Berger, Perrine; Alouini, Mehdi; Bourderionnet, Jérôme; Bretenaker, Fabien; Dolfi, Daniel
2010-01-18
We developed an improved model in order to predict the RF behavior and the slow light properties of the SOA valid for any experimental conditions. It takes into account the dynamic saturation of the SOA, which can be fully characterized by a simple measurement, and only relies on material fitting parameters, independent of the optical intensity and the injected current. The present model is validated by showing a good agreement with experiments for small and large modulation indices.
Accurate numerical simulation of short fiber optical parametric amplifiers.
Marhic, M E; Rieznik, A A; Kalogerakis, G; Braimiotis, C; Fragnito, H L; Kazovsky, L G
2008-03-17
We improve the accuracy of numerical simulations for short fiber optical parametric amplifiers (OPAs). Instead of using the usual coarse-step method, we adopt a model for birefringence and dispersion which uses fine-step variations of the parameters. We also improve the split-step Fourier method by exactly treating the nonlinear ellipse rotation terms. We find that results obtained this way for two-pump OPAs can be significantly different from those obtained by using the usual coarse-step fiber model, and/or neglecting ellipse rotation terms.
Accurate size comparison of short tandem repeat alleles amplified by PCR.
Smith, R N
1995-01-01
A strategy is presented for classifying complex short tandem repeat (STR) alleles by size. Such alleles can differ in length by only 1 bp. The HUMACTBP2 locus was used as a model. Dye-labeled, PCR-amplified alleles were analyzed on an automated DNA sequencer with laser-induced fluorescence detection and fragment-sizing software. Between-gel allele sizes calculated against an in-lane allelic ladder or viral DNA size standard were too imprecise to distinguish a 1-bp difference. However, the size difference between a sample allele and its matching ladder allele provided a reliable criterion for size classification. The mean size difference +/- 3 SDs was 0.5 bp, and so an individual result within this interval signified a match. Statistically, 99.7% of the results should lie within +/- 3 SDs with virtually no chance of encountering the 9-SD difference from the mean necessary to misclassify an allele by 1 bp. The method was valid for sample alleles sized against the allelic ladder and for both sample and ladder alleles sized against the viral DNA standard. A correction for the effect of different dye labels on mobility was included in the calculations.
Yang, Zining; Wang, Hongyan; Lu, Qisheng; Hua, Weihong; Xu, Xiaojun
2011-11-07
Diode pumped alkali vapor amplifier (DPAA) is a potential candidate in high power laser field. In this paper, we set up a model for the diode double-side-pumped alkali vapor amplifier. For the three-dimensional volumetric gain medium, both the longitudinal and transverse amplified spontaneous emission (ASE) effects are considered and coupled into the rate equations. An iterative numerical approach is proposed to solve the model. Some important influencing factors are simulated and discussed. The results show that in the case of saturated amplification, the ASE effect can be well suppressed rather than a limitation in power scaling of a DPAA.
Accurate mask model for advanced nodes
NASA Astrophysics Data System (ADS)
Zine El Abidine, Nacer; Sundermann, Frank; Yesilada, Emek; Ndiaye, El Hadji Omar; Mishra, Kushlendra; Paninjath, Sankaranarayanan; Bork, Ingo; Buck, Peter; Toublan, Olivier; Schanen, Isabelle
2014-07-01
Standard OPC models consist of a physical optical model and an empirical resist model. The resist model compensates the optical model imprecision on top of modeling resist development. The optical model imprecision may result from mask topography effects and real mask information including mask ebeam writing and mask process contributions. For advanced technology nodes, significant progress has been made to model mask topography to improve optical model accuracy. However, mask information is difficult to decorrelate from standard OPC model. Our goal is to establish an accurate mask model through a dedicated calibration exercise. In this paper, we present a flow to calibrate an accurate mask enabling its implementation. The study covers the different effects that should be embedded in the mask model as well as the experiment required to model them.
Modeling a Common-Source Amplifier Using a Ferroelectric Transistor
NASA Technical Reports Server (NTRS)
Sayyah, Rana; Hunt, Mitchell; MacLeond, Todd C.; Ho, Fat D.
2010-01-01
This paper presents a mathematical model characterizing the behavior of a common-source amplifier using a FeFET. The model is based on empirical data and incorporates several variables that affect the output, including frequency, load resistance, and gate-to-source voltage. Since the common-source amplifier is the most widely used amplifier in MOS technology, understanding and modeling the behavior of the FeFET-based common-source amplifier will help in the integration of FeFETs into many circuits.
Rhombic micro-displacement amplifier for piezoelectric actuator and its linear and hybrid model
NASA Astrophysics Data System (ADS)
Chen, Jinglong; Zhang, Chunlin; Xu, Minglong; Zi, Yanyang; Zhang, Xinong
2015-01-01
This paper proposes rhombic micro-displacement amplifier (RMDA) for piezoelectric actuator (PA). First, the geometric amplification relations are analyzed and linear model is built to analyze the mechanical and electrical properties of this amplifier. Next, the accurate modeling method of amplifier is studied for important application of precise servo control. The classical Preisach model (CPM) is generally implemented using a numerical technique based on the first-order reversal curves (FORCs). The accuracy of CPM mainly depends on the number of FORCs. However, it is generally difficult to achieve enough number of FORCs in practice. So, Support Vector Machine (SVM) is employed in the work to circumvent the deficiency of the CPM. Then the hybrid model, which is based on discrete CPM and SVM is developed to account for hysteresis and dynamic effects. Finally, experimental validation is carried out. The analyzed result shows that this amplifier with the hybrid model is suitable for control application.
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…
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…
New model accurately predicts reformate composition
Ancheyta-Juarez, J.; Aguilar-Rodriguez, E. )
1994-01-31
Although naphtha reforming is a well-known process, the evolution of catalyst formulation, as well as new trends in gasoline specifications, have led to rapid evolution of the process, including: reactor design, regeneration mode, and operating conditions. Mathematical modeling of the reforming process is an increasingly important tool. It is fundamental to the proper design of new reactors and revamp of existing ones. Modeling can be used to optimize operating conditions, analyze the effects of process variables, and enhance unit performance. Instituto Mexicano del Petroleo has developed a model of the catalytic reforming process that accurately predicts reformate composition at the higher-severity conditions at which new reformers are being designed. The new AA model is more accurate than previous proposals because it takes into account the effects of temperature and pressure on the rate constants of each chemical reaction.
Climate Models have Accurately Predicted Global Warming
NASA Astrophysics Data System (ADS)
Nuccitelli, D. A.
2016-12-01
Climate model projections of global temperature changes over the past five decades have proven remarkably accurate, and yet the myth that climate models are inaccurate or unreliable has formed the basis of many arguments denying anthropogenic global warming and the risks it poses to the climate system. Here we compare average global temperature predictions made by both mainstream climate scientists using climate models, and by contrarians using less physically-based methods. We also explore the basis of the myth by examining specific arguments against climate model accuracy and their common characteristics of science denial.
Wave optics modelling of amplified spontaneous emission
Ritchie, B.; Garrison, J.
1990-11-06
A laser works by amplified spontaneous emission (ASE) of inverted atomic ions confined in an amplifier of rod-like geometry, such that ASE radiation is directed out of both ends of the rod. The forward and backward ASE waves are coupled through the population-rate equations and cause the saturation of the lasing transition (gain saturation). Diffraction of the waves in the transverse direction is responsible for the radiation pattern (angular distribution) observed on a distant screen and for the degree of spatial coherence of the radiation. Refraction of the light also occurs due to spatial gradients in the electron density. In order to describe this situation a code has been developed which numerically solves paraxial Maxwell's equations in the time and two spatial dimensions. The code uses the Peaceman-Rachford Alternating-Direction-Implicit algorithm and is benchmarked against laboratory DYE-LASER experiments. 4 refs., 1 fig.
An Accurate, Simplified Model Intrabeam Scattering
Bane, Karl LF
2002-05-23
Beginning with the general Bjorken-Mtingwa solution for intrabeam scattering (IBS) we derive an accurate, greatly simplified model of IBS, valid for high energy beams in normal storage ring lattices. In addition, we show that, under the same conditions, a modified version of Piwinski's IBS formulation (where {eta}{sub x,y}{sup 2}/{beta}{sub x,y} has been replaced by {Eta}{sub x,y}) asymptotically approaches the result of Bjorken-Mtingwa.
Accurate estimation of the RMS emittance from single current amplifier data
Stockli, Martin P.; Welton, R.F.; Keller, R.; Letchford, A.P.; Thomae, R.W.; Thomason, J.W.G.
