurations of flowers; 6) the observation that in some flower arrays, bees' visitation schedules are highly individually different; 7) the searching behaviour that leads to efficient location of flowers and routes between them. Our model constitutes a robust theoretical platform to generate novel hypotheses and refine our understanding about how small-brained insects develop a representation of space and use it to navigate in complex and dynamic environments. PMID:23505353
Accurate complex scaling of three dimensional numerical potentials
DOE Office of Scientific and Technical Information (OSTI.GOV)
Cerioni, Alessandro; Genovese, Luigi; Duchemin, Ivan
2013-05-28
The complex scaling method, which consists in continuing spatial coordinates into the complex plane, is a well-established method that allows to compute resonant eigenfunctions of the time-independent Schroedinger operator. Whenever it is desirable to apply the complex scaling to investigate resonances in physical systems defined on numerical discrete grids, the most direct approach relies on the application of a similarity transformation to the original, unscaled Hamiltonian. We show that such an approach can be conveniently implemented in the Daubechies wavelet basis set, featuring a very promising level of generality, high accuracy, and no need for artificial convergence parameters. Complex scalingmore » of three dimensional numerical potentials can be efficiently and accurately performed. By carrying out an illustrative resonant state computation in the case of a one-dimensional model potential, we then show that our wavelet-based approach may disclose new exciting opportunities in the field of computational non-Hermitian quantum mechanics.« less
NASA Astrophysics Data System (ADS)
Reinisch, Guillaume; Leyssale, Jean-Marc; Vignoles, Gérard L.
2010-10-01
We present an extension of some popular hindered rotor (HR) models, namely, the one-dimensional HR (1DHR) and the degenerated two-dimensional HR (d2DHR) models, allowing for a simple and accurate treatment of internal rotations. This extension, based on the use of a variable kinetic function in the Hamiltonian instead of a constant reduced moment of inertia, is extremely suitable in the case of rocking/wagging motions involved in dissociation or atom transfer reactions. The variable kinetic function is first introduced in the framework of a classical 1DHR model. Then, an effective temperature and potential dependent constant is proposed in the cases of quantum 1DHR and classical d2DHR models. These methods are finally applied to the atom transfer reaction SiCl3+BCl3→SiCl4+BCl2. We show, for this particular case, that a proper accounting of internal rotations greatly improves the accuracy of thermodynamic and kinetic predictions. Moreover, our results confirm (i) that using a suitably defined kinetic function appears to be very adapted to such problems; (ii) that the separability assumption of independent rotations seems justified; and (iii) that a quantum mechanical treatment is not a substantial improvement with respect to a classical one.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Nielsen, Jens; D’Avezac, Mayeul; Hetherington, James
2013-12-14
Ab initio kinetic Monte Carlo (KMC) simulations have been successfully applied for over two decades to elucidate the underlying physico-chemical phenomena on the surfaces of heterogeneous catalysts. These simulations necessitate detailed knowledge of the kinetics of elementary reactions constituting the reaction mechanism, and the energetics of the species participating in the chemistry. The information about the energetics is encoded in the formation energies of gas and surface-bound species, and the lateral interactions between adsorbates on the catalytic surface, which can be modeled at different levels of detail. The majority of previous works accounted for only pairwise-additive first nearest-neighbor interactions. Moremore » recently, cluster-expansion Hamiltonians incorporating long-range interactions and many-body terms have been used for detailed estimations of catalytic rate [C. Wu, D. J. Schmidt, C. Wolverton, and W. F. Schneider, J. Catal. 286, 88 (2012)]. In view of the increasing interest in accurate predictions of catalytic performance, there is a need for general-purpose KMC approaches incorporating detailed cluster expansion models for the adlayer energetics. We have addressed this need by building on the previously introduced graph-theoretical KMC framework, and we have developed Zacros, a FORTRAN2003 KMC package for simulating catalytic chemistries. To tackle the high computational cost in the presence of long-range interactions we introduce parallelization with OpenMP. We further benchmark our framework by simulating a KMC analogue of the NO oxidation system established by Schneider and co-workers [J. Catal. 286, 88 (2012)]. We show that taking into account only first nearest-neighbor interactions may lead to large errors in the prediction of the catalytic rate, whereas for accurate estimates thereof, one needs to include long-range terms in the cluster expansion.« less
Accurate Treatment of Collisions and Water-Delivery in Models of Terrestrial Planet Formation
NASA Astrophysics Data System (ADS)
Haghighipour, Nader; Maindl, Thomas; Schaefer, Christoph
2017-10-01
It is widely accepted that collisions among solid bodies, ignited by their interactions with planetary embryos is the key process in the formation of terrestrial planets and transport of volatiles and chemical compounds to their accretion zones. Unfortunately, due to computational complexities, these collisions are often treated in a rudimentary way. Impacts are considered to be perfectly inelastic and volatiles are considered to be fully transferred from one object to the other. This perfect-merging assumption has profound effects on the mass and composition of final planetary bodies as it grossly overestimates the masses of these objects and the amounts of volatiles and chemical elements transferred to them. It also entirely neglects collisional-loss of volatiles (e.g., water) and draws an unrealistic connection between these properties and the chemical structure of the protoplanetary disk (i.e., the location of their original carriers). We have developed a new and comprehensive methodology to simulate growth of embryos to planetary bodies where we use a combination of SPH and N-body codes to accurately model collisions as well as the transport/transfer of chemical compounds. Our methodology accounts for the loss of volatiles (e.g., ice sublimation) during the orbital evolution of their careers and accurately tracks their transfer from one body to another. Results of our simulations show that traditional N-body modeling of terrestrial planet formation overestimates the amount of the mass and water contents of the final planets by over 60% implying that not only the amount of water they suggest is far from being realistic, small planets such as Mars can also form in these simulations when collisions are treated properly. We will present details of our methodology and discuss its implications for terrestrial planet formation and water delivery to Earth.
Estimating wildfire risk on a Mojave Desert landscape using remote sensing and field sampling
Van Linn, Peter F.; Nussear, Kenneth E.; Esque, Todd C.; DeFalco, Lesley A.; Inman, Richard D.; Abella, Scott R.
2013-01-01
Predicting wildfires that affect broad landscapes is important for allocating suppression resources and guiding land management. Wildfire prediction in the south-western United States is of specific concern because of the increasing prevalence and severe effects of fire on desert shrublands and the current lack of accurate fire prediction tools. We developed a fire risk model to predict fire occurrence in a north-eastern Mojave Desert landscape. First we developed a spatial model using remote sensing data to predict fuel loads based on field estimates of fuels. We then modelled fire risk (interactions of fuel characteristics and environmental conditions conducive to wildfire) using satellite imagery, our model of fuel loads, and spatial data on ignition potential (lightning strikes and distance to roads), topography (elevation and aspect) and climate (maximum and minimum temperatures). The risk model was developed during a fire year at our study landscape and validated at a nearby landscape; model performance was accurate and similar at both sites. This study demonstrates that remote sensing techniques used in combination with field surveys can accurately predict wildfire risk in the Mojave Desert and may be applicable to other arid and semiarid lands where wildfires are prevalent.
Whittleton, Sarah R; Otero-de-la-Roza, A; Johnson, Erin R
2017-02-14
Accurate energy ranking is a key facet to the problem of first-principles crystal-structure prediction (CSP) of molecular crystals. This work presents a systematic assessment of B86bPBE-XDM, a semilocal density functional combined with the exchange-hole dipole moment (XDM) dispersion model, for energy ranking using 14 compounds from the first five CSP blind tests. Specifically, the set of crystals studied comprises 11 rigid, planar compounds and 3 co-crystals. The experimental structure was correctly identified as the lowest in lattice energy for 12 of the 14 total crystals. One of the exceptions is 4-hydroxythiophene-2-carbonitrile, for which the experimental structure was correctly identified once a quasi-harmonic estimate of the vibrational free-energy contribution was included, evidencing the occasional importance of thermal corrections for accurate energy ranking. The other exception is an organic salt, where charge-transfer error (also called delocalization error) is expected to cause the base density functional to be unreliable. Provided the choice of base density functional is appropriate and an estimate of temperature effects is used, XDM-corrected density-functional theory is highly reliable for the energetic ranking of competing crystal structures.
Physically Accurate Soil Freeze-Thaw Processes in a Global Land Surface Scheme
NASA Astrophysics Data System (ADS)
Cuntz, Matthias; Haverd, Vanessa
2018-01-01
The model Soil-Litter-Iso (SLI) calculates coupled heat and water transport in soil. It was recently implemented into the Australian land surface model CABLE, which is the land component of the Australian Community Climate and Earth System Simulator (ACCESS). Here we extended SLI to include accurate freeze-thaw processes in the soil and snow. SLI provides thence an implicit solution of the energy and water balances of soil and snow as a standalone model and within CABLE. The enhanced SLI was tested extensively against theoretical formulations, laboratory experiments, field data, and satellite retrievals. The model performed well for all experiments at wide-ranging temporal and spatial scales. SLI melts snow faster at the end of the cold season compared to observations though because there is no subgrid variability within SLI given by the implicit, coupled solution of energy and water. Combined CABLE-SLI shows very realistic dynamics and extent of permafrost on the Northern hemisphere. It illustrated, however, also the limits of possible comparisons between large-scale land surface models and local permafrost observations. CABLE-SLI exhibits the same patterns of snow depth and snow water equivalent on the Northern hemisphere compared to satellite-derived observations but quantitative comparisons depend largely on the given meteorological input fields. Further extension of CABLE-SLI with depth-dependence of soil carbon will allow realistic projections of the development of permafrost and frozen carbon stocks in a changing climate.
Jeong, Chan-Seok; Kim, Dongsup
2016-02-24
Elucidating the cooperative mechanism of interconnected residues is an important component toward understanding the biological function of a protein. Coevolution analysis has been developed to model the coevolutionary information reflecting structural and functional constraints. Recently, several methods have been developed based on a probabilistic graphical model called the Markov random field (MRF), which have led to significant improvements for coevolution analysis; however, thus far, the performance of these models has mainly been assessed by focusing on the aspect of protein structure. In this study, we built an MRF model whose graphical topology is determined by the residue proximity in the protein structure, and derived a novel positional coevolution estimate utilizing the node weight of the MRF model. This structure-based MRF method was evaluated for three data sets, each of which annotates catalytic site, allosteric site, and comprehensively determined functional site information. We demonstrate that the structure-based MRF architecture can encode the evolutionary information associated with biological function. Furthermore, we show that the node weight can more accurately represent positional coevolution information compared to the edge weight. Lastly, we demonstrate that the structure-based MRF model can be reliably built with only a few aligned sequences in linear time. The results show that adoption of a structure-based architecture could be an acceptable approximation for coevolution modeling with efficient computation complexity.
NASA Astrophysics Data System (ADS)
Liu, Limei; Trakic, Adnan; Sanchez-Lopez, Hector; Liu, Feng; Crozier, Stuart
2014-01-01
MRI-LINAC is a new image-guided radiotherapy treatment system that combines magnetic resonance imaging (MRI) with a linear accelerator (LINAC) in a single unit. One drawback is that the pulsing of the split gradient coils of the system induces an electric field and currents in the patient which need to be predicted and evaluated for patient safety. In this novel numerical study the in situ electric fields and associated current densities were evaluated inside tissue-accurate male and female human voxel models when a number of different split-geometry gradient coils were operated. The body models were located in the MRI-LINAC system along the axial and radial directions in three different body positions. Each model had a region of interest (ROI) suitable for image-guided radiotherapy. The simulation results show that the amplitudes and distributions of the field and current density induced by different split x-gradient coils were similar with one another in the ROI of the body model, but varied outside of the region. The fields and current densities induced by a split classic coil with the surface unconnected showed the largest deviation from those given by the conventional non-split coils. Another finding indicated that the distributions of the peak current densities varied when the body position, orientation or gender changed, while the peak electric fields mainly occurred in the skin and fat tissues.