2002-05-31
This paper presents the SCUBEEx rms emittance analysis, a self-consistent, unbiased elliptical exclusion method, which combines traditional data-reduction methods with statistical methods to obtain accurate estimates for the rms emittance. Rather than considering individual data, the method tracks the average current density outside a well-selected, variable boundary to separate the measured beam halo from the background. The average outside current density is assumed to be part of a uniform background and not part of the particle beam. Therefore the average outside current is subtracted from the data before evaluating the rms emittance within the boundary. As the boundary area is increased, the average outside current and the inside rms emittance form plateaus when all data containing part of the particle beam are inside the boundary. These plateaus mark the smallest acceptable exclusion boundary and provide unbiased estimates for the average background and the rms emittance. Small, trendless variations within the plateaus allow for determining the uncertainties of the estimates caused by variations of the measured background outside the smallest acceptable exclusion boundary. The robustness of the method is established with complementary variations of the exclusion boundary. This paper presents a detailed comparison between traditional data reduction methods and SCUBEEx by analyzing two complementary sets of emittance data obtained with a Lawrence Berkeley National Laboratory and an ISIS H{sup -} ion source.
Accurate Estimation of the RMS Emittance from Single Current Amplifier Data
NASA Astrophysics Data System (ADS)
Stockli, Martin P.; Welton, R. F.; Keller, R.; Letchford, A. P.; Thomae, R. W.; Thomason, J. W. G.
2002-11-01
This paper presents the SCUBEEx rms emittance analysis, a self-consistent, unbiased elliptical exclusion method, which combines traditional data-reduction methods with statistical methods to obtain accurate estimates for the rms emittance. Rather than considering individual data, the method tracks the average current density outside a well-selected, variable boundary to separate the measured beam halo from the background. The average outside current density is assumed to be part of a uniform background and not part of the particle beam. Therefore the average outside current is subtracted from the data before evaluating the rms emittance within the boundary. As the boundary area is increased, the average outside current and the inside rms emittance form plateaus when all data containing part of the particle beam are inside the boundary. These plateaus mark the smallest acceptable exclusion boundary and provide unbiased estimates for the average background and the rms emittance. Small, trendless variations within the plateaus allow for determining the uncertainties of the estimates caused by variations of the measured background outside the smallest acceptable exclusion boundary. The robustness of the method is established with complementary variations of the exclusion boundary. This paper presents a detailed comparison between traditional data reduction methods and SCUBEEx by analyzing two complementary sets of emittance data obtained with a Lawrence Berkeley National Laboratory and an ISIS H- ion source.
Accurate finite element modeling of acoustic waves
NASA Astrophysics Data System (ADS)
Idesman, A.; Pham, D.
2014-07-01
In the paper we suggest an accurate finite element approach for the modeling of acoustic waves under a suddenly applied load. We consider the standard linear elements and the linear elements with reduced dispersion for the space discretization as well as the explicit central-difference method for time integration. The analytical study of the numerical dispersion shows that the most accurate results can be obtained with the time increments close to the stability limit. However, even in this case and the use of the linear elements with reduced dispersion, mesh refinement leads to divergent numerical results for acoustic waves under a suddenly applied load. This is explained by large spurious high-frequency oscillations. For the quantification and the suppression of spurious oscillations, we have modified and applied a two-stage time-integration technique that includes the stage of basic computations and the filtering stage. This technique allows accurate convergent results at mesh refinement as well as significantly reduces the numerical anisotropy of solutions. We should mention that the approach suggested is very general and can be equally applied to any loading as well as for any space-discretization technique and any explicit or implicit time-integration method.
Modeling and optimization of magnetostrictive actuator amplified by compliant mechanism
NASA Astrophysics Data System (ADS)
Niu, Muqing; Yang, Bintang; Yang, Yikun; Meng, Guang
2017-09-01
Magnetostrictive actuators are commonly used in precision engineering with the advantages of high resolution and fast response. Their limited strokes are always amplified by compliant mechanisms without wear and backlash. This paper proposes a hybrid model for the actuation system considering the coupling of the actuator and the amplifier. The magnetostrictive model, based on the Jiles-Atherton model, is related to the input stiffness of the amplifier when quantifying the magneto-mechanical effects, including stress-dependent magnetization, stress-dependent magnetostriction and ΔE effect. The compliant mechanism model aims at constructing the flexibility matrix with the amplification ratio and input stiffness related to the spring factor of the load. The deformation and structural stress of the amplifier are also dependent on the output strain of magnetostrictive material. Experiments under both free load and spring load conditions have been done to verify the effectiveness of the hybrid model. The proposed model is suitable for parameter optimization and the performance indicators can be precisely quantified. Optimization based on hybrid model is more preferred than optimizing the actuator and amplifier independently for maximum output displacement. Furthermore, ‘stiffness match principle’ is no longer applicable when considering ΔE effect, and the optimal external stiffness problem can be numerically solved by the hybrid model for maximum output energy of magnetostrictive material.
NASA Astrophysics Data System (ADS)
Sharma, Reena; Raghuwanshi, Sanjeev Kumar
2017-02-01
Line surveillance and management information in erbium-doped fiber amplifiers (EDFAs) can be broadcast by modulating the amplitude of the low-frequency lightwave information signal, the process termed as overmodulation in the literature. This paper presents systematic solutions for the overmodulated pump and information signal transfer functions for EDFA. It includes amplified spontaneous emission (ASE) that has an impact on outcomes in the high-gain system. To the extent of our belief, the methodical model simulated with the current approach leads to a distinct perspective of an outcome in the respective field. The test bed described here is realistic. It specifically represents the overmodulation behavior in an EDFA under the influence of ASE.
Modeling of transient modal instability in fiber amplifiers.
Ward, Benjamin G
2013-05-20
A model of transient modal instability in fiber amplifiers is presented. This model combines an optical beam propagation method that incorporates laser gain through local solution of the rate equations and refractive index perturbations caused by the thermo-optic effect with a time-dependent thermal solver with a quantum defect heating source term. This model predicts modal instability a fiber amplifier operating at 241, 270, and 287 Watts of output power characterized by power coupling to un-seeded modes, the presence of stable and unstable regions within the fiber, and rapid intensity variations along the fiber. The instability becomes more severe as the power is increased.
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.
The superconducting quantum interference device microstrip amplifier: Computer models
Mu''ck, Michael; Clarke, John
2000-12-01
Computer models are presented for a microstrip amplifier based on a dc superconducting quantum interference device (SQUID). In this device, the signal is applied between one end of the spiral input coil and the square washer on which it is deposited. The amplifier exhibits substantial power gain when the signal frequency is such that a half wavelength is approximately equal to the length of the microstrip formed by the coil and the groundplane. The resonant frequency is lowered significantly by the inductance of the square washer transformed into the input coil; this reduction is consistent with predictions of a simple model and with analog simulations. With the washer grounded, the gain of the amplifier peaks at a frequency that is lowered from the unloaded resonant frequency by the damping of the resistance associated with the source. The position and magnitude of the peak are in good agreement with both a lumped circuit model and with a model representing the microstrip as a transmission line. When the counter electrode of the SQUID is grounded and the washer floats, feedback from the output of the SQUID to the input via the capacitance of the microstrip plays a major role and is well described by simulations using the transmission line model. Measurements of the input impedance of the microstrip amplifier show that the return loss can be positive or negative, depending on the sign of the feedback and whether the frequency is above or below the resonant frequency. This behavior is in good accord with simulations.
Improved reduced models for single-pass and reflective semiconductor optical amplifiers
NASA Astrophysics Data System (ADS)
O Duill, S. P.; Barry, L. P.
2015-01-01
We present highly accurate and easy to implement, improved lumped semiconductor optical amplifier (SOA) models for both single-pass and reflective semiconductor optical amplifiers (RSOA). The key feature of the model is the inclusion of the internal losses and we show that a few SOA subdivisions are required to achieve a computational accuracy of <0.12 dB. For the case of RSOAs, we generalize a recently published model to account for the internal losses that are vital to replicate the observed RSOA behavior. The results of the improved reduced RSOA model show large overlap when compared to a full bidirectional travelling wave model for over a 40 dB dynamic range of input powers and a 20 dB dynamic range of reflectivity values. The models would be useful for the rapid system simulation of signals in communication systems, i.e. passive optical networks that employ RSOAs, signal processing using SOAs.
NASA Astrophysics Data System (ADS)
Chen, Xi; Chang, Jun; Wang, Fupeng; Wang, Zongliang; Wei, Wei; Liu, Yuanyuan; Qin, Zengguang
2017-03-01
A portable analog lock-in amplifier capable of accurate phase detection is proposed in this paper. The proposed lock-in amplifier, which uses the dual-channel orthometric signals as the references to build the xy coordinate system, can detect the relative phase between the input and x-axis based on trigonometric function. The sensitivity of the phase measurement reaches 0.014 degree, and a detection precision of 0.1 degree is achieved. At the same time, the performance of the lock-in amplifier is verified in the high precision optical oxygen concentration detection. Experimental results reveal that the portable analog lock-in amplifier is accurate for phase detection applications. In the oxygen sensing experiments, 0.058% oxygen concentration resulted in 0.1 degree phase shift detected by the lock-in amplifier precisely. In addition, the lock-in amplifier is small and economical compared with the commercial lock-in equipments, so it can be easily integrated in many portable devices for industrial applications.
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
Polyanskiy, Mikhail N.
2015-01-01
We describe a computer code for simulating the amplification of ultrashort mid-infrared laser pulses in CO2 amplifiers and their propagation through arbitrary optical systems. This code is based on a comprehensive model that includes an accurate consideration of the CO2 active medium and a physical optics propagation algorithm, and takes into account the interaction of the laser pulse with the material of the optical elements. Finally, the application of the code for optimizing an isotopic regenerative amplifier is described.
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.
A quick accurate model of nozzle backflow
NASA Technical Reports Server (NTRS)
Kuharski, R. A.
1991-01-01
Backflow from nozzles is a major source of contamination on spacecraft. If the craft contains any exposed high voltages, the neutral density produced by the nozzles in the vicinity of the craft needs to be known in order to assess the possibility of Paschen breakdown or the probability of sheath ionization around a region of the craft that collects electrons for the plasma. A model for backflow has been developed for incorporation into the Environment-Power System Analysis Tool (EPSAT) which quickly estimates both the magnitude of the backflow and the species makeup of the flow. By combining the backflow model with the Simons (1972) model for continuum flow it is possible to quickly estimate the density of each species from a nozzle at any position in space. The model requires only a few physical parameters of the nozzle and the gas as inputs and is therefore ideal for engineering applications.
Accurate spectral modeling for infrared radiation
NASA Technical Reports Server (NTRS)
Tiwari, S. N.; Gupta, S. K.
1977-01-01
Direct line-by-line integration and quasi-random band model techniques are employed to calculate the spectral transmittance and total band absorptance of 4.7 micron CO, 4.3 micron CO2, 15 micron CO2, and 5.35 micron NO bands. Results are obtained for different pressures, temperatures, and path lengths. These are compared with available theoretical and experimental investigations. For each gas, extensive tabulations of results are presented for comparative purposes. In almost all cases, line-by-line results are found to be in excellent agreement with the experimental values. The range of validity of other models and correlations are discussed.
Janer, Carlos L; Connelly, Michael J
2010-12-20
Phase modulation schemes are attracting much interest for use in ultra-fast optical communication systems because they are much less affected by fiber nonlinearities than conventional modulation formats. Semiconductor optical amplifiers (SOAs) can be used to amplify and process phase modulated signals. However, existing SOA nonlinear phase noise (NLPN) models are simplistic and, sometimes, inaccurate. It is, therefore, important to correctly model their behavior since NLPN is the main drawback in these applications. In this paper we show that a more accurate model can be used leading to simple nonlinear noise expressions at the SOA output of differential phase shift keying systems. To demonstrate the utility of this model, we have used it to calculate the optical signal to noise ratio penalties introduced by a power booster SOA and the first inline amplifier of a 40 Gb/s NRZ-DQPSK single channel link. The model parameters have been estimated from measurements taken of a commercial SOA.
Amplified energy harvester from footsteps: design, modeling, and experimental analysis
NASA Astrophysics Data System (ADS)
Wang, Ya; Chen, Wusi; Guzman, Plinio; Zuo, Lei
2014-04-01
This paper presents the design, modeling and experimental analysis of an amplified footstep energy harvester. With the unique design of amplified piezoelectric stack harvester the kinetic energy generated by footsteps can be effectively captured and converted into usable DC power that could potentially be used to power many electric devices, such as smart phones, sensors, monitoring cameras, etc. This doormat-like energy harvester can be used in crowded places such as train stations, malls, concerts, airport escalator/elevator/stairs entrances, or anywhere large group of people walk. The harvested energy provides an alternative renewable green power to replace power requirement from grids, which run on highly polluting and global-warming-inducing fossil fuels. In this paper, two modeling approaches are compared to calculate power output. The first method is derived from the single degree of freedom (SDOF) constitutive equations, and then a correction factor is applied onto the resulting electromechanically coupled equations of motion. The second approach is to derive the coupled equations of motion with Hamilton's principle and the constitutive equations, and then formulate it with the finite element method (FEM). Experimental testing results are presented to validate modeling approaches. Simulation results from both approaches agree very well with experimental results where percentage errors are 2.09% for FEM and 4.31% for SDOF.
Chen, Chang Hao; Pun, Sio Hang; Mak, Peng Un; Vai, Mang I; Klug, Achim; Lei, Tim C
2014-01-01
Glass micropipettes are widely used to record neural activity from single neurons or clusters of neurons extracellularly in live animals. However, to date, there has been no comprehensive study of noise in extracellular recordings with glass micropipettes. The purpose of this work was to assess various noise sources that affect extracellular recordings and to create model systems in which novel micropipette neural amplifier designs can be tested. An equivalent circuit of the glass micropipette and the noise model of this circuit, which accurately describe the various noise sources involved in extracellular recordings, have been developed. Measurement schemes using dead brain tissue as well as extracellular recordings from neurons in the inferior colliculus, an auditory brain nucleus of an anesthetized gerbil, were used to characterize noise performance and amplification efficacy of the proposed micropipette neural amplifier. According to our model, the major noise sources which influence the signal to noise ratio are the intrinsic noise of the neural amplifier and the thermal noise from distributed pipette resistance. These two types of noise were calculated and measured and were shown to be the dominating sources of background noise for in vivo experiments.
Chen, Chang Hao; Pun, Sio Hang; Mak, Peng Un; Vai, Mang I; Klug, Achim; Lei, Tim C.
2014-01-01
Glass micropipettes are widely used to record neural activity from single neurons or clusters of neurons extracellularly in live animals. However, to date, there has been no comprehensive study of noise in extracellular recordings with glass micropipettes. The purpose of this work was to assess various noise sources that affect extracellular recordings and to create model systems in which novel micropipette neural amplifier designs can be tested. An equivalent circuit of the glass micropipette and the noise model of this circuit, which accurately describe the various noise sources involved in extracellular recordings, have been developed. Measurement schemes using dead brain tissue as well as extracellular recordings from neurons in the inferior colliculus, an auditory brain nucleus of an anesthetized gerbil, were used to characterize noise performance and amplification efficacy of the proposed micropipette neural amplifier. According to our model, the major noise sources which influence the signal to noise ratio are the intrinsic noise of the neural amplifier and the thermal noise from distributed pipette resistance. These two types of noise were calculated and measured and were shown to be the dominating sources of background noise for in vivo experiments. PMID:25133158
NASA Astrophysics Data System (ADS)
Liu, Yan-Ge; Meng, Hong-Yun; Yuan, Shu-Zhong; Tian, Jian-Guo; Kai, Gui-Yun; Dong, Xiao-Yi
2003-10-01
Gain and noise figure (NF) are the most important two parameters of an erbium-doped fibre amplifier (EDFA) for a multi-channel wavelength division multiplexing (WDM) transmission system. A simple bi-wavelength method for accurate gain and NF spectrum measurement of EDFA for WDM applications is proposed. A saturating input signal, whose power equals to the sum of all the WDM signal power and whose wavelength is determined by the channel numbers, and the wavelength of the WDM input signals saturates the EDFA in a degree as the same as the WDM signals input. Meanwhile, a small power probe signal scans and measures the gain and the NF value at every wavelength of the WDM input signals. Investigative results by numerical simulation show that the gain and the NF spectra measured by this method have good agreement with the real spectra of the WDM signal input in a large total input power range. The maximum errors of the gain and the NF are less than 0.2 dB and 0.16 dB, respectively, for a 50-channel input case. The method is competent for the accurate gain and the NF spectrum measurement of the fibre preamplifier and the line-amplifier for WDM applications and has the advantages of simplicity, convenience and easy implement.
A Mathematical Model of a Simple Amplifier Using a Ferroelectric Transistor
NASA Technical Reports Server (NTRS)
Sayyah, Rana; Hunt, Mitchell; MacLeod, Todd C.; Ho, Fat D.
2009-01-01
This paper presents a mathematical model characterizing the behavior of a simple amplifier using a FeFET. The model is based on empirical data and incorporates several variables that affect the output, including frequency, load resistance, and gate-to-source voltage. Since the amplifier is the basis of many circuit configurations, a mathematical model that describes the behavior of a FeFET-based amplifier will help in the integration of FeFETs into many other circuits.
Modeling of Transient Modal Instability in Fiber Amplifiers
2013-02-26
amumJic,... ’i730173. 14. Dragic, P.O.: Ward, B.G.;, "Accurate Modeling of the Intrinsic Brillouin Linewidth via Finite -Element Analysis ," Photonics ... method is based on a hybrid discretization in cylindrical coordinates that combines a finite - difference discretization in the radial coordinate with a...discontinuous refractive index profiles, such as photonic crystal fibers , as well as enabling variable grid spacing to conserve the total number of
Przybylski, D.; Shelyag, S.; Cally, P. S.