NASA Astrophysics Data System (ADS)
Hong, Mei; Chen, Xi; Zhang, Ren; Wang, Dong; Shen, Shuanghe; Singh, Vijay P.
2018-04-01
With the objective of tackling the problem of inaccurate long-term El Niño-Southern Oscillation (ENSO) forecasts, this paper develops a new dynamical-statistical forecast model of the sea surface temperature anomaly (SSTA) field. To avoid single initial prediction values, a self-memorization principle is introduced to improve the dynamical reconstruction model, thus making the model more appropriate for describing such chaotic systems as ENSO events. The improved dynamical-statistical model of the SSTA field is used to predict SSTA in the equatorial eastern Pacific and during El Niño and La Niña events. The long-term step-by-step forecast results and cross-validated retroactive hindcast results of time series T1 and T2 are found to be satisfactory, with a Pearson correlation coefficient of approximately 0.80 and a mean absolute percentage error (MAPE) of less than 15 %. The corresponding forecast SSTA field is accurate in that not only is the forecast shape similar to the actual field but also the contour lines are essentially the same. This model can also be used to forecast the ENSO index. The temporal correlation coefficient is 0.8062, and the MAPE value of 19.55 % is small. The difference between forecast results in spring and those in autumn is not high, indicating that the improved model can overcome the spring predictability barrier to some extent. Compared with six mature models published previously, the present model has an advantage in prediction precision and length, and is a novel exploration of the ENSO forecast method.
NASA Astrophysics Data System (ADS)
Wang, Yongzhi; Ma, Yuqing; Zhu, A.-xing; Zhao, Hui; Liao, Lixia
2018-05-01
Facade features represent segmentations of building surfaces and can serve as a building framework. Extracting facade features from three-dimensional (3D) point cloud data (3D PCD) is an efficient method for 3D building modeling. By combining the advantages of 3D PCD and two-dimensional optical images, this study describes the creation of a highly accurate building facade feature extraction method from 3D PCD with a focus on structural information. The new extraction method involves three major steps: image feature extraction, exploration of the mapping method between the image features and 3D PCD, and optimization of the initial 3D PCD facade features considering structural information. Results show that the new method can extract the 3D PCD facade features of buildings more accurately and continuously. The new method is validated using a case study. In addition, the effectiveness of the new method is demonstrated by comparing it with the range image-extraction method and the optical image-extraction method in the absence of structural information. The 3D PCD facade features extracted by the new method can be applied in many fields, such as 3D building modeling and building information modeling.
Magnetic gaps in organic tri-radicals: From a simple model to accurate estimates.
Barone, Vincenzo; Cacelli, Ivo; Ferretti, Alessandro; Prampolini, Giacomo
2017-03-14
The calculation of the energy gap between the magnetic states of organic poly-radicals still represents a challenging playground for quantum chemistry, and high-level techniques are required to obtain accurate estimates. On these grounds, the aim of the present study is twofold. From the one side, it shows that, thanks to recent algorithmic and technical improvements, we are able to compute reliable quantum mechanical results for the systems of current fundamental and technological interest. From the other side, proper parameterization of a simple Hubbard Hamiltonian allows for a sound rationalization of magnetic gaps in terms of basic physical effects, unraveling the role played by electron delocalization, Coulomb repulsion, and effective exchange in tuning the magnetic character of the ground state. As case studies, we have chosen three prototypical organic tri-radicals, namely, 1,3,5-trimethylenebenzene, 1,3,5-tridehydrobenzene, and 1,2,3-tridehydrobenzene, which differ either for geometric or electronic structure. After discussing the differences among the three species and their consequences on the magnetic properties in terms of the simple model mentioned above, accurate and reliable values for the energy gap between the lowest quartet and doublet states are computed by means of the so-called difference dedicated configuration interaction (DDCI) technique, and the final results are discussed and compared to both available experimental and computational estimates.
Anatomically accurate individual face modeling.
Zhang, Yu; Prakash, Edmond C; Sung, Eric
2003-01-01
This paper presents a new 3D face model of a specific person constructed from the anatomical perspective. By exploiting the laser range data, a 3D facial mesh precisely representing the skin geometry is reconstructed. Based on the geometric facial mesh, we develop a deformable multi-layer skin model. It takes into account the nonlinear stress-strain relationship and dynamically simulates the non-homogenous behavior of the real skin. The face model also incorporates a set of anatomically-motivated facial muscle actuators and underlying skull structure. Lagrangian mechanics governs the facial motion dynamics, dictating the dynamic deformation of facial skin in response to the muscle contraction.
NASA Astrophysics Data System (ADS)
Blackman, Jonathan; Field, Scott E.; Galley, Chad R.; Szilágyi, Béla; Scheel, Mark A.; Tiglio, Manuel; Hemberger, Daniel A.
2015-09-01
Simulating a binary black hole coalescence by solving Einstein's equations is computationally expensive, requiring days to months of supercomputing time. Using reduced order modeling techniques, we construct an accurate surrogate model, which is evaluated in a millisecond to a second, for numerical relativity (NR) waveforms from nonspinning binary black hole coalescences with mass ratios in [1, 10] and durations corresponding to about 15 orbits before merger. We assess the model's uncertainty and show that our modeling strategy predicts NR waveforms not used for the surrogate's training with errors nearly as small as the numerical error of the NR code. Our model includes all spherical-harmonic -2Yℓm waveform modes resolved by the NR code up to ℓ=8 . We compare our surrogate model to effective one body waveforms from 50 M⊙ to 300 M⊙ for advanced LIGO detectors and find that the surrogate is always more faithful (by at least an order of magnitude in most cases).
Blackman, Jonathan; Field, Scott E; Galley, Chad R; Szilágyi, Béla; Scheel, Mark A; Tiglio, Manuel; Hemberger, Daniel A
2015-09-18
Simulating a binary black hole coalescence by solving Einstein's equations is computationally expensive, requiring days to months of supercomputing time. Using reduced order modeling techniques, we construct an accurate surrogate model, which is evaluated in a millisecond to a second, for numerical relativity (NR) waveforms from nonspinning binary black hole coalescences with mass ratios in [1, 10] and durations corresponding to about 15 orbits before merger. We assess the model's uncertainty and show that our modeling strategy predicts NR waveforms not used for the surrogate's training with errors nearly as small as the numerical error of the NR code. Our model includes all spherical-harmonic _{-2}Y_{ℓm} waveform modes resolved by the NR code up to ℓ=8. We compare our surrogate model to effective one body waveforms from 50M_{⊙} to 300M_{⊙} for advanced LIGO detectors and find that the surrogate is always more faithful (by at least an order of magnitude in most cases).
Assessment of municipal solid waste settlement models based on field-scale data analysis.
Bareither, Christopher A; Kwak, Seungbok
2015-08-01
An evaluation of municipal solid waste (MSW) settlement model performance and applicability was conducted based on analysis of two field-scale datasets: (1) Yolo and (2) Deer Track Bioreactor Experiment (DTBE). Twelve MSW settlement models were considered that included a range of compression behavior (i.e., immediate compression, mechanical creep, and biocompression) and range of total (2-22) and optimized (2-7) model parameters. A multi-layer immediate settlement analysis developed for Yolo provides a framework to estimate initial waste thickness and waste thickness at the end-of-immediate compression. Model application to the Yolo test cells (conventional and bioreactor landfills) via least squares optimization yielded high coefficient of determinations for all settlement models (R(2)>0.83). However, empirical models (i.e., power creep, logarithmic, and hyperbolic models) are not recommended for use in MSW settlement modeling due to potential non-representative long-term MSW behavior, limited physical significance of model parameters, and required settlement data for model parameterization. Settlement models that combine mechanical creep and biocompression into a single mathematical function constrain time-dependent settlement to a single process with finite magnitude, which limits model applicability. Overall, all models evaluated that couple multiple compression processes (immediate, creep, and biocompression) provided accurate representations of both Yolo and DTBE datasets. A model presented in Gourc et al. (2010) included the lowest number of total and optimized model parameters and yielded high statistical performance for all model applications (R(2)⩾0.97). Copyright © 2015 Elsevier Ltd. All rights reserved.
NASA Astrophysics Data System (ADS)
Montes-Hugo, M.; Bouakba, H.; Arnone, R.
2014-06-01
The understanding of phytoplankton dynamics in the Gulf of the Saint Lawrence (GSL) is critical for managing major fisheries off the Canadian East coast. In this study, the accuracy of two atmospheric correction techniques (NASA standard algorithm, SA, and Kuchinke's spectral optimization, KU) and three ocean color inversion models (Carder's empirical for SeaWiFS (Sea-viewing Wide Field-of-View Sensor), EC, Lee's quasi-analytical, QAA, and Garver- Siegel-Maritorena semi-empirical, GSM) for estimating the phytoplankton absorption coefficient at 443 nm (aph(443)) and the chlorophyll concentration (chl) in the GSL is examined. Each model was validated based on SeaWiFS images and shipboard measurements obtained during May of 2000 and April 2001. In general, aph(443) estimates derived from coupling KU and QAA models presented the smallest differences with respect to in situ determinations as measured by High Pressure liquid Chromatography measurements (median absolute bias per cruise up to 0.005, RMSE up to 0.013). A change on the inversion approach used for estimating aph(443) values produced up to 43.4% increase on prediction error as inferred from the median relative bias per cruise. Likewise, the impact of applying different atmospheric correction schemes was secondary and represented an additive error of up to 24.3%. By using SeaDAS (SeaWiFS Data Analysis System) default values for the optical cross section of phytoplankton (i.e., aph(443) = aph(443)/chl = 0.056 m2mg-1), the median relative bias of our chl estimates as derived from the most accurate spaceborne aph(443) retrievals and with respect to in situ determinations increased up to 29%.
Predicting bias in perceived position using attention field models.
Klein, Barrie P; Paffen, Chris L E; Pas, Susan F Te; Dumoulin, Serge O
2016-05-01
Attention is the mechanism through which we select relevant information from our visual environment. We have recently demonstrated that attention attracts receptive fields across the visual hierarchy (Klein, Harvey, & Dumoulin, 2014). We captured this receptive field attraction using an attention field model. Here, we apply this model to human perception: We predict that receptive field attraction results in a bias in perceived position, which depends on the size of the underlying receptive fields. We instructed participants to compare the relative position of Gabor stimuli, while we manipulated the focus of attention using exogenous cueing. We varied the eccentric position and spatial frequency of the Gabor stimuli to vary underlying receptive field size. The positional biases as a function of eccentricity matched the predictions by an attention field model, whereas the bias as a function of spatial frequency did not. As spatial frequency and eccentricity are encoded differently across the visual hierarchy, we speculate that they might interact differently with the attention field that is spatially defined.