2015-07-01
We present a technique to construct a spectropolarimetrically accurate magnetohydrostatic model of a large-scale solar magnetic field concentration, mimicking a sunspot. Using the constructed model we perform a simulation of acoustic wave propagation, conversion, and absorption in the solar interior and photosphere with the sunspot embedded into it. With the 6173 Å magnetically sensitive photospheric absorption line of neutral iron, we calculate observable quantities such as continuum intensities, Doppler velocities, as well as the full Stokes vector for the simulation at various positions at the solar disk, and analyze the influence of non-locality of radiative transport in the solar photosphere on helioseismic measurements. Bisector shapes were used to perform multi-height observations. The differences in acoustic power at different heights within the line formation region at different positions at the solar disk were simulated and characterized. An increase in acoustic power in the simulated observations of the sunspot umbra away from the solar disk center was confirmed as the slow magnetoacoustic wave.
Modeling and Theoretical Analysis of On-Chip Phase-Sensitive Amplifiers
2016-04-19
SECURITY CLASSIFICATION OF: We performed a theoretical study of phase-sentisitive amplification in semiconductor optical amplifiers (SOAs), so as to...wavelength mixing in semiconductor optical amplifiers (SOAs) based on coupled-mode equations. The proposed model applies to all kinds of SOA...Unlimited UU UU UU UU 19-04-2016 1-Jun-2014 30-Nov-2015 Final Report: Modeling and Theoretical Analysis of On-Chip Phase-Sensitive Amplifiers The
Modeling of a diode four-side pumped cesium vapor laser amplifier with flowing medium
NASA Astrophysics Data System (ADS)
Xia, Chunsheng; Shen, Binglin; Xu, Xingqi; Pan, Bailiang
2017-03-01
A physical model for a flowing four-side pumped alkali vapor laser MOPA system, which considers the saturation effect and amplified spontaneous emission (ASE) and cross-sectional temperature distribution, is established to simulate the output performance of the cesium vapor amplifier. According to the experimental parameters, the simulated result agrees well with the experiment, which demonstrates the validity of this model. Influences of the seed power, the flowing velocity, and the cell length on the amplified power are simulated and analyzed, and a set of optimal operating parameters are obtained. Thus, the model can provide an effective way for designing an efficient side-pumped flowing-gas alkali vapor amplifier.
Investigation of degenerate dual-pump phase sensitive amplifier using multi-wave model.
Xie, Weilin; Fsaifes, Ihsan; Labidi, Tarek; Bretenaker, Fabien
2015-12-14
Operation of a degenerate dual-pump phase sensitive amplifier (PSA) is thoroughly numerically investigated using a multi-wave model, taking into account high-order waves associated with undesired four-wave mixing (FWM) processes. More accurate phase-sensitive signal gain characteristics are obtained compared to the conventional 3-wave model, leading to precise optimization of the pump configuration in a degenerate dual-pump PSA. The signal gain for different pump configurations, as well as the phase sensitivity, is obtained and interpreted by investigating the dominant FWM processes in terms of the corresponding phase matching. Moreover, the relation between dispersion slope and the width of the signal gain curve versus the pump-pump wavelength separation is revealed, permitting the application-oriented arbitrary tailoring of the signal gains by manipulating the dispersion profile and pump wavelength allocation.
Liu, Zhansheng; Violas, Manuel Alberto; Carvalho, Nuno Borges
2013-02-11
In this paper, we propose a wideband dynamic behavioral model for a bulk reflective semiconductor optical amplifier (RSOA) used as a modulator in colorless radio over fiber (RoF) systems using a tapped-delay multilayer perceptron (TDMLP). 64 quadrature amplitude modulation (QAM) signals with 20 Msymbol/s were used to train, validate and test the model. Nonlinear distortion and dynamic effects induced by the RSOA modulator are demonstrated. The parameters of the model such as the number of nodes in the hidden layer and memory depth were optimized to ensure the generality and accuracy. The normalized mean square error (NMSE) is used as a figure of merit. The NMSE was up to -44.33 dB when the number of nodes in the hidden layer and memory depth were set to 20 and 3, respectively. The TDMLP model can accurately approximate to the dynamic characteristics of the RSOA modulator. The dynamic AM-AM and dynamic AM-PM distortions of the RSOA modulator are drawn. The results show that the single hidden layer TDMLP can provide accurate approximation for behaviors of the RSOA modulator.
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.
Traveling-Wave Tube Amplifier Model to Predict High-Order Modulation Intersymbol Interference
NASA Technical Reports Server (NTRS)
Kory, Carol L.; Andro, Monty; Williams, W. D. (Technical Monitor)
2001-01-01
Demands for increased data rates in satellite communications necessitate higher order modulation schemes, larger system bandwidth, and minimum distortion of the modulated signal as it is passed through the traveling wave tube amplifier (TWTA). One type of distortion that the TWTA contributes to is intersymbol interference (ISI), and this becomes particularly disruptive with wide-band, complex modulation schemes. It is suspected that in addition to the dispersion of the TWT, frequency dependent reflections due to mismatches within the TWT are a significant contributor to ISI. To experimentally investigate the effect of these mismatches within the physical TWT on ISI would be prohibitively expensive, as it would require manufacturing numerous amplifiers in addition to the acquisition of the required digital hardware. In an attempt to develop a more accurate model to correlate IS1 with the TWTA and the operational signal, a fully three-dimensional (3D), time-dependent, TWT interaction model has been developed using the electromagnetic particle-in-cell (PIC) code MAFIA (solution of Maxwell's equations by the Finite-Integration-Algorithm). The model includes a user defined slow-wave circuit with a spatially tapered region of loss to implement a sever, and spatially varied geometry (such as helical pitch) to implement a phase velocity taper. The model also includes user defined input/output coupling and an electron beam contained by solenoidal, electrostatic, or periodic permanent magnet (PPM) focusing allowing standard or novel TWTs to be investigated. This model comprehensively takes into account the effects of frequency dependent nonlinear distortions (MAM and AMPM); gain ripple due to frequency dependent reflections at the input/output coupling, severs, and mismatches from dynamic pitch variations; drive induced oscillations; harmonic generation; intermodulation products; and backward waves.
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.
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.
Modeling of a diode four-side symmetrically pumped alkali vapor amplifier.
Shen, Binglin; Pan, Bailiang; Jiao, Jian; Xia, Chunsheng
2015-03-09
Considering the amplified spontaneous emission, the saturation effect and the energy distributions of the incident pump and seed lasers, a physical model is established to describe the kinetic process and the output performance of a four sided diode pumped alkali vapor laser amplifier. According to the experimental parameters of a single-side pumped configuration with a diffuse type hollow cylinder cavity, energy distributions in the cell and influences of several important factors are simulated and analyzed. The model is validated by comparing the simulation result with the experimental data, which shows the model can provide an effective way for designing an efficient diode four-side symmetrically pumped alkali vapor laser amplifier.
Optimisation of cascaded Yb fiber amplifier chains using numerical-modelling.
He, F; Price, J H; Vu, K T; Malinowski, A; Sahu, J K; Richardson, D J
2006-12-25
We show that it is possible to adapt existing software packages developed originally for modeling telecommunication devices and systems to reliably predict and optimize the performance of high-power Ytterbium-doped fiber amplifier and laser systems. The ready availability of a flexible, user-friendly design tool should be of considerable practical interest to scientists and engineers working with this important new laser technology since Ytterbium amplifier and amplifier cascades are often difficult to optimize experimentally due to the three-level nature of the Ytterbium laser transition. As examples of the utility and accuracy of the software, as well as the complexity of the systems and amplifier properties that can be successfully modeled, we present a comparison of experimental and theoretical results for individual core and cladding pumped amplifiers, and also for an ultra-short pulse four-stage amplifier system optimized both to provide a broad gain bandwidth and to minimize nonlinear effects. We also show how high energy 100 ns pulses with complex user definable temporal profiles can be created in a gain-saturated amplifier by suitable pre-shaping of the low-energy input pulses. Furthermore, with appropriate modifications the same software package can be applied to fiber amplifiers based on other rare-earth elements and glass hosts.
More-Accurate Model of Flows in Rocket Injectors
NASA Technical Reports Server (NTRS)
Hosangadi, Ashvin; Chenoweth, James; Brinckman, Kevin; Dash, Sanford
2011-01-01
An improved computational model for simulating flows in liquid-propellant injectors in rocket engines has been developed. Models like this one are needed for predicting fluxes of heat in, and performances of, the engines. An important part of predicting performance is predicting fluctuations of temperature, fluctuations of concentrations of chemical species, and effects of turbulence on diffusion of heat and chemical species. Customarily, diffusion effects are represented by parameters known in the art as the Prandtl and Schmidt numbers. Prior formulations include ad hoc assumptions of constant values of these parameters, but these assumptions and, hence, the formulations, are inaccurate for complex flows. In the improved model, these parameters are neither constant nor specified in advance: instead, they are variables obtained as part of the solution. Consequently, this model represents the effects of turbulence on diffusion of heat and chemical species more accurately than prior formulations do, and may enable more-accurate prediction of mixing and flows of heat in rocket-engine combustion chambers. The model has been implemented within CRUNCH CFD, a proprietary computational fluid dynamics (CFD) computer program, and has been tested within that program. The model could also be implemented within other CFD programs.
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
An accurate temperature correction model for thermocouple hygrometers.
Savage, M J; Cass, A; de Jager, J M
1982-02-01
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 degrees 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 degrees C, if the calibration slopes are corrected for temperature.
Anisotropic Turbulence Modeling for Accurate Rod Bundle Simulations
Baglietto, Emilio
2006-07-01
An improved anisotropic eddy viscosity model has been developed for accurate predictions of the thermal hydraulic performances of nuclear reactor fuel assemblies. The proposed model adopts a non-linear formulation of the stress-strain relationship in order to include the reproduction of the anisotropic phenomena, and in combination with an optimized low-Reynolds-number formulation based on Direct Numerical Simulation (DNS) to produce correct damping of the turbulent viscosity in the near wall region. This work underlines the importance of accurate anisotropic modeling to faithfully reproduce the scale of the turbulence driven secondary flows inside the bundle subchannels, by comparison with various isothermal and heated experimental cases. The very low scale secondary motion is responsible for the increased turbulence transport which produces a noticeable homogenization of the velocity distribution and consequently of the circumferential cladding temperature distribution, which is of main interest in bundle design. Various fully developed bare bundles test cases are shown for different geometrical and flow conditions, where the proposed model shows clearly improved predictions, in close agreement with experimental findings, for regular as well as distorted geometries. Finally the applicability of the model for practical bundle calculations is evaluated through its application in the high-Reynolds form on coarse grids, with excellent results. (author)
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 simplified reaction-diffusion system of chemically amplified resist process modeling for OPC
NASA Astrophysics Data System (ADS)
Fan, Yongfa; Jeongb, Moon-Gyu; Ser, Junghoon; Lee, Sung-Woo; Suh, Chunsuk; Koo, Kyo-Il; Lee, Sooryong; Su, Irene; Zavyalova, Lena; Falch, Brad; Huang, Jason; Schmoeller, Thomas
2010-04-01
As semiconductor manufacturing moves to 32nm and 22nm technology nodes with 193nm water immersion lithography, the demand for more accurate OPC modeling is unprecedented to accommodate the diminishing process margin. Among all the challenges, modeling the process of Chemically Amplified Resist (CAR) is a difficult and critical one to overcome. The difficulty lies in the fact that it is an extremely complex physical and chemical process. Although there are well-studied CAR process models, those are usually developed for TCAD rigorous lithography simulators, making them unsuitable for OPC simulation tasks in view of their full-chip capability at an acceptable turn-around time. In our recent endeavors, a simplified reaction-diffusion model capable of full-chip simulation was investigated for simulating the Post-Exposure-Bake (PEB) step in a CAR process. This model uses aerial image intensity and background base concentration as inputs along with a small number of parameters to account for the diffusion and quenching of acid and base in the resist film. It is appropriate for OPC models with regards to speed, accuracy and experimental tuning. Based on wafer measurement data, the parameters can be regressed to optimize model prediction accuracy. This method has been tested to model numerous CAR processes with wafer measurement data sets. Model residual of 1nm RMS and superior resist edge contour predictions have been observed. Analysis has shown that the so-obtained resist models are separable from the effects of optical system, i.e., the calibrated resist model with one illumination condition can be carried to a process with different illumination conditions. It is shown that the simplified CAR system has great potential of being applicable to full-chip OPC simulation.
Queuing theory accurately models the need for critical care resources.
McManus, Michael L; Long, Michael C; Cooper, Abbot; Litvak, Eugene
2004-05-01
Allocation of scarce resources presents an increasing challenge to hospital administrators and health policy makers. Intensive care units can present bottlenecks within busy hospitals, but their expansion is costly and difficult to gauge. Although mathematical tools have been suggested for determining the proper number of intensive care beds necessary to serve a given demand, the performance of such models has not been prospectively evaluated over significant periods. The authors prospectively collected 2 years' admission, discharge, and turn-away data in a busy, urban intensive care unit. Using queuing theory, they then constructed a mathematical model of patient flow, compared predictions from the model to observed performance of the unit, and explored the sensitivity of the model to changes in unit size. The queuing model proved to be very accurate, with predicted admission turn-away rates correlating highly with those actually observed (correlation coefficient = 0.89). The model was useful in predicting both monthly responsiveness to changing demand (mean monthly difference between observed and predicted values, 0.4+/-2.3%; range, 0-13%) and the overall 2-yr turn-away rate for the unit (21%vs. 22%). Both in practice and in simulation, turn-away rates increased exponentially when utilization exceeded 80-85%. Sensitivity analysis using the model revealed rapid and severe degradation of system performance with even the small changes in bed availability that might result from sudden staffing shortages or admission of patients with very long stays. The stochastic nature of patient flow may falsely lead health planners to underestimate resource needs in busy intensive care units. Although the nature of arrivals for intensive care deserves further study, when demand is random, queuing theory provides an accurate means of determining the appropriate supply of beds.
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.
Mouse models of human AML accurately predict chemotherapy response
Zuber, Johannes; Radtke, Ina; Pardee, Timothy S.; Zhao, Zhen; Rappaport, Amy R.; Luo, Weijun; McCurrach, Mila E.; Yang, Miao-Miao; Dolan, M. Eileen; Kogan, Scott C.; Downing, James R.; Lowe, Scott W.
2009-01-01
The genetic heterogeneity of cancer influences the trajectory of tumor progression and may underlie clinical variation in therapy response. To model such heterogeneity, we produced genetically and pathologically accurate mouse models of common forms of human acute myeloid leukemia (AML) and developed methods to mimic standard induction chemotherapy and efficiently monitor therapy response. We see that murine AMLs harboring two common human AML genotypes show remarkably diverse responses to conventional therapy that mirror clinical experience. Specifically, murine leukemias expressing the AML1/ETO fusion oncoprotein, associated with a favorable prognosis in patients, show a dramatic response to induction chemotherapy owing to robust activation of the p53 tumor suppressor network. Conversely, murine leukemias expressing MLL fusion proteins, associated with a dismal prognosis in patients, are drug-resistant due to an attenuated p53 response. Our studies highlight the importance of genetic information in guiding the treatment of human AML, functionally establish the p53 network as a central determinant of chemotherapy response in AML, and demonstrate that genetically engineered mouse models of human cancer can accurately predict therapy response in patients. PMID:19339691
Mouse models of human AML accurately predict chemotherapy response.
Zuber, Johannes; Radtke, Ina; Pardee, Timothy S; Zhao, Zhen; Rappaport, Amy R; Luo, Weijun; McCurrach, Mila E; Yang, Miao-Miao; Dolan, M Eileen; Kogan, Scott C; Downing, James R; Lowe, Scott W
2009-04-01
The genetic heterogeneity of cancer influences the trajectory of tumor progression and may underlie clinical variation in therapy response. To model such heterogeneity, we produced genetically and pathologically accurate mouse models of common forms of human acute myeloid leukemia (AML) and developed methods to mimic standard induction chemotherapy and efficiently monitor therapy response. We see that murine AMLs harboring two common human AML genotypes show remarkably diverse responses to conventional therapy that mirror clinical experience. Specifically, murine leukemias expressing the AML1/ETO fusion oncoprotein, associated with a favorable prognosis in patients, show a dramatic response to induction chemotherapy owing to robust activation of the p53 tumor suppressor network. Conversely, murine leukemias expressing MLL fusion proteins, associated with a dismal prognosis in patients, are drug-resistant due to an attenuated p53 response. Our studies highlight the importance of genetic information in guiding the treatment of human AML, functionally establish the p53 network as a central determinant of chemotherapy response in AML, and demonstrate that genetically engineered mouse models of human cancer can accurately predict therapy response in patients.
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
Turbulence Models for Accurate Aerothermal Prediction in Hypersonic Flows
NASA Astrophysics Data System (ADS)
Zhang, Xiang-Hong; Wu, Yi-Zao; Wang, Jiang-Feng
Accurate description of the aerodynamic and aerothermal environment is crucial to the integrated design and optimization for high performance hypersonic vehicles. In the simulation of aerothermal environment, the effect of viscosity is crucial. The turbulence modeling remains a major source of uncertainty in the computational prediction of aerodynamic forces and heating. In this paper, three turbulent models were studied: the one-equation eddy viscosity transport model of Spalart-Allmaras, the Wilcox k-ω model and the Menter SST model. For the k-ω model and SST model, the compressibility correction, press dilatation and low Reynolds number correction were considered. The influence of these corrections for flow properties were discussed by comparing with the results without corrections. In this paper the emphasis is on the assessment and evaluation of the turbulence models in prediction of heat transfer as applied to a range of hypersonic flows with comparison to experimental data. This will enable establishing factor of safety for the design of thermal protection systems of hypersonic vehicle.