NASA Astrophysics Data System (ADS)
Gao, Kun; Yang, Hu; Chen, Xiaomei; Ni, Guoqiang
2008-03-01
Because of complex thermal objects in an infrared image, the prevalent image edge detection operators are often suitable for a certain scene and extract too wide edges sometimes. From a biological point of view, the image edge detection operators work reliably when assuming a convolution-based receptive field architecture. A DoG (Difference-of- Gaussians) model filter based on ON-center retinal ganglion cell receptive field architecture with artificial eye tremors introduced is proposed for the image contour detection. Aiming at the blurred edges of an infrared image, the subsequent orthogonal polynomial interpolation and sub-pixel level edge detection in rough edge pixel neighborhood is adopted to locate the foregoing rough edges in sub-pixel level. Numerical simulations show that this method can locate the target edge accurately and robustly.
Estimating thermal performance curves from repeated field observations
Childress, Evan; Letcher, Benjamin H.
2017-01-01
Estimating thermal performance of organisms is critical for understanding population distributions and dynamics and predicting responses to climate change. Typically, performance curves are estimated using laboratory studies to isolate temperature effects, but other abiotic and biotic factors influence temperature-performance relationships in nature reducing these models' predictive ability. We present a model for estimating thermal performance curves from repeated field observations that includes environmental and individual variation. We fit the model in a Bayesian framework using MCMC sampling, which allowed for estimation of unobserved latent growth while propagating uncertainty. Fitting the model to simulated data varying in sampling design and parameter values demonstrated that the parameter estimates were accurate, precise, and unbiased. Fitting the model to individual growth data from wild trout revealed high out-of-sample predictive ability relative to laboratory-derived models, which produced more biased predictions for field performance. The field-based estimates of thermal maxima were lower than those based on laboratory studies. Under warming temperature scenarios, field-derived performance models predicted stronger declines in body size than laboratory-derived models, suggesting that laboratory-based models may underestimate climate change effects. The presented model estimates true, realized field performance, avoiding assumptions required for applying laboratory-based models to field performance, which should improve estimates of performance under climate change and advance thermal ecology.
NASA Astrophysics Data System (ADS)
Cary, John R.; Abell, D.; Amundson, J.; Bruhwiler, D. L.; Busby, R.; Carlsson, J. A.; Dimitrov, D. A.; Kashdan, E.; Messmer, P.; Nieter, C.; Smithe, D. N.; Spentzouris, P.; Stoltz, P.; Trines, R. M.; Wang, H.; Werner, G. R.
2006-09-01
As the size and cost of particle accelerators escalate, high-performance computing plays an increasingly important role; optimization through accurate, detailed computermodeling increases performance and reduces costs. But consequently, computer simulations face enormous challenges. Early approximation methods, such as expansions in distance from the design orbit, were unable to supply detailed accurate results, such as in the computation of wake fields in complex cavities. Since the advent of message-passing supercomputers with thousands of processors, earlier approximations are no longer necessary, and it is now possible to compute wake fields, the effects of dampers, and self-consistent dynamics in cavities accurately. In this environment, the focus has shifted towards the development and implementation of algorithms that scale to large numbers of processors. So-called charge-conserving algorithms evolve the electromagnetic fields without the need for any global solves (which are difficult to scale up to many processors). Using cut-cell (or embedded) boundaries, these algorithms can simulate the fields in complex accelerator cavities with curved walls. New implicit algorithms, which are stable for any time-step, conserve charge as well, allowing faster simulation of structures with details small compared to the characteristic wavelength. These algorithmic and computational advances have been implemented in the VORPAL7 Framework, a flexible, object-oriented, massively parallel computational application that allows run-time assembly of algorithms and objects, thus composing an application on the fly.
Effect of external fields in Axelrod's model of social dynamics
NASA Astrophysics Data System (ADS)
Peres, Lucas R.; Fontanari, José F.
2012-09-01
The study of the effects of spatially uniform fields on the steady-state properties of Axelrod's model has yielded plenty of counterintuitive results. Here, we reexamine the impact of this type of field for a selection of parameters such that the field-free steady state of the model is heterogeneous or multicultural. Analyses of both one- and two-dimensional versions of Axelrod's model indicate that the steady state remains heterogeneous regardless of the value of the field strength. Turning on the field leads to a discontinuous decrease on the number of cultural domains, which we argue is due to the instability of zero-field heterogeneous absorbing configurations. We find, however, that spatially nonuniform fields that implement a consensus rule among the neighborhood of the agents enforce homogenization. Although the overall effects of the fields are essentially the same irrespective of the dimensionality of the model, we argue that the dimensionality has a significant impact on the stability of the field-free homogeneous steady state.
Evidence from numerical experiments for a feedback dynamo generating Mercury's magnetic field.
Heyner, Daniel; Wicht, Johannes; Gómez-Pérez, Natalia; Schmitt, Dieter; Auster, Hans-Ulrich; Glassmeier, Karl-Heinz
2011-12-23
The observed weakness of Mercury's magnetic field poses a long-standing puzzle to dynamo theory. Using numerical dynamo simulations, we show that it could be explained by a negative feedback between the magnetospheric and the internal magnetic fields. Without feedback, a small internal field was amplified by the dynamo process up to Earth-like values. With feedback, the field strength saturated at a much lower level, compatible with the observations at Mercury. The classical saturation mechanism via the Lorentz force was replaced by the external field impact. The resulting surface field was dominated by uneven harmonic components. This will allow the feedback model to be distinguished from other models once a more accurate field model is constructed from MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) and BepiColombo data.
Butler, Troy; Wildey, Timothy
2018-01-01
In thist study, we develop a procedure to utilize error estimates for samples of a surrogate model to compute robust upper and lower bounds on estimates of probabilities of events. We show that these error estimates can also be used in an adaptive algorithm to simultaneously reduce the computational cost and increase the accuracy in estimating probabilities of events using computationally expensive high-fidelity models. Specifically, we introduce the notion of reliability of a sample of a surrogate model, and we prove that utilizing the surrogate model for the reliable samples and the high-fidelity model for the unreliable samples gives preciselymore » the same estimate of the probability of the output event as would be obtained by evaluation of the original model for each sample. The adaptive algorithm uses the additional evaluations of the high-fidelity model for the unreliable samples to locally improve the surrogate model near the limit state, which significantly reduces the number of high-fidelity model evaluations as the limit state is resolved. Numerical results based on a recently developed adjoint-based approach for estimating the error in samples of a surrogate are provided to demonstrate (1) the robustness of the bounds on the probability of an event, and (2) that the adaptive enhancement algorithm provides a more accurate estimate of the probability of the QoI event than standard response surface approximation methods at a lower computational cost.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Butler, Troy; Wildey, Timothy
In thist study, we develop a procedure to utilize error estimates for samples of a surrogate model to compute robust upper and lower bounds on estimates of probabilities of events. We show that these error estimates can also be used in an adaptive algorithm to simultaneously reduce the computational cost and increase the accuracy in estimating probabilities of events using computationally expensive high-fidelity models. Specifically, we introduce the notion of reliability of a sample of a surrogate model, and we prove that utilizing the surrogate model for the reliable samples and the high-fidelity model for the unreliable samples gives preciselymore » the same estimate of the probability of the output event as would be obtained by evaluation of the original model for each sample. The adaptive algorithm uses the additional evaluations of the high-fidelity model for the unreliable samples to locally improve the surrogate model near the limit state, which significantly reduces the number of high-fidelity model evaluations as the limit state is resolved. Numerical results based on a recently developed adjoint-based approach for estimating the error in samples of a surrogate are provided to demonstrate (1) the robustness of the bounds on the probability of an event, and (2) that the adaptive enhancement algorithm provides a more accurate estimate of the probability of the QoI event than standard response surface approximation methods at a lower computational cost.« less
A Comprehensive Model of the Near-Earth Magnetic Field. Phase 3
NASA Technical Reports Server (NTRS)
Sabaka, Terence J.; Olsen, Nils; Langel, Robert A.
2000-01-01
The near-Earth magnetic field is due to sources in Earth's core, ionosphere, magnetosphere, lithosphere, and from coupling currents between ionosphere and magnetosphere and between hemispheres. Traditionally, the main field (low degree internal field) and magnetospheric field have been modeled simultaneously, and fields from other sources modeled separately. Such a scheme, however, can introduce spurious features. A new model, designated CMP3 (Comprehensive Model: Phase 3), has been derived from quiet-time Magsat and POGO satellite measurements and observatory hourly and annual means measurements as part of an effort to coestimate fields from all of these sources. This model represents a significant advancement in the treatment of the aforementioned field sources over previous attempts, and includes an accounting for main field influences on the magnetosphere, main field and solar activity influences on the ionosphere, seasonal influences on the coupling currents, a priori characterization of ionospheric and magnetospheric influence on Earth-induced fields, and an explicit parameterization and estimation of the lithospheric field. The result of this effort is a model whose fits to the data are generally superior to previous models and whose parameter states for the various constituent sources are very reasonable.
Field Evaluation of the Pedostructure-Based Model (Kamel®)
USDA-ARS?s Scientific Manuscript database
This study involves a field evaluation of the pedostructure-based model Kamel and comparisons between Kamel and the Hydrus-1D model for predicting profile soil moisture. This paper also presents a sensitivity analysis of Kamel with an evaluation field site used as the base scenario. The field site u...
Evolution of spherical over-densities in tachyon scalar field model
NASA Astrophysics Data System (ADS)
Setare, M. R.; Felegary, F.; Darabi, F.
2017-09-01
We study the tachyon scalar field model in flat FRW cosmology with the particular potential ϕ-2 and the scale factor behavior a (t) =tn. We consider the spherical collapse model and investigate the effects of the tachyon scalar field on the structure formation in flat FRW universe. We calculate δc (zc), λ (zc), ξ (zc), ΔV (zc), log [ νf (ν) ] and log [ n (k) ] for the tachyon scalar field model and compare the results with the results of EdS model and ΛCDM model. It is shown that in the tachyon scalar field model the structure formation may occur earlier, in comparison to the other models.
SU-E-T-247: Multi-Leaf Collimator Model Adjustments Improve Small Field Dosimetry in VMAT Plans
DOE Office of Scientific and Technical Information (OSTI.GOV)
Young, L; Yang, F
2014-06-01
Purpose: The Elekta beam modulator linac employs a 4-mm micro multileaf collimator (MLC) backed by a fixed jaw. Out-of-field dose discrepancies between treatment planning system (TPS) calculations and output water phantom measurements are caused by the 1-mm leaf gap required for all moving MLCs in a VMAT arc. In this study, MLC parameters are optimized to improve TPS out-of-field dose approximations. Methods: Static 2.4 cm square fields were created with a 1-mm leaf gap for MLCs that would normally park behind the jaw. Doses in the open field and leaf gap were measured with an A16 micro ion chamber andmore » EDR2 film for comparison with corresponding point doses in the Pinnacle TPS. The MLC offset table and tip radius were adjusted until TPS point doses agreed with photon measurements. Improvements to the beam models were tested using static arcs consisting of square fields ranging from 1.6 to 14.0 cm, with 45° collimator rotation, and 1-mm leaf gap to replicate VMAT conditions. Gamma values for the 3-mm distance, 3% dose difference criteria were evaluated using standard QA procedures with a cylindrical detector array. Results: The best agreement in point doses within the leaf gap and open field was achieved by offsetting the default rounded leaf end table by 0.1 cm and adjusting the leaf tip radius to 13 cm. Improvements in TPS models for 6 and 10 MV photon beams were more significant for smaller field sizes 3.6 cm or less where the initial gamma factors progressively increased as field size decreased, i.e. for a 1.6cm field size, the Gamma increased from 56.1% to 98.8%. Conclusion: The MLC optimization techniques developed will achieve greater dosimetric accuracy in small field VMAT treatment plans for fixed jaw linear accelerators. Accurate predictions of dose to organs at risk may reduce adverse effects of radiotherapy.« less
Measurement and tricubic interpolation of the magnetic field for the OLYMPUS experiment
NASA Astrophysics Data System (ADS)
Bernauer, J. C.; Diefenbach, J.; Elbakian, G.; Gavrilov, G.; Goerrissen, N.; Hasell, D. K.; Henderson, B. S.; Holler, Y.; Karyan, G.; Ludwig, J.; Marukyan, H.; Naryshkin, Y.; O'Connor, C.; Russell, R. L.; Schmidt, A.; Schneekloth, U.; Suvorov, K.; Veretennikov, D.
2016-07-01
The OLYMPUS experiment used a 0.3 T toroidal magnetic spectrometer to measure the momenta of outgoing charged particles. In order to accurately determine particle trajectories, knowledge of the magnetic field was needed throughout the spectrometer volume. For that purpose, the magnetic field was measured at over 36,000 positions using a three-dimensional Hall probe actuated by a system of translation tables. We used these field data to fit a numerical magnetic field model, which could be employed to calculate the magnetic field at any point in the spectrometer volume. Calculations with this model were computationally intensive; for analysis applications where speed was crucial, we pre-computed the magnetic field and its derivatives on an evenly spaced grid so that the field could be interpolated between grid points. We developed a spline-based interpolation scheme suitable for SIMD implementations, with a memory layout chosen to minimize space and optimize the cache behavior to quickly calculate field values. This scheme requires only one-eighth of the memory needed to store necessary coefficients compared with a previous scheme (Lekien and Marsden, 2005 [1]). This method was accurate for the vast majority of the spectrometer volume, though special fits and representations were needed to improve the accuracy close to the magnet coils and along the toroidal axis.
2015-03-26
Statement It is very difficult to obtain and use spectral BRDFs due to aforementioned reasons, while the need to accurately model the spectral and...Lambertian and MERL nickel-shaped BRDF models (Butler, 2014:1- 3 10), suggesting that accurate BRDFs are required to account for the significance of... BRDF -based radiative transfer models . Research Objectives /Hypotheses The need to represent the spectral reflected radiance of a material using
Accurate and dynamic predictive model for better prediction in medicine and healthcare.
Alanazi, H O; Abdullah, A H; Qureshi, K N; Ismail, A S
2018-05-01
Information and communication technologies (ICTs) have changed the trend into new integrated operations and methods in all fields of life. The health sector has also adopted new technologies to improve the systems and provide better services to customers. Predictive models in health care are also influenced from new technologies to predict the different disease outcomes. However, still, existing predictive models have suffered from some limitations in terms of predictive outcomes performance. In order to improve predictive model performance, this paper proposed a predictive model by classifying the disease predictions into different categories. To achieve this model performance, this paper uses traumatic brain injury (TBI) datasets. TBI is one of the serious diseases worldwide and needs more attention due to its seriousness and serious impacts on human life. The proposed predictive model improves the predictive performance of TBI. The TBI data set is developed and approved by neurologists to set its features. The experiment results show that the proposed model has achieved significant results including accuracy, sensitivity, and specificity.
A Comparison of Classical Force-Fields for Molecular Dynamics Simulations of Lubricants
Ewen, James P.; Gattinoni, Chiara; Thakkar, Foram M.; Morgan, Neal; Spikes, Hugh A.; Dini, Daniele
2016-01-01
For the successful development and application of lubricants, a full understanding of their complex nanoscale behavior under a wide range of external conditions is required, but this is difficult to obtain experimentally. Nonequilibrium molecular dynamics (NEMD) simulations can be used to yield unique insights into the atomic-scale structure and friction of lubricants and additives; however, the accuracy of the results depend on the chosen force-field. In this study, we demonstrate that the use of an accurate, all-atom force-field is critical in order to; (i) accurately predict important properties of long-chain, linear molecules; and (ii) reproduce experimental friction behavior of multi-component tribological systems. In particular, we focus on n-hexadecane, an important model lubricant with a wide range of industrial applications. Moreover, simulating conditions common in tribological systems, i.e., high temperatures and pressures (HTHP), allows the limits of the selected force-fields to be tested. In the first section, a large number of united-atom and all-atom force-fields are benchmarked in terms of their density and viscosity prediction accuracy of n-hexadecane using equilibrium molecular dynamics (EMD) simulations at ambient and HTHP conditions. Whilst united-atom force-fields accurately reproduce experimental density, the viscosity is significantly under-predicted compared to all-atom force-fields and experiments. Moreover, some all-atom force-fields yield elevated melting points, leading to significant overestimation of both the density and viscosity. In the second section, the most accurate united-atom and all-atom force-field are compared in confined NEMD simulations which probe the structure and friction of stearic acid adsorbed on iron oxide and separated by a thin layer of n-hexadecane. The united-atom force-field provides an accurate representation of the structure of the confined stearic acid film; however, friction coefficients are consistently
A Comparison of Classical Force-Fields for Molecular Dynamics Simulations of Lubricants.
Ewen, James P; Gattinoni, Chiara; Thakkar, Foram M; Morgan, Neal; Spikes, Hugh A; Dini, Daniele
2016-08-02
For the successful development and application of lubricants, a full understanding of their complex nanoscale behavior under a wide range of external conditions is required, but this is difficult to obtain experimentally. Nonequilibrium molecular dynamics (NEMD) simulations can be used to yield unique insights into the atomic-scale structure and friction of lubricants and additives; however, the accuracy of the results depend on the chosen force-field. In this study, we demonstrate that the use of an accurate, all-atom force-field is critical in order to; (i) accurately predict important properties of long-chain, linear molecules; and (ii) reproduce experimental friction behavior of multi-component tribological systems. In particular, we focus on n -hexadecane, an important model lubricant with a wide range of industrial applications. Moreover, simulating conditions common in tribological systems, i.e., high temperatures and pressures (HTHP), allows the limits of the selected force-fields to be tested. In the first section, a large number of united-atom and all-atom force-fields are benchmarked in terms of their density and viscosity prediction accuracy of n -hexadecane using equilibrium molecular dynamics (EMD) simulations at ambient and HTHP conditions. Whilst united-atom force-fields accurately reproduce experimental density, the viscosity is significantly under-predicted compared to all-atom force-fields and experiments. Moreover, some all-atom force-fields yield elevated melting points, leading to significant overestimation of both the density and viscosity. In the second section, the most accurate united-atom and all-atom force-field are compared in confined NEMD simulations which probe the structure and friction of stearic acid adsorbed on iron oxide and separated by a thin layer of n -hexadecane. The united-atom force-field provides an accurate representation of the structure of the confined stearic acid film; however, friction coefficients are consistently
Mezei, Pál D; Csonka, Gábor I; Ruzsinszky, Adrienn; Sun, Jianwei
2015-01-13
A correct description of the anion-π interaction is essential for the design of selective anion receptors and channels and important for advances in the field of supramolecular chemistry. However, it is challenging to do accurate, precise, and efficient calculations of this interaction, which are lacking in the literature. In this article, by testing sets of 20 binary anion-π complexes of fluoride, chloride, bromide, nitrate, or carbonate ions with hexafluorobenzene, 1,3,5-trifluorobenzene, 2,4,6-trifluoro-1,3,5-triazine, or 1,3,5-triazine and 30 ternary π-anion-π' sandwich complexes composed from the same monomers, we suggest domain-based local-pair natural orbital coupled cluster energies extrapolated to the complete basis-set limit as reference values. We give a detailed explanation of the origin of anion-π interactions, using the permanent quadrupole moments, static dipole polarizabilities, and electrostatic potential maps. We use symmetry-adapted perturbation theory (SAPT) to calculate the components of the anion-π interaction energies. We examine the performance of the direct random phase approximation (dRPA), the second-order screened exchange (SOSEX), local-pair natural-orbital (LPNO) coupled electron pair approximation (CEPA), and several dispersion-corrected density functionals (including generalized gradient approximation (GGA), meta-GGA, and double hybrid density functional). The LPNO-CEPA/1 results show the best agreement with the reference results. The dRPA method is only slightly less accurate and precise than the LPNO-CEPA/1, but it is considerably more efficient (6-17 times faster) for the binary complexes studied in this paper. For 30 ternary π-anion-π' sandwich complexes, we give dRPA interaction energies as reference values. The double hybrid functionals are much more efficient but less accurate and precise than dRPA. The dispersion-corrected double hybrid PWPB95-D3(BJ) and B2PLYP-D3(BJ) functionals perform better than the GGA and meta
Accurate reconstruction of hyperspectral images from compressive sensing measurements
NASA Astrophysics Data System (ADS)
Greer, John B.; Flake, J. C.
2013-05-01
The emerging field of Compressive Sensing (CS) provides a new way to capture data by shifting the heaviest burden of data collection from the sensor to the computer on the user-end. This new means of sensing requires fewer measurements for a given amount of information than traditional sensors. We investigate the efficacy of CS for capturing HyperSpectral Imagery (HSI) remotely. We also introduce a new family of algorithms for constructing HSI from CS measurements with Split Bregman Iteration [Goldstein and Osher,2009]. These algorithms combine spatial Total Variation (TV) with smoothing in the spectral dimension. We examine models for three different CS sensors: the Coded Aperture Snapshot Spectral Imager-Single Disperser (CASSI-SD) [Wagadarikar et al.,2008] and Dual Disperser (CASSI-DD) [Gehm et al.,2007] cameras, and a hypothetical random sensing model closer to CS theory, but not necessarily implementable with existing technology. We simulate the capture of remotely sensed images by applying the sensor forward models to well-known HSI scenes - an AVIRIS image of Cuprite, Nevada and the HYMAP Urban image. To measure accuracy of the CS models, we compare the scenes constructed with our new algorithm to the original AVIRIS and HYMAP cubes. The results demonstrate the possibility of accurately sensing HSI remotely with significantly fewer measurements than standard hyperspectral cameras.
How Accurately Can We Map SEP Observations Using L*?
NASA Astrophysics Data System (ADS)
Young, S. L.; Kress, B. T.
2016-12-01
In a dipole the cutoff rigidities at a given location are inversely proportional to L2. Smart and Shea, 1967 showed that this was approximately true at low altitudes using the McIlwain L parameter (Lm) in realistic magnetospheric models and provided heuristic evidence that it was also true at high altitudes. Later models developed by Smart and Shea and others (Ogliore et al., 2001, Neal et al., 2013, Selesnick et al., 2015) also use this relationship at low altitudes. Only the Smart and Shea model (Smart and Shea, 2006) uses this relationship to extrapolate to high altitudes, but they introduce a correction that yields a 1 MeV proton vertical cutoff at geosynchronous. Recent work mapped POES observations to the Van Allen Probes locations as a function of L* (Young et al., 2015). The comparison between mapped and observed was reasonably good, but this mapping was along L* and only attempted to account for differences in shielding between high and low latitude. No attempt was made to map across L* so the inverse squared relationship was not tested. These previous results suggest that L* may be useful for mapping flux observations between satellites at high altitudes. In this study we calculate cutoffs and L* shells in a Tsyganenko 2005 + IGRF magnetic field model to examine how accurately L* based mapping can be used in different regions of the magnetosphere.