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.
Chewing simulation with a physically accurate deformable model.
Pascale, Andra Maria; Ruge, Sebastian; Hauth, Steffen; Kordaß, Bernd; Linsen, Lars
2015-01-01
Nowadays, CAD/CAM software is being used to compute the optimal shape and position of a new tooth model meant for a patient. With this possible future application in mind, we present in this article an independent and stand-alone interactive application that simulates the human chewing process and the deformation it produces in the food substrate. Chewing motion sensors are used to produce an accurate representation of the jaw movement. The substrate is represented by a deformable elastic model based on the finite linear elements method, which preserves physical accuracy. Collision detection based on spatial partitioning is used to calculate the forces that are acting on the deformable model. Based on the calculated information, geometry elements are added to the scene to enhance the information available for the user. The goal of the simulation is to present a complete scene to the dentist, highlighting the points where the teeth came into contact with the substrate and giving information about how much force acted at these points, which therefore makes it possible to indicate whether the tooth is being used incorrectly in the mastication process. Real-time interactivity is desired and achieved within limits, depending on the complexity of the employed geometric models. The presented simulation is a first step towards the overall project goal of interactively optimizing tooth position and shape under the investigation of a virtual chewing process using real patient data (Fig 1).
Inverter Modeling For Accurate Energy Predictions Of Tracking HCPV Installations
NASA Astrophysics Data System (ADS)
Bowman, J.; Jensen, S.; McDonald, Mark
2010-10-01
High efficiency high concentration photovoltaic (HCPV) solar plants of megawatt scale are now operational, and opportunities for expanded adoption are plentiful. However, effective bidding for sites requires reliable prediction of energy production. HCPV module nameplate power is rated for specific test conditions; however, instantaneous HCPV power varies due to site specific irradiance and operating temperature, and is degraded by soiling, protective stowing, shading, and electrical connectivity. These factors interact with the selection of equipment typically supplied by third parties, e.g., wire gauge and inverters. We describe a time sequence model accurately accounting for these effects that predicts annual energy production, with specific reference to the impact of the inverter on energy output and interactions between system-level design decisions and the inverter. We will also show two examples, based on an actual field design, of inverter efficiency calculations and the interaction between string arrangements and inverter selection.
Accurate bolus arrival time estimation using piecewise linear model fitting
NASA Astrophysics Data System (ADS)
Abdou, Elhassan; de Mey, Johan; De Ridder, Mark; Vandemeulebroucke, Jef
2017-02-01
Dynamic contrast-enhanced computed tomography (DCE-CT) is an emerging radiological technique, which consists in acquiring a rapid sequence of CT images, shortly after the injection of an intravenous contrast agent. The passage of the contrast agent in a tissue results in a varying CT intensity over time, recorded in time-attenuation curves (TACs), which can be related to the contrast supplied to that tissue via the supplying artery to estimate the local perfusion and permeability characteristics. The time delay between the arrival of the contrast bolus in the feeding artery and the tissue of interest, called the bolus arrival time (BAT), needs to be determined accurately to enable reliable perfusion analysis. Its automated identification is however highly sensitive to noise. We propose an accurate and efficient method for estimating the BAT from DCE-CT images. The method relies on a piecewise linear TAC model with four segments and suitable parameter constraints for limiting the range of possible values. The model is fitted to the acquired TACs in a multiresolution fashion using an iterative optimization approach. The performance of the method was evaluated on simulated and real perfusion data of lung and rectum tumours. In both cases, the method was found to be stable, leading to average accuracies in the order of the temporal resolution of the dynamic sequence. For reasonable levels of noise, the results were found to be comparable to those obtained using a previously proposed method, employing a full search algorithm, but requiring an order of magnitude more computation time.
Towards Accurate Molecular Modeling of Plastic Bonded Explosives
NASA Astrophysics Data System (ADS)
Chantawansri, T. L.; Andzelm, J.; Taylor, D.; Byrd, E.; Rice, B.
2010-03-01
There is substantial interest in identifying the controlling factors that influence the susceptibility of polymer bonded explosives (PBXs) to accidental initiation. Numerous Molecular Dynamics (MD) simulations of PBXs using the COMPASS force field have been reported in recent years, where the validity of the force field in modeling the solid EM fill has been judged solely on its ability to reproduce lattice parameters, which is an insufficient metric. Performance of the COMPASS force field in modeling EMs and the polymeric binder has been assessed by calculating structural, thermal, and mechanical properties, where only fair agreement with experimental data is obtained. We performed MD simulations using the COMPASS force field for the polymer binder hydroxyl-terminated polybutadiene and five EMs: cyclotrimethylenetrinitramine, 1,3,5,7-tetranitro-1,3,5,7-tetra-azacyclo-octane, 2,4,6,8,10,12-hexantirohexaazazisowurzitane, 2,4,6-trinitro-1,3,5-benzenetriamine, and pentaerythritol tetranitate. Predicted EM crystallographic and molecular structural parameters, as well as calculated properties for the binder will be compared with experimental results for different simulation conditions. We also present novel simulation protocols, which improve agreement between experimental and computation results thus leading to the accurate modeling of PBXs.
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.
2013-01-01
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. PMID:23503844
Polyanskiy, Mikhail N.
2015-01-01
We describe a computer code for simulating the amplification of ultrashort mid-infrared laser pulses in CO_{2} amplifiers and their propagation through arbitrary optical systems. This code is based on a comprehensive model that includes an accurate consideration of the CO_{2} active medium and a physical optics propagation algorithm, and takes into account the interaction of the laser pulse with the material of the optical elements. Finally, the application of the code for optimizing an isotopic regenerative amplifier is described.
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
Personalized Orthodontic Accurate Tooth Arrangement System with Complete Teeth Model.
Cheng, Cheng; Cheng, Xiaosheng; Dai, Ning; Liu, Yi; Fan, Qilei; Hou, Yulin; Jiang, Xiaotong
2015-09-01
The accuracy, validity and lack of relation information between dental root and jaw in tooth arrangement are key problems in tooth arrangement technology. This paper aims to describe a newly developed virtual, personalized and accurate tooth arrangement system based on complete information about dental root and skull. Firstly, a feature constraint database of a 3D teeth model is established. Secondly, for computed simulation of tooth movement, the reference planes and lines are defined by the anatomical reference points. The matching mathematical model of teeth pattern and the principle of the specific pose transformation of rigid body are fully utilized. The relation of position between dental root and alveolar bone is considered during the design process. Finally, the relative pose relationships among various teeth are optimized using the object mover, and a personalized therapeutic schedule is formulated. Experimental results show that the virtual tooth arrangement system can arrange abnormal teeth very well and is sufficiently flexible. The relation of position between root and jaw is favorable. This newly developed system is characterized by high-speed processing and quantitative evaluation of the amount of 3D movement of an individual tooth.
Modeling amplified p53 responses under DNA-PK inhibition in DNA damage response
Sun, Tingzhe; Li, Xinda; Shen, Pingping
2017-01-01
During DNA double strand breaks (DSBs) repair, coordinated activation of phosphatidylinositol 3-kinase (PI3K)-like kinases can activate p53 signaling pathway. Recent findings have identified novel interplays among these kinases demonstrating amplified first p53 pulses under DNA-PK inhibition. However, no theoretical model has been developed to characterize such dynamics. In current work, we modeled the prolonged p53 pulses with DNA-PK inhibitor. We could identify a dose-dependent increase in the first pulse amplitude and width. Meanwhile, weakened DNA-PK mediated ATM inhibition was insufficient to reproduce such dynamic behavior. Moreover, the information flow was shifted predominantly to the first pulse under DNA-PK inhibition. Furthermore, the amplified p53 responses were relatively robust. Taken together, our model can faithfully replicate amplified p53 responses under DNA-PK inhibition and provide insights into cell fate decision by manipulating p53 dynamics. PMID:28177883
Time-domain model of quantum-dot semiconductor optical amplifiers for wideband optical signals.
Puris, D; Schmidt-Langhorst, C; Lüdge, K; Majer, N; Schöll, E; Petermann, K
2012-11-19
We present a novel theoretical time-domain model for a quantum dot semiconductor optical amplifier, that allows to simulate subpicosecond pulse propagation including power-based and phase-based effects. Static results including amplified spontaneous emission spectra, continuous wave amplification, and four-wave mixing experiments in addition to dynamic pump-probe simulations are presented for different injection currents. The model uses digital filters to describe the frequency dependent gain and microscopically calculated carrier-carrier scattering rates for the interband carrier dynamics. It can be used to calculate the propagation of multiple signals with different wavelengths or one wideband signal with high bitrate.
Augmented twin-nonlinear two-box behavioral models for multicarrier LTE power amplifiers.
Hammi, Oualid
2014-01-01
A novel class of behavioral models is proposed for LTE-driven Doherty power amplifiers with strong memory effects. The proposed models, labeled augmented twin-nonlinear two-box models, are built by cascading a highly nonlinear memoryless function with a mildly nonlinear memory polynomial with cross terms. Experimental validation on gallium nitride based Doherty power amplifiers illustrates the accuracy enhancement and complexity reduction achieved by the proposed models. When strong memory effects are observed, the augmented twin-nonlinear two-box models can improve the normalized mean square error by up to 3 dB for the same number of coefficients when compared to state-of-the-art twin-nonlinear two-box models. Furthermore, the augmented twin-nonlinear two-box models lead to the same performance as previously reported twin-nonlinear two-box models while requiring up to 80% less coefficients.
Modeling acid transport in chemically amplified resist films
NASA Astrophysics Data System (ADS)
Patil, Abhijit A.; Doxastakis, Manolis; Stein, Gila E.
2014-03-01
The acid-catalyzed deprotection of glassy poly(4-hydroxystyrene-co-tert butyl acrylate) films was studied with infrared absorbance spectroscopy and stochastic simulations. Experimental data were interpreted with a simple description of subdiffusive acid transport coupled to second-order acid loss. This model predicts key attributes of observed deprotection rates, such as fast reaction at short times, slow reaction at long times, and a non-linear dependence on acid loading. The degree of anomalous character is reduced by increasing the post-exposure bake temperature or adding plasticizing agents to the polymer resin. These findings indicate that the acid mobility and overall deprotection kinetics are coupled to glassy matrix dynamics. Furthermore, the acid diffusion lengths were calculated from the anomalous transport model and compared with nanopattern line widths. The consistent scaling between experiments and simulations suggests that the anomalous diffusion model could be further developed into a predictive lithography tool.
A generalized Jaynes-Cummings model: The relativistic parametric amplifier and a single trapped ion
Ojeda-Guillén, D.; Mota, R. D.; Granados, V. D.
2016-06-15
We introduce a generalization of the Jaynes-Cummings model and study some of its properties. We obtain the energy spectrum and eigenfunctions of this model by using the tilting transformation and the squeezed number states of the one-dimensional harmonic oscillator. As physical applications, we connect this new model to two important and novelty problems: the relativistic parametric amplifier and the quantum simulation of a single trapped ion.
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.
Modeling Signal and ASE Evolution in Erbium-Doped Amplifiers With the Method of Lines
NASA Astrophysics Data System (ADS)
Laliotis, Athanasios; Yeatman, Eric M.; Al-Bader, Samir J.
2006-03-01
A complete theoretical treatment for modeling erbium-doped waveguide amplifiers (EDWAs) by the method of lines (MoL) numerical scheme is presented. Though a similar approach has previously been applied to the treatment of bent amplifiers, the present procedure is generalized by the inclusion of amplified spontaneous emission (ASE) and bidirectional pumping, which were not included in previous treatments. An iterative scheme is described and its convergence verified. The scheme accounts for the coupling that arises between all the otherwise independent length increments when bidirectional propagation of either pumping or ASE occurs. Since the method uses the electric field rather than the intensity profile, a new treatment of the ASE based on randomizing the phase of the field by the application of a Brownian random process is accordingly developed. Additional information on the ASE power coupled to the whole set of amplifier modes and on the spatial dependence of the noise is obtained. This allows for more effective analysis of the noise figure of devices such as mode evolution couplers, for which mode interference is of primary importance. The theoretical results are compared with experiments, and with results obtained by previous methods applied to similar problems.
Modeling and optimization of tapered-diode pumped Cr:LiCAF regenerative amplifiers
NASA Astrophysics Data System (ADS)
Demirbas, Umit
2013-01-01
We present a numerical study, which investigates the potential of diode pumped Cr:LiCAF regenerative amplifiers in detail. Special attention has been given to relevant material properties of the gain media, like the Auger energy transfer upconversion (ETU) process, to utilize the full potential of the material and to develop guidelines in choosing optimal material properties like chromium doping concentration and length. Moreover, importance of pulsed pumping, rather than continuous-wave (cw) pumping, in obtaining higher small signal gain values is discussed in detail. Effects of pump power, cavity losses, excited-state absorption, seed pulse energy, optical damage and ETU on obtainable pulse energies will also be presented. The modeling results have shown that, Cr:LiCAF regenerative amplifiers pumped by two 675 nm state-of-the-art 1-W tapered diodes have the potential to produce 50-fs long pulses around 800 nm with 70 μJ pulse energy and 1.4 GW peak power at repetition rates up to 5 kHz. Moreover, a 20-W diode pumped Cr:LiCAF amplifier has the potential to produce pulse energies of 1.1 mJ and peak powers of 20 GW. Expected optical-to-optical conversion efficiencies of the systems are about 30%. These results demonstrate that, with ongoing progress in laser diode technology, low-cost and efficient Cr:Colquiriite amplifiers has the potential to replace the expensive Ti:Sapphire technology in the future.
Model for nonlinear behavior in the self-amplified spontaneous-emission free-electron laser.
Krinsky, S
2004-06-01
We introduce a simplified model for the saturation of a self-amplified spontaneous-emission free-electron laser. Within this model, we determine the effect of nonlinearity upon the statistical properties of the output radiation. Comparing our results with the computer simulations of Saldin, Schneidmiller, and Yurkov [The Physics of Free Electron Lasers (Springer-Verlag, Berlin, 2000)], we find that the model provides a good description of the average intensity, field correlation function, and coherence time, but underestimates the intensity fluctuation. Asymmetric spectral broadening phenomena are not included in the model.
Model for nonlinear behavior in the self-amplified spontaneous-emission free-electron laser
NASA Astrophysics Data System (ADS)
Krinsky, S.
2004-06-01
We introduce a simplified model for the saturation of a self-amplified spontaneous-emission free-electron laser. Within this model, we determine the effect of nonlinearity upon the statistical properties of the output radiation. Comparing our results with the computer simulations of Saldin, Schneidmiller, and Yurkov [The Physics of Free Electron Lasers (Springer-Verlag, Berlin, 2000)], we find that the model provides a good description of the average intensity, field correlation function, and coherence time, but underestimates the intensity fluctuation. Asymmetric spectral broadening phenomena are not included in the model.
Clarifying types of uncertainty: when are models accurate, and uncertainties small?
Cox, Louis Anthony Tony
2011-10-01
Professor Aven has recently noted the importance of clarifying the meaning of terms such as "scientific uncertainty" for use in risk management and policy decisions, such as when to trigger application of the precautionary principle. This comment examines some fundamental conceptual challenges for efforts to define "accurate" models and "small" input uncertainties by showing that increasing uncertainty in model inputs may reduce uncertainty in model outputs; that even correct models with "small" input uncertainties need not yield accurate or useful predictions for quantities of interest in risk management (such as the duration of an epidemic); and that accurate predictive models need not be accurate causal models.
Accurate Modeling of Scaffold Hopping Transformations in Drug Discovery.
Wang, Lingle; Deng, Yuqing; Wu, Yujie; Kim, Byungchan; LeBard, David N; Wandschneider, Dan; Beachy, Mike; Friesner, Richard A; Abel, Robert
2017-01-10
The accurate prediction of protein-ligand binding free energies remains a significant challenge of central importance in computational biophysics and structure-based drug design. Multiple recent advances including the development of greatly improved protein and ligand molecular mechanics force fields, more efficient enhanced sampling methods, and low-cost powerful GPU computing clusters have enabled accurate and reliable predictions of relative protein-ligand binding free energies through the free energy perturbation (FEP) methods. However, the existing FEP methods can only be used to calculate the relative binding free energies for R-group modifications or single-atom modifications and cannot be used to efficiently evaluate scaffold hopping modifications to a lead molecule. Scaffold hopping or core hopping, a very common design strategy in drug discovery projects, is critical not only in the early stages of a discovery campaign where novel active matter must be identified but also in lead optimization where the resolution of a variety of ADME/Tox problems may require identification of a novel core structure. In this paper, we introduce a method that enables theoretically rigorous, yet computationally tractable, relative protein-ligand binding free energy calculations to be pursued for scaffold hopping modifications. We apply the method to six pharmaceutically interesting cases where diverse types of scaffold hopping modifications were required to identify the drug molecules ultimately sent into the clinic. For these six diverse cases, the predicted binding affinities were in close agreement with experiment, demonstrating the wide applicability and the significant impact Core Hopping FEP may provide in drug discovery projects.