Three dimensional radiation fields in free electron lasers using Lienard-Wiechert fields
DOE Office of Scientific and Technical Information (OSTI.GOV)
Elias, L.R.; Gallardo, J.
1981-10-28
In a free electron laser a relativistic electron beam is bunched under the action of the ponderomotive potential and is forced to radiate in close phase with the input wave. Until recently, most theories of the FEL have dealt solely with electron beams of infinite transverse dimension radiating only one-dimensional E.M. waves (plane waves). Although these theories describe accurately the dynamics of the electrons during the FEL interaction process, neither the three dimensional nature of the radiated fields nor its non-monochromatic features can be properly studied by them. As a result of this, very important practical issues such as themore » gain per gaussian-spherical optical mode in a free electron laser have not been well addressed, except through a one dimensional field model in which a filling factor describes crudely the coupling of the FEL induced field to the input field.« less
Phase-field modeling of stress-induced instabilities
NASA Astrophysics Data System (ADS)
Kassner, Klaus; Misbah, Chaouqi; Müller, Judith; Kappey, Jens; Kohlert, Peter
2001-03-01
A phase-field approach describing the dynamics of a strained solid in contact with its melt is developed. Using a formulation that is independent of the state of reference chosen for the displacement field, we write down the elastic energy in an unambiguous fashion, thus obtaining an entire class of models. According to the choice of reference state, the particular model emerging from this class will become equivalent to one of the two independently constructed models on which brief accounts have been given recently [J. Müller and M. Grant, Phys. Rev. Lett. 82, 1736 (1999); K. Kassner and C. Misbah, Europhys. Lett. 46, 217 (1999)]. We show that our phase-field approach recovers the sharp-interface limit corresponding to the continuum model equations describing the Asaro-Tiller-Grinfeld instability. Moreover, we use our model to derive hitherto unknown sharp-interface equations for a situation including a field of body forces. The numerical utility of the phase-field approach is demonstrated by reproducing some known results and by comparison with a sharp-interface simulation. We then proceed to investigate the dynamics of extended systems within the phase-field model which contains an inherent lower length cutoff, thus avoiding cusp singularities. It is found that a periodic array of grooves generically evolves into a superstructure which arises from a series of imperfect period doublings. For wave numbers close to the fastest-growing mode of the linear instability, the first period doubling can be obtained analytically. Both the dynamics of an initially periodic array and a random initial structure can be described as a coarsening process with winning grooves temporarily accelerating whereas losing ones decelerate and even reverse their direction of motion. In the absence of gravity, the end state of a laterally finite system is a single groove growing at constant velocity, as long as no secondary instabilities arise (that we have not been able to see with our
NASA Astrophysics Data System (ADS)
Steffen, Julien; Hartke, Bernd
2017-10-01
Building on the recently published quantum-mechanically derived force field (QMDFF) and its empirical valence bond extension, EVB-QMDFF, it is now possible to generate a reliable potential energy surface for any given elementary reaction step in an essentially black box manner. This requires a limited and pre-defined set of reference data near the reaction path and generates an accurate approximation of the reference potential energy surface, on and off the reaction path. This intermediate representation can be used to generate reaction rate data, with far better accuracy and reliability than with traditional approaches based on transition state theory (TST) or variational extensions thereof (VTST), even if those include sophisticated tunneling corrections. However, the additional expense at the reference level remains very modest. We demonstrate all this for three arbitrarily chosen example reactions.
Receptive Field Inference with Localized Priors
Park, Mijung; Pillow, Jonathan W.
2011-01-01
The linear receptive field describes a mapping from sensory stimuli to a one-dimensional variable governing a neuron's spike response. However, traditional receptive field estimators such as the spike-triggered average converge slowly and often require large amounts of data. Bayesian methods seek to overcome this problem by biasing estimates towards solutions that are more likely a priori, typically those with small, smooth, or sparse coefficients. Here we introduce a novel Bayesian receptive field estimator designed to incorporate locality, a powerful form of prior information about receptive field structure. The key to our approach is a hierarchical receptive field model that flexibly adapts to localized structure in both spacetime and spatiotemporal frequency, using an inference method known as empirical Bayes. We refer to our method as automatic locality determination (ALD), and show that it can accurately recover various types of smooth, sparse, and localized receptive fields. We apply ALD to neural data from retinal ganglion cells and V1 simple cells, and find it achieves error rates several times lower than standard estimators. Thus, estimates of comparable accuracy can be achieved with substantially less data. Finally, we introduce a computationally efficient Markov Chain Monte Carlo (MCMC) algorithm for fully Bayesian inference under the ALD prior, yielding accurate Bayesian confidence intervals for small or noisy datasets. PMID:22046110
Govind Rajan, Ananth; Strano, Michael S; Blankschtein, Daniel
2018-04-05
Hexagonal boron nitride (hBN) is an up-and-coming two-dimensional material, with applications in electronic devices, tribology, and separation membranes. Herein, we utilize density-functional-theory-based ab initio molecular dynamics (MD) simulations and lattice dynamics calculations to develop a classical force field (FF) for modeling hBN. The FF predicts the crystal structure, elastic constants, and phonon dispersion relation of hBN with good accuracy and exhibits remarkable agreement with the interlayer binding energy predicted by random phase approximation calculations. We demonstrate the importance of including Coulombic interactions but excluding 1-4 intrasheet interactions to obtain the correct phonon dispersion relation. We find that improper dihedrals do not modify the bulk mechanical properties and the extent of thermal vibrations in hBN, although they impact its flexural rigidity. Combining the FF with the accurate TIP4P/Ice water model yields excellent agreement with interaction energies predicted by quantum Monte Carlo calculations. Our FF should enable an accurate description of hBN interfaces in classical MD simulations.
Modeling magnetic field amplification in nonlinear diffusive shock acceleration
NASA Astrophysics Data System (ADS)
Vladimirov, Andrey
2009-02-01
This research was motivated by the recent observations indicating very strong magnetic fields at some supernova remnant shocks, which suggests in-situ generation of magnetic turbulence. The dissertation presents a numerical model of collisionless shocks with strong amplification of stochastic magnetic fields, self-consistently coupled to efficient shock acceleration of charged particles. Based on a Monte Carlo simulation of particle transport and acceleration in nonlinear shocks, the model describes magnetic field amplification using the state-of-the-art analytic models of instabilities in magnetized plasmas in the presence of non-thermal particle streaming. The results help one understand the complex nonlinear connections between the thermal plasma, the accelerated particles and the stochastic magnetic fields in strong collisionless shocks. Also, predictions regarding the efficiency of particle acceleration and magnetic field amplification, the impact of magnetic field amplification on the maximum energy of accelerated particles, and the compression and heating of the thermal plasma by the shocks are presented. Particle distribution functions and turbulence spectra derived with this model can be used to calculate the emission of observable nonthermal radiation.
Vladescu, Jason C; Carroll, Regina; Paden, Amber; Kodak, Tiffany M
2012-01-01
The present study replicates and extends previous research on the use of video modeling (VM) with voiceover instruction to train staff to implement discrete-trial instruction (DTI). After staff trainees reached the mastery criterion when teaching an adult confederate with VM, they taught a child with a developmental disability using DTI. The results showed that the staff trainees' accurate implementation of DTI remained high, and both child participants acquired new skills. These findings provide additional support that VM may be an effective method to train staff members to conduct DTI. PMID:22844149
Vladescu, Jason C; Carroll, Regina; Paden, Amber; Kodak, Tiffany M
2012-01-01
The present study replicates and extends previous research on the use of video modeling (VM) with voiceover instruction to train staff to implement discrete-trial instruction (DTI). After staff trainees reached the mastery criterion when teaching an adult confederate with VM, they taught a child with a developmental disability using DTI. The results showed that the staff trainees' accurate implementation of DTI remained high, and both child participants acquired new skills. These findings provide additional support that VM may be an effective method to train staff members to conduct DTI.
Plancade, Sandra; Rozenholc, Yves; Lund, Eiliv
2012-12-11
Illumina BeadArray technology includes non specific negative control features that allow a precise estimation of the background noise. As an alternative to the background subtraction proposed in BeadStudio which leads to an important loss of information by generating negative values, a background correction method modeling the observed intensities as the sum of the exponentially distributed signal and normally distributed noise has been developed. Nevertheless, Wang and Ye (2012) display a kernel-based estimator of the signal distribution on Illumina BeadArrays and suggest that a gamma distribution would represent a better modeling of the signal density. Hence, the normal-exponential modeling may not be appropriate for Illumina data and background corrections derived from this model may lead to wrong estimation. We propose a more flexible modeling based on a gamma distributed signal and a normal distributed background noise and develop the associated background correction, implemented in the R-package NormalGamma. Our model proves to be markedly more accurate to model Illumina BeadArrays: on the one hand, it is shown on two types of Illumina BeadChips that this model offers a more correct fit of the observed intensities. On the other hand, the comparison of the operating characteristics of several background correction procedures on spike-in and on normal-gamma simulated data shows high similarities, reinforcing the validation of the normal-gamma modeling. The performance of the background corrections based on the normal-gamma and normal-exponential models are compared on two dilution data sets, through testing procedures which represent various experimental designs. Surprisingly, we observe that the implementation of a more accurate parametrisation in the model-based background correction does not increase the sensitivity. These results may be explained by the operating characteristics of the estimators: the normal-gamma background correction offers an improvement
DOE Office of Scientific and Technical Information (OSTI.GOV)
Samimi, B.; Bagherpour, H.; Nioc, A.
1995-08-01
The geological reservoir study of the supergiant Ahwaz field significantly improved the history matching process in many aspects, particularly the development of a geostatistical model which allowed a sound basis for changes and by delivering much needed accurate estimates of grid block vertical permeabilities. The geostatistical reservoir evaluation was facilitated by using the Heresim package and litho-stratigraphic zonations for the entire field. For each of the geological zones, 3-dimensional electrolithofacies and petrophysical property distributions (realizations) were treated which captured the heterogeneities which significantly affected fluid flow. However, as this level of heterogeneity was at a significantly smaller scale than themore » flow simulation grid blocks, a scaling up effort was needed to derive the effective flow properties of the blocks (porosity, horizontal and vertical permeability, and water saturation). The properties relating to the static reservoir description were accurately derived by using stream tube techniques developed in-house whereas, the relative permeabilities of the grid block were derived by dynamic pseudo relative permeability techniques. The prediction of vertical and lateral communication and water encroachment was facilitated by a close integration of pressure, saturation data, geostatistical modelling and sedimentological studies of the depositional environments and paleocurrents. The nature of reservoir barriers and baffles varied both vertically and laterally in this heterogeneous reservoir. Maps showing differences in pressure between zones after years of production served as a guide to integrating the static geological studies to the dynamic behaviour of each of the 16 reservoir zones. The use of deep wells being drilled to a deeper reservoir provided data to better understand the sweep efficiency and the continuity of barriers and baffles.« less
Hirschmann, J; Schoffelen, J M; Schnitzler, A; van Gerven, M A J
2017-10-01
To investigate the possibility of tremor detection based on deep brain activity. We re-analyzed recordings of local field potentials (LFPs) from the subthalamic nucleus in 10 PD patients (12 body sides) with spontaneously fluctuating rest tremor. Power in several frequency bands was estimated and used as input to Hidden Markov Models (HMMs) which classified short data segments as either tremor-free rest or rest tremor. HMMs were compared to direct threshold application to individual power features. Applying a threshold directly to band-limited power was insufficient for tremor detection (mean area under the curve [AUC] of receiver operating characteristic: 0.64, STD: 0.19). Multi-feature HMMs, in contrast, allowed for accurate detection (mean AUC: 0.82, STD: 0.15), using four power features obtained from a single contact pair. Within-patient training yielded better accuracy than across-patient training (0.84vs. 0.78, p=0.03), yet tremor could often be detected accurately with either approach. High frequency oscillations (>200Hz) were the best performing individual feature. LFP-based markers of tremor are robust enough to allow for accurate tremor detection in short data segments, provided that appropriate statistical models are used. LFP-based markers of tremor could be useful control signals for closed-loop deep brain stimulation. Copyright © 2017 International Federation of Clinical Neurophysiology. Published by Elsevier B.V. All rights reserved.