New process model proves accurate in tests on catalytic reformer
Aguilar-Rodriguez, E.; Ancheyta-Juarez, J. )
1994-07-25
A mathematical model has been devised to represent the process that takes place in a fixed-bed, tubular, adiabatic catalytic reforming reactor. Since its development, the model has been applied to the simulation of a commercial semiregenerative reformer. The development of mass and energy balances for this reformer led to a model that predicts both concentration and temperature profiles along the reactor. A comparison of the model's results with experimental data illustrates its accuracy at predicting product profiles. Simple steps show how the model can be applied to simulate any fixed-bed catalytic reformer.
Etch modeling for accurate full-chip process proximity correction
NASA Astrophysics Data System (ADS)
Beale, Daniel F.; Shiely, James P.
2005-05-01
The challenges of the 65 nm node and beyond require new formulations of the compact convolution models used in OPC. In addition to simulating more optical and resist effects, these models must accommodate pattern distortions due to etch which can no longer be treated as small perturbations on photo-lithographic effects. (Methods for combining optical and process modules while optimizing the speed/accuracy tradeoff were described in "Advanced Model Formulations for Optical and Process Proximity Correction", D. Beale et al, SPIE 2004.) In this paper, we evaluate new physics-based etch model formulations that differ from the convolution-based process models used previously. The new models are expressed within the compact modeling framework described by J. Stirniman et al. in SPIE, vol. 3051, p469, 1997, and thus can be used for high-speed process simulation during full-chip OPC.
Accurate model selection of relaxed molecular clocks in bayesian phylogenetics.
Baele, Guy; Li, Wai Lok Sibon; Drummond, Alexei J; Suchard, Marc A; Lemey, Philippe
2013-02-01
Recent implementations of path sampling (PS) and stepping-stone sampling (SS) have been shown to outperform the harmonic mean estimator (HME) and a posterior simulation-based analog of Akaike's information criterion through Markov chain Monte Carlo (AICM), in bayesian model selection of demographic and molecular clock models. Almost simultaneously, a bayesian model averaging approach was developed that avoids conditioning on a single model but averages over a set of relaxed clock models. This approach returns estimates of the posterior probability of each clock model through which one can estimate the Bayes factor in favor of the maximum a posteriori (MAP) clock model; however, this Bayes factor estimate may suffer when the posterior probability of the MAP model approaches 1. Here, we compare these two recent developments with the HME, stabilized/smoothed HME (sHME), and AICM, using both synthetic and empirical data. Our comparison shows reassuringly that MAP identification and its Bayes factor provide similar performance to PS and SS and that these approaches considerably outperform HME, sHME, and AICM in selecting the correct underlying clock model. We also illustrate the importance of using proper priors on a large set of empirical data sets.
Accurate phenotyping: Reconciling approaches through Bayesian model averaging
Chen, Carla Chia-Ming; Mengersen, Kerrie Lee
2017-01-01
Genetic research into complex diseases is frequently hindered by a lack of clear biomarkers for phenotype ascertainment. Phenotypes for such diseases are often identified on the basis of clinically defined criteria; however such criteria may not be suitable for understanding the genetic composition of the diseases. Various statistical approaches have been proposed for phenotype definition; however our previous studies have shown that differences in phenotypes estimated using different approaches have substantial impact on subsequent analyses. Instead of obtaining results based upon a single model, we propose a new method, using Bayesian model averaging to overcome problems associated with phenotype definition. Although Bayesian model averaging has been used in other fields of research, this is the first study that uses Bayesian model averaging to reconcile phenotypes obtained using multiple models. We illustrate the new method by applying it to simulated genetic and phenotypic data for Kofendred personality disorder—an imaginary disease with several sub-types. Two separate statistical methods were used to identify clusters of individuals with distinct phenotypes: latent class analysis and grade of membership. Bayesian model averaging was then used to combine the two clusterings for the purpose of subsequent linkage analyses. We found that causative genetic loci for the disease produced higher LOD scores using model averaging than under either individual model separately. We attribute this improvement to consolidation of the cores of phenotype clusters identified using each individual method. PMID:28423058
Towards an Accurate Performance Modeling of Parallel SparseFactorization
Grigori, Laura; Li, Xiaoye S.
2006-05-26
We present a performance model to analyze a parallel sparseLU factorization algorithm on modern cached-based, high-end parallelarchitectures. Our model characterizes the algorithmic behavior bytakingaccount the underlying processor speed, memory system performance, aswell as the interconnect speed. The model is validated using theSuperLU_DIST linear system solver, the sparse matrices from realapplications, and an IBM POWER3 parallel machine. Our modelingmethodology can be easily adapted to study performance of other types ofsparse factorizations, such as Cholesky or QR.
How Accurate Is A Hydraulic Model? | Science Inventory | US ...
Symposium paper Network hydraulic models are widely used, but their overall accuracy is often unknown. Models are developed to give utilities better insight into system hydraulic behavior, and increasingly the ability to predict the fate and transport of chemicals. Without an accessible and consistent means of validating a given model against the system it is meant to represent, the value of those supposed benefits should be questioned. Supervisory Control And Data Acquisition (SCADA) databases, though ubiquitous, are underused data sources for this type of task. Integrating a network model with a measurement database would offer professionals the ability to assess the model’s assumptions in an automated fashion by leveraging enormous amounts of data.
Accurate modeling of F-region electron densities
NASA Astrophysics Data System (ADS)
1994-01-01
In the past year, we have made considerable progress in a number of areas including algorithm development, completion of two major case studies, and the development of a new EUV flux model. As a result, there has been a major improvement in our ability to model global emissions in support of NASA's imaging plans. Activity highlights include the following: developed a new algorithm to allow physical models to reproduce observed NmF2; investigated the relationship between NmF2 and F10.7 at Millstone Hill during 1990; developed a new solar EUV flux model; statistical survey of anomalously high nighttime electron T(sub e) at Millstone Hill; conducted a case study of the March 1990 magnetic storm; and conducted a comparison between theory and data of magnetically quiet behavior of the winter ionosphere at Millstone Hill.
How Accurate Is A Hydraulic Model? | Science Inventory | US ...
Symposium paper Network hydraulic models are widely used, but their overall accuracy is often unknown. Models are developed to give utilities better insight into system hydraulic behavior, and increasingly the ability to predict the fate and transport of chemicals. Without an accessible and consistent means of validating a given model against the system it is meant to represent, the value of those supposed benefits should be questioned. Supervisory Control And Data Acquisition (SCADA) databases, though ubiquitous, are underused data sources for this type of task. Integrating a network model with a measurement database would offer professionals the ability to assess the model’s assumptions in an automated fashion by leveraging enormous amounts of data.
Accurate modeling of F-region electron densities
NASA Technical Reports Server (NTRS)
1994-01-01
In the past year, we have made considerable progress in a number of areas including algorithm development, completion of two major case studies, and the development of a new EUV flux model. As a result, there has been a major improvement in our ability to model global emissions in support of NASA's imaging plans. Activity highlights include the following: developed a new algorithm to allow physical models to reproduce observed NmF2; investigated the relationship between NmF2 and F10.7 at Millstone Hill during 1990; developed a new solar EUV flux model; statistical survey of anomalously high nighttime electron T(sub e) at Millstone Hill; conducted a case study of the March 1990 magnetic storm; and conducted a comparison between theory and data of magnetically quiet behavior of the winter ionosphere at Millstone Hill.
Modeling for accurate dimensional scanning electron microscope metrology: then and now.
Postek, Michael T; Vladár, András E
2011-01-01
A review of the evolution of modeling for accurate dimensional scanning electron microscopy is presented with an emphasis on developments in the Monte Carlo technique for modeling the generation of the electrons used for imaging and measurement. The progress of modeling for accurate metrology is discussed through a schematic technology timeline. In addition, a discussion of a future vision for accurate SEM dimensional metrology and the requirements to achieve it are presented.
A Computer Model of a CO2 Oscillator-Amplifier System
1990-12-01
vibrational temperatures of C2’s vibrational modes . A third procedure replaces the Runge- Kutta integrator used in the original model with a faster, more accurate Adams- Bashforth-Moulton predictor-corrector integrator.
Shen, Binglin; Pan, Bailiang; Jiao, Jian; Xia, Chunsheng
2015-07-27
Comprehensive analysis of kinetic and fluid dynamic processes in flowing-gas diode-pumped alkali vapor amplifiers is reported. Taking into account effects of the temperature, the amplified spontaneous emission, the saturation power, the excitation of the alkali atoms to high electronic levels and the ionization, a detailed physical model is established to simulate the output performance of flowing-gas diode-pumped alkali vapor amplifiers. Influences of the flow velocity and the pump power on the amplified power are calculated and analyzed. Comparisons between single and double amplifier, longitudinal and transverse flow are made. Results show that end-pumped cascaded amplifier can provide higher