Congdon, B S; Coutts, B A; Jones, R A C; Renton, M
2017-09-15
An empirical model was developed to forecast Pea seed-borne mosaic virus (PSbMV) incidence at a critical phase of the annual growing season to predict yield loss in field pea crops sown under Mediterranean-type conditions. The model uses pre-growing season rainfall to calculate an index of aphid abundance in early-August which, in combination with PSbMV infection level in seed sown, is used to forecast virus crop incidence. Using predicted PSbMV crop incidence in early-August and day of sowing, PSbMV transmission from harvested seed was also predicted, albeit less accurately. The model was developed so it provides forecasts before sowing to allow sufficient time to implement control recommendations, such as having representative seed samples tested for PSbMV transmission rate to seedlings, obtaining seed with minimal PSbMV infection or of a PSbMV-resistant cultivar, and implementation of cultural management strategies. The model provides a disease forecast risk indication, taking into account predicted percentage yield loss to PSbMV infection and economic factors involved in field pea production. This disease risk forecast delivers location-specific recommendations regarding PSbMV management to end-users. These recommendations will be delivered directly to end-users via SMS alerts with links to web support that provide information on PSbMV management options. This modelling and decision support system approach would likely be suitable for use in other world regions where field pea is grown in similar Mediterranean-type environments. Copyright © 2017 Elsevier B.V. All rights reserved.
Geomagnetic field model for the last 5 My: time-averaged field and secular variation
NASA Astrophysics Data System (ADS)
Hatakeyama, Tadahiro; Kono, Masaru
2002-11-01
Structure of the geomagnetic field has bee studied by using the paleomagetic direction data of the last 5 million years obtained from lava flows. The method we used is the nonlinear version, similar to the works of Gubbins and Kelly [Nature 365 (1993) 829], Johnson and Constable [Geophys. J. Int. 122 (1995) 488; Geophys. J. Int. 131 (1997) 643], and Kelly and Gubbins [Geophys. J. Int. 128 (1997) 315], but we determined the time-averaged field (TAF) and the paleosecular variation (PSV) simultaneously. As pointed out in our previous work [Earth Planet. Space 53 (2001) 31], the observed mean field directions are affected by the fluctuation of the field, as described by the PSV model. This effect is not excessively large, but cannot be neglected while considering the mean field. We propose that the new TAF+PSV model is a better representation of the ancient magnetic field, since both the average and fluctuation of the field are consistently explained. In the inversion procedure, we used direction cosines instead of inclinations and declinations, as the latter quantities show singularity or unstable behavior at the high latitudes. The obtained model gives reasonably good fit to the observed means and variances of direction cosines. In the TAF model, the geocentric axial dipole term ( g10) is the dominant component; it is much more pronounced than that in the present magnetic field. The equatorial dipole component is quite small, after averaging over time. The model shows a very smooth spatial variation; the nondipole components also seem to be averaged out quite effectively over time. Among the other coefficients, the geocentric axial quadrupole term ( g20) is significantly larger than the other components. On the other hand, the axial octupole term ( g30) is much smaller than that in a TAF model excluding the PSV effect. It is likely that the effect of PSV is most clearly seen in this term, which is consistent with the conclusion reached in our previous work. The PSV
Accurate Time-Dependent Traveling-Wave Tube Model Developed for Computational Bit-Error-Rate Testing
NASA Technical Reports Server (NTRS)
Kory, Carol L.
2001-01-01
The phenomenal growth of the satellite communications industry has created a large demand for traveling-wave tubes (TWT's) operating with unprecedented specifications requiring the design and production of many novel devices in record time. To achieve this, the TWT industry heavily relies on computational modeling. However, the TWT industry's computational modeling capabilities need to be improved because there are often discrepancies between measured TWT data and that predicted by conventional two-dimensional helical TWT interaction codes. This limits the analysis and design of novel devices or TWT's with parameters differing from what is conventionally manufactured. In addition, the inaccuracy of current computational tools limits achievable TWT performance because optimized designs require highly accurate models. To address these concerns, a fully three-dimensional, time-dependent, helical TWT interaction model was developed using the electromagnetic particle-in-cell code MAFIA (Solution of MAxwell's equations by the Finite-Integration-Algorithm). The model includes a short section of helical slow-wave circuit with excitation fed by radiofrequency input/output couplers, and an electron beam contained by periodic permanent magnet focusing. A cutaway view of several turns of the three-dimensional helical slow-wave circuit with input/output couplers is shown. This has been shown to be more accurate than conventionally used two-dimensional models. The growth of the communications industry has also imposed a demand for increased data rates for the transmission of large volumes of data. To achieve increased data rates, complex modulation and multiple access techniques are employed requiring minimum distortion of the signal as it is passed through the TWT. Thus, intersymbol interference (ISI) becomes a major consideration, as well as suspected causes such as reflections within the TWT. To experimentally investigate effects of the physical TWT on ISI would be
Critical behavior of the anisotropic Heisenberg model by effective-field renormalization group
NASA Astrophysics Data System (ADS)
de Sousa, J. Ricardo; Fittipaldi, I. P.
1994-05-01
A real-space effective-field renormalization-group method (ERFG) recently derived for computing critical properties of Ising spins is extended to treat the quantum spin-1/2 anisotropic Heisenberg model. The formalism is based on a generalized but approximate Callen-Suzuki spin relation and utilizes a convenient differential operator expansion technique. The method is illustrated in several lattice structures by employing its simplest approximation version in which clusters with one (N'=1) and two (N=2) spins are used. The results are compared with those obtained from the standard mean-field (MFRG) and Migdal-Kadanoff (MKRG) renormalization-group treatments and it is shown that this technique leads to rather accurate results. It is shown that, in contrast with the MFRG and MKRG predictions, the EFRG, besides correctly distinguishing the geometries of different lattice structures, also provides a vanishing critical temperature for all two-dimensional lattices in the isotropic Heisenberg limit. For the simple cubic lattice, the dependence of the transition temperature Tc with the exchange anisotropy parameter Δ [i.e., Tc(Δ)], and the resulting value for the critical thermal crossover exponent φ [i.e., Tc≂Tc(0)+AΔ1/φ ] are in quite good agreement with results available in the literature in which more sophisticated treatments are used.
An improved model for the Earth's gravity field
NASA Technical Reports Server (NTRS)
Tapley, B. D.; Shum, C. K.; Yuan, D. N.; Ries, J. C.; Schutz, B. E.
1989-01-01
An improved model for the Earth's gravity field, TEG-1, was determined using data sets from fourteen satellites, spanning the inclination ranges from 15 to 115 deg, and global surface gravity anomaly data. The satellite measurements include laser ranging data, Doppler range-rate data, and satellite-to-ocean radar altimeter data measurements, which include the direct height measurement and the differenced measurements at ground track crossings (crossover measurements). Also determined was another gravity field model, TEG-1S, which included all the data sets in TEG-1 with the exception of direct altimeter data. The effort has included an intense scrutiny of the gravity field solution methodology. The estimated parameters included geopotential coefficients complete to degree and order 50 with selected higher order coefficients, ocean and solid Earth tide parameters, Doppler tracking station coordinates and the quasi-stationary sea surface topography. Extensive error analysis and calibration of the formal covariance matrix indicate that the gravity field model is a significant improvement over previous models and can be used for general applications in geodesy.
Force Field Model of Periodic Trends in Biomolecular Halogen Bonds
Scholfield, Matthew R.; Ford, Melissa Coates; Vander Zanden, Crystal M.; Billman, M. Marie; Ho, P. Shing; Rappé, Anthony K.
2016-01-01
The study of the noncovalent interaction now defined as a halogen bond (X-bond) has become one of the fastest growing areas in experimental and theoretical chemistry—its applications as a design tool are highly extensive. The significance of the interaction in biology has only recently been recognized, but has now become important in medicinal chemistry. We had previously derived a set of empirical potential energy functions to model the structure-energy relationships for bromines in biomolecular X-bonds (BXBs). Here, we have extended this force field for BXBs (ffBXB) to the halogens (Cl, Br, and I) that are commonly seen to form stable X-bonds. The ffBXB calculated energies show a remarkable one-to-one linear relationship to explicit BXB energies determined from an experimental DNA junction system, thereby validating the approach and the model. The resulting parameters allow us to interpret the stabilizing effects of BXBs in terms of well-defined physical properties of the halogen atoms, including their size, shape, and charge, showing periodic trends that are predictable along the Group VII column of elements. Consequently, we have established the ffBXB as accurate computational tool that can be applied to, for example, for the design of new therapeutic compounds against clinically important targets and new biomolecular based materials. PMID:25338128
Electrostatic potential map modelling with COSY Infinity
NASA Astrophysics Data System (ADS)
Maloney, J. A.; Baartman, R.; Planche, T.; Saminathan, S.
2016-06-01
COSY Infinity (Makino and Berz, 2005) is a differential-algebra based simulation code which allows accurate calculation of transfer maps to arbitrary order. COSY's existing internal procedures were modified to allow electrostatic elements to be specified using an array of field potential data from the midplane. Additionally, a new procedure was created allowing electrostatic elements and their fringe fields to be specified by an analytic function. This allows greater flexibility in accurately modelling electrostatic elements and their fringe fields. Applied examples of these new procedures are presented including the modelling of a shunted electrostatic multipole designed with OPERA, a spherical electrostatic bender, and the effects of different shaped apertures in an electrostatic beam line.
Prediction of far-field wind turbine noise propagation with parabolic equation.
Lee, Seongkyu; Lee, Dongjai; Honhoff, Saskia
2016-08-01
Sound propagation of wind farms is typically simulated by the use of engineering tools that are neglecting some atmospheric conditions and terrain effects. Wind and temperature profiles, however, can affect the propagation of sound and thus the perceived sound in the far field. A better understanding and application of those effects would allow a more optimized farm operation towards meeting noise regulations and optimizing energy yield. This paper presents the parabolic equation (PE) model development for accurate wind turbine noise propagation. The model is validated against analytic solutions for a uniform sound speed profile, benchmark problems for nonuniform sound speed profiles, and field sound test data for real environmental acoustics. It is shown that PE provides good agreement with the measured data, except upwind propagation cases in which turbulence scattering is important. Finally, the PE model uses computational fluid dynamics results as input to accurately predict sound propagation for complex flows such as wake flows. It is demonstrated that wake flows significantly modify the sound propagation characteristics.
A lithospheric magnetic field model derived from the Swarm satellite magnetic field measurements
NASA Astrophysics Data System (ADS)
Hulot, G.; Thebault, E.; Vigneron, P.
2015-12-01
The Swarm constellation of satellites was launched in November 2013 and has since then delivered high quality scalar and vector magnetic field measurements. A consortium of several research institutions was selected by the European Space Agency (ESA) to provide a number of scientific products which will be made available to the scientific community. Within this framework, specific tools were tailor-made to better extract the magnetic signal emanating from Earth's the lithospheric. These tools rely on the scalar gradient measured by the lower pair of Swarm satellites and rely on a regional modeling scheme that is more sensitive to small spatial scales and weak signals than the standard spherical harmonic modeling. In this presentation, we report on various activities related to data analysis and processing. We assess the efficiency of this dedicated chain for modeling the lithospheric magnetic field using more than one year of measurements, and finally discuss refinements that are continuously implemented in order to further improve the robustness and the spatial resolution of the lithospheric field model.
nZVI injection into variably saturated soils: Field and modeling study
NASA Astrophysics Data System (ADS)
Chowdhury, Ahmed I. A.; Krol, Magdalena M.; Kocur, Christopher M.; Boparai, Hardiljeet K.; Weber, Kela P.; Sleep, Brent E.; O'Carroll, Denis M.
2015-12-01
Nano-scale zero valent iron (nZVI) has been used at a number of contaminated sites over the last decade. At most of these sites, significant decreases in contaminant concentrations have resulted from the application of nZVI. However, limited work has been completed investigating nZVI field-scale mobility. In this study, a field test was combined with numerical modeling to examine nZVI reactivity along with transport properties in variably saturated soils. The field test consisted of 142 L of carboxymethyle cellulose (CMC) stabilized monometallic nZVI synthesized onsite and injected into a variably saturated zone. Periodic groundwater samples were collected from the injection well, as well as, from two monitoring wells to analyze for chlorinated solvents and other geochemistry indicators. This study showed that CMC stabilized monometallic nZVI was able to decrease tricholorethene (TCE) concentrations in groundwater by more than 99% from the historical TCE concentrations. A three dimensional, three phase, finite difference numerical simulator, (CompSim) was used to further investigate nZVI and polymer transport at the variably saturated site. The model was able to accurately predict the field observed head data without parameter fitting. In addition, the numerical simulator estimated the mass of nZVI delivered to the saturated and unsaturated zones and distinguished the nZVI phase (i.e. aqueous or attached). The simulation results showed that the injected slurry migrated radially outward from the injection well, and therefore nZVI transport was governed by injection velocity and viscosity of the injected solution. A suite of sensitivity analyses was performed to investigate the impact of different injection scenarios (e.g. different volume and injection rate) on nZVI migration. Simulation results showed that injection of a higher nZVI volume delivered more iron particles at a given distance; however, the travel distance was not proportional to the increase in volume
nZVI injection into variably saturated soils: Field and modeling study.
Chowdhury, Ahmed I A; Krol, Magdalena M; Kocur, Christopher M; Boparai, Hardiljeet K; Weber, Kela P; Sleep, Brent E; O'Carroll, Denis M
2015-12-01
Nano-scale zero valent iron (nZVI) has been used at a number of contaminated sites over the last decade. At most of these sites, significant decreases in contaminant concentrations have resulted from the application of nZVI. However, limited work has been completed investigating nZVI field-scale mobility. In this study, a field test was combined with numerical modeling to examine nZVI reactivity along with transport properties in variably saturated soils. The field test consisted of 142L of carboxymethyle cellulose (CMC) stabilized monometallic nZVI synthesized onsite and injected into a variably saturated zone. Periodic groundwater samples were collected from the injection well, as well as, from two monitoring wells to analyze for chlorinated solvents and other geochemistry indicators. This study showed that CMC stabilized monometallic nZVI was able to decrease tricholorethene (TCE) concentrations in groundwater by more than 99% from the historical TCE concentrations. A three dimensional, three phase, finite difference numerical simulator, (CompSim) was used to further investigate nZVI and polymer transport at the variably saturated site. The model was able to accurately predict the field observed head data without parameter fitting. In addition, the numerical simulator estimated the mass of nZVI delivered to the saturated and unsaturated zones and distinguished the nZVI phase (i.e. aqueous or attached). The simulation results showed that the injected slurry migrated radially outward from the injection well, and therefore nZVI transport was governed by injection velocity and viscosity of the injected solution. A suite of sensitivity analyses was performed to investigate the impact of different injection scenarios (e.g. different volume and injection rate) on nZVI migration. Simulation results showed that injection of a higher nZVI volume delivered more iron particles at a given distance; however, the travel distance was not proportional to the increase in volume
Evaluation of using digital gravity field models for zoning map creation
NASA Astrophysics Data System (ADS)
Loginov, Dmitry
2018-05-01
At the present time the digital cartographic models of geophysical fields are taking a special significance into geo-physical mapping. One of the important directions to their application is the creation of zoning maps, which allow taking into account the morphology of geophysical field in the implementation automated choice of contour intervals. The purpose of this work is the comparative evaluation of various digital models in the creation of integrated gravity field zoning map. For comparison were chosen the digital model of gravity field of Russia, created by the analog map with scale of 1 : 2 500 000, and the open global model of gravity field of the Earth - WGM2012. As a result of experimental works the four integrated gravity field zoning maps were obtained with using raw and processed data on each gravity field model. The study demonstrates the possibility of open data use to create integrated zoning maps with the condition to eliminate noise component of model by processing in specialized software systems. In this case, for solving problem of contour intervals automated choice the open digital models aren't inferior to regional models of gravity field, created for individual countries. This fact allows asserting about universality and independence of integrated zoning maps creation regardless of detail of a digital cartographic model of geo-physical fields.
Development of accurate potentials to explore the structure of water on 2D materials
NASA Astrophysics Data System (ADS)
Bejagam, Karteek; Singh, Samrendra; Deshmukh, Sanket; Deshmkuh Group Team; Samrendra Group Collaboration
Water play an important role in many biological and non-biological process. Thus structure of water at various interfaces and under confinement has always been the topic of immense interest. 2-D materials have shown great potential in surface coating applications and nanofluidic devices. However, the exact atomic level understanding of the wettability of single layer of these 2-D materials is still lacking mainly due to lack of experimental techniques and computational methodologies including accurate force-field potentials and algorithms to measure the contact angle of water. In the present study, we have developed a new algorithm to measure the accurate contact angle between water and 2-D materials. The algorithm is based on fitting the best sphere to the shape of the droplet. This novel spherical fitting method accounts for every individual molecule of the droplet, rather than those at the surface only. We employ this method of contact angle measurements to develop the accurate non-bonded potentials between water and 2-D materials including graphene and boron nitride (BN) to reproduce the experimentally observed contact angle of water on these 2-D materials. Different water models such as SPC, SPC/Fw, and TIP3P were used to study the structure of water at the interfaces.
Field-scale and wellbore modeling of compaction-induced casing failures
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hilbert, L.B. Jr.; Gwinn, R.L.; Moroney, T.A.
1999-06-01
Presented in this paper are the results and verification of field- and wellbore-scale large deformation, elasto-plastic, geomechanical finite element models of reservoir compaction and associated casing damage. The models were developed as part of a multidisciplinary team project to reduce the number of costly well failures in the diatomite reservoir of the South Belridge Field near Bakersfield, California. Reservoir compaction of high porosity diatomite rock induces localized shearing deformations on horizontal weak-rock layers and geologic unconformities. The localized shearing deformations result in casing damage or failure. Two-dimensional, field-scale finite element models were used to develop relationships between field operations, surfacemore » subsidence, and shear-induced casing damage. Pore pressures were computed for eighteen years of simulated production and water injection, using a three-dimensional reservoir simulator. The pore pressures were input to the two-dimensional geomechanical field-scale model. Frictional contact surfaces were used to model localized shear deformations. To capture the complex casing-cement-rock interaction that governs casing damage and failure, three-dimensional models of a wellbore were constructed, including a frictional sliding surface to model localized shear deformation. Calculations were compared to field data for verification of the models.« less
An accurate real-time model of maglev planar motor based on compound Simpson numerical integration
NASA Astrophysics Data System (ADS)
Kou, Baoquan; Xing, Feng; Zhang, Lu; Zhou, Yiheng; Liu, Jiaqi
2017-05-01
To realize the high-speed and precise control of the maglev planar motor, a more accurate real-time electromagnetic model, which considers the influence of the coil corners, is proposed in this paper. Three coordinate systems for the stator, mover and corner coil are established. The coil is divided into two segments, the straight coil segment and the corner coil segment, in order to obtain a complete electromagnetic model. When only take the first harmonic of the flux density distribution of a Halbach magnet array into account, the integration method can be carried out towards the two segments according to Lorenz force law. The force and torque analysis formula of the straight coil segment can be derived directly from Newton-Leibniz formula, however, this is not applicable to the corner coil segment. Therefore, Compound Simpson numerical integration method is proposed in this paper to solve the corner segment. With the validation of simulation and experiment, the proposed model has high accuracy and can realize practical application easily.
Smith, Ray T; Jjunju, Fred P M; Young, Iain S; Taylor, Stephen; Maher, Simon
2016-07-01
A physical model of electromagnetic induction is developed which relates directly the forces between electrons in the transmitter and receiver windings of concentric coaxial finite coils in the near-field region. By applying the principle of superposition, the contributions from accelerating electrons in successive current loops are summed, allowing the peak-induced voltage in the receiver to be accurately predicted. Results show good agreement between theory and experiment for various receivers of different radii up to five times that of the transmitter. The limitations of the linear theory of electromagnetic induction are discussed in terms of the non-uniform current distribution caused by the skin effect. In particular, the explanation in terms of electromagnetic energy and Poynting's theorem is contrasted with a more direct explanation based on variable filament induction across the conductor cross section. As the direct physical model developed herein deals only with forces between discrete current elements, it can be readily adapted to suit different coil geometries and is widely applicable in various fields of research such as near-field communications, antenna design, wireless power transfer, sensor applications and beyond.
Forward modeling of the Earth's lithospheric field using spherical prisms
NASA Astrophysics Data System (ADS)
Baykiev, Eldar; Ebbing, Jörg; Brönner, Marco; Fabian, Karl
2014-05-01
The ESA satellite mission Swarm consists of three satellites that measure the magnetic field of the Earth at average flight heights of about 450 km and 530 km above surface. Realistic forward modeling of the expected data is an indispensible first step for both, evaluation and inversion of the real data set. This forward modeling requires a precise definition of the spherical geometry of the magnetic sources. At satellite height only long wavelengths of the magnetic anomalies are reliably measured. Because these are very sensitive to the modeling error in case of a local flat Earth approximation, conventional magnetic modeling tools cannot be reliably used. For an improved modeling approach, we start from the existing gravity modeling code "tesseroids" (http://leouieda.github.io/tesseroids/), which calculates gravity gradient tensor components for any collection of spherical prisms (tesseroids). By Poisson's relation the magnetic field is mathematically equivalent to the gradient of a gravity field. It is therefore directly possible to apply "tesseroids" for magnetic field modeling. To this end, the Earth crust is covered by spherical prisms, each with its own prescribed magnetic susceptibility and remanent magnetization. Induced magnetizations are then derived from the products of the local geomagnetic fields for the chosen main field model (such as the International Geomagnetic Reference Field), and the corresponding tesseroid susceptibilities. Remanent magnetization vectors are directly set. This method inherits the functionality of the original "tesseroids" code and performs parallel computation of the magnetic field vector components on any given grid. Initial global calculations for a simplified geometry and piecewise constant magnetization for each tesseroid show that the method is self-consistent and reproduces theoretically expected results. Synthetic induced crustal magnetic fields and total field anomalies of the CRUST1.0 model converted to magnetic
Modeling weakly-ionized plasmas in magnetic field: A new computationally-efficient approach
DOE Office of Scientific and Technical Information (OSTI.GOV)
Parent, Bernard, E-mail: parent@pusan.ac.kr; Macheret, Sergey O.; Shneider, Mikhail N.
2015-11-01
Despite its success at simulating accurately both non-neutral and quasi-neutral weakly-ionized plasmas, the drift-diffusion model has been observed to be a particularly stiff set of equations. Recently, it was demonstrated that the stiffness of the system could be relieved by rewriting the equations such that the potential is obtained from Ohm's law rather than Gauss's law while adding some source terms to the ion transport equation to ensure that Gauss's law is satisfied in non-neutral regions. Although the latter was applicable to multicomponent and multidimensional plasmas, it could not be used for plasmas in which the magnetic field was significant.more » This paper hence proposes a new computationally-efficient set of electron and ion transport equations that can be used not only for a plasma with multiple types of positive and negative ions, but also for a plasma in magnetic field. Because the proposed set of equations is obtained from the same physical model as the conventional drift-diffusion equations without introducing new assumptions or simplifications, it results in the same exact solution when the grid is refined sufficiently while being more computationally efficient: not only is the proposed approach considerably less stiff and hence requires fewer iterations to reach convergence but it yields a converged solution that exhibits a significantly higher resolution. The combined faster convergence and higher resolution is shown to result in a hundredfold increase in computational efficiency for some typical steady and unsteady plasma problems including non-neutral cathode and anode sheaths as well as quasi-neutral regions.« less
Development of the lunar gravity field model GrazLGM300b in the framework of project GRAZIL
NASA Astrophysics Data System (ADS)
Krauss, Sandro; Klinger, Beate; Wirnsberger, Harald; Baur, Oliver; Mayer-Gürr, Torsten
2015-04-01
The objective of project GRAZIL is to compile a high-accurate gravity field model of the Moon based on measurements provided by the Gravity Recovery And Interior Laboratory (GRAIL) mission. In order to reach this goal we perform dynamic precise orbit determination from radio science observations (Doppler range-rates) in combination with the analysis of inter-satellite ranging observations. We present an updated version of the lunar gravity field models GrazLGM200a (Klinger et al. 2014; doi: 10.1016/j.pss.2013.12.001) and GrazLGM300a (prepared for the 2014 AGU Fall Meeting) derived from inter-satellite Ka-band ranging (KBR) observations collected by GRAIL during the primary mission phase (March 1 to May 29, 2012). We exploit the KBR data by an integral equation approach using short orbital arcs. The basic idea behind this technique is to reformulate Newton's equation of motion as a boundary value problem. In this contribution particular attention is paid to processing details associated with the error structure of the observations and the incorporation of non-gravitational accelerations (with emphasis on solar radiation pressure, lunar albedo and self-shadowing). We validate our results against recent GRAIL models computed at NASA-GSFC and NASA-JPL.
NASA Technical Reports Server (NTRS)
Roozeboom, Nettie H.; Lee, Henry C.; Simurda, Laura J.; Zilliac, Gregory G.; Pulliam, Thomas H.
2016-01-01
Wing-body juncture flow fields on commercial aircraft configurations are challenging to compute accurately. The NASA Advanced Air Vehicle Program's juncture flow committee is designing an experiment to provide data to improve Computational Fluid Dynamics (CFD) modeling in the juncture flow region. Preliminary design of the model was done using CFD, yet CFD tends to over-predict the separation in the juncture flow region. Risk reduction wind tunnel tests were requisitioned by the committee to obtain a better understanding of the flow characteristics of the designed models. NASA Ames Research Center's Fluid Mechanics Lab performed one of the risk reduction tests. The results of one case, accompanied by CFD simulations, are presented in this paper. Experimental results suggest the wall mounted wind tunnel model produces a thicker boundary layer on the fuselage than the CFD predictions, resulting in a larger wing horseshoe vortex suppressing the side of body separation in the juncture flow region. Compared to experimental results, CFD predicts a thinner boundary layer on the fuselage generates a weaker wing horseshoe vortex resulting in a larger side of body separation.
NASA Astrophysics Data System (ADS)
Lane, R. J. L.
2015-12-01
At Geoscience Australia, we are upgrading our gravity and magnetic modeling tools to provide new insights into the composition, properties, and structure of the subsurface. The scale of the investigations varies from the size of tectonic plates to the size of a mineral prospect. To accurately model potential field data at all of these scales, we require modeling software that can operate in both spherical and Cartesian coordinate frameworks. The models are in the form of a mesh, with spherical prismatic (tesseroid) elements for spherical coordinate models of large volumes, and rectangular prisms for smaller volumes evaluated in a Cartesian coordinate framework. The software can compute the forward response of supplied rock property models and can perform inversions using constraints that vary from weak generic smoothness through to very specific reference models compiled from various types of "hard facts" (i.e., surface mapping, drilling information, crustal seismic interpretations). To operate efficiently, the software is being specifically developed to make use of the resources of the National Computational Infrastructure (NCI) at the Australian National University (ANU). The development of these tools is been carried out in collaboration with researchers from the Colorado School of Mines (CSM) and the China University of Geosciences (CUG) and is at the stage of advanced testing. The creation of individual 3D geological models will provide immediate insights. Users will also be able to combine models, either by stitching them together or by nesting smaller and more detailed models within a larger model. Comparison of the potential field response of a composite model with the observed fields will give users a sense of how comprehensively these models account for the observations. Users will also be able to model the residual fields (i.e., the observed minus calculated response) to discover features that are not represented in the input composite model.
Cyclic Evolution of Coronal Fields from a Coupled Dynamo Potential-Field Source-Surface Model.
Dikpati, Mausumi; Suresh, Akshaya; Burkepile, Joan
The structure of the Sun's corona varies with the solar-cycle phase, from a near spherical symmetry at solar maximum to an axial dipole at solar minimum. It is widely accepted that the large-scale coronal structure is governed by magnetic fields that are most likely generated by dynamo action in the solar interior. In order to understand the variation in coronal structure, we couple a potential-field source-surface model with a cyclic dynamo model. In this coupled model, the magnetic field inside the convection zone is governed by the dynamo equation; these dynamo-generated fields are extended from the photosphere to the corona using a potential-field source-surface model. Assuming axisymmetry, we take linear combinations of associated Legendre polynomials that match the more complex coronal structures. Choosing images of the global corona from the Mauna Loa Solar Observatory at each Carrington rotation over half a cycle (1986 - 1991), we compute the coefficients of the associated Legendre polynomials up to degree eight and compare with observations. We show that at minimum the dipole term dominates, but it fades as the cycle progresses; higher-order multipolar terms begin to dominate. The amplitudes of these terms are not exactly the same for the two limbs, indicating that there is a longitude dependence. While both the 1986 and the 1996 minimum coronas were dipolar, the minimum in 2008 was unusual, since there was a substantial departure from a dipole. We investigate the physical cause of this departure by including a North-South asymmetry in the surface source of the magnetic fields in our flux-transport dynamo model, and find that this asymmetry could be one of the reasons for departure from the dipole in the 2008 minimum.
Global magnetic field modelling with archeomagnetic and historical data
NASA Astrophysics Data System (ADS)
Senftleben, Robin; Korte, Monika; Finlay, Chris
2016-04-01
Global geomagnetic field models on different time scales are useful tools to study the field evolution and gain insights into underlying processes in the Earth's outer core. However, historical full vector field data are only available from 1840 on, and millennial scale field models based on archeo- and paleomagnetic data have, in general, rather low temporal and spatial resolution. This study complements the high resolution data of historical sources with archeomagnetic data in order to expand the time range back to 1000 AD and add total magnetic field informations in the times from 1590 AD to 1840 AD. This makes it possible to constrain the axial dipole moment with actual observations unlike the gufm1 model, which does so through linear extrapolation (Jackson et al. 2000). The resulting model is compared against new paleomagnetic data from the island Fogo of Cap Verde. The age of the sampled volcanic flows spans between 1600 AD and 1900 AD. The final objective of this study is to use this model to uncover details of the decaying behaviour of the dipole moment and the development of the South Atlantic Anomaly.
Modeling of electric field distribution in tissues during electroporation
2013-01-01
Background Electroporation based therapies and treatments (e.g. electrochemotherapy, gene electrotransfer for gene therapy and DNA vaccination, tissue ablation with irreversible electroporation and transdermal drug delivery) require a precise prediction of the therapy or treatment outcome by a personalized treatment planning procedure. Numerical modeling of local electric field distribution within electroporated tissues has become an important tool in treatment planning procedure in both clinical and experimental settings. Recent studies have reported that the uncertainties in electrical properties (i.e. electric conductivity of the treated tissues and the rate of increase in electric conductivity due to electroporation) predefined in numerical models have large effect on electroporation based therapy and treatment effectiveness. The aim of our study was to investigate whether the increase in electric conductivity of tissues needs to be taken into account when modeling tissue response to the electroporation pulses and how it affects the local electric distribution within electroporated tissues. Methods We built 3D numerical models for single tissue (one type of tissue, e.g. liver) and composite tissue (several types of tissues, e.g. subcutaneous tumor). Our computer simulations were performed by using three different modeling approaches that are based on finite element method: inverse analysis, nonlinear parametric and sequential analysis. We compared linear (i.e. tissue conductivity is constant) model and non-linear (i.e. tissue conductivity is electric field dependent) model. By calculating goodness of fit measure we compared the results of our numerical simulations to the results of in vivo measurements. Results The results of our study show that the nonlinear models (i.e. tissue conductivity is electric field dependent: σ(E)) fit experimental data better than linear models (i.e. tissue conductivity is constant). This was found for both single tissue and
Can we Use Low-Cost 360 Degree Cameras to Create Accurate 3d Models?
NASA Astrophysics Data System (ADS)
Barazzetti, L.; Previtali, M.; Roncoroni, F.
2018-05-01
360 degree cameras capture the whole scene around a photographer in a single shot. Cheap 360 cameras are a new paradigm in photogrammetry. The camera can be pointed to any direction, and the large field of view reduces the number of photographs. This paper aims to show that accurate metric reconstructions can be achieved with affordable sensors (less than 300 euro). The camera used in this work is the Xiaomi Mijia Mi Sphere 360, which has a cost of about 300 USD (January 2018). Experiments demonstrate that millimeter-level accuracy can be obtained during the image orientation and surface reconstruction steps, in which the solution from 360° images was compared to check points measured with a total station and laser scanning point clouds. The paper will summarize some practical rules for image acquisition as well as the importance of ground control points to remove possible deformations of the network during bundle adjustment, especially for long sequences with unfavorable geometry. The generation of orthophotos from images having a 360° field of view (that captures the entire scene around the camera) is discussed. Finally, the paper illustrates some case studies where the use of a 360° camera could be a better choice than a project based on central perspective cameras. Basically, 360° cameras become very useful in the survey of long and narrow spaces, as well as interior areas like small rooms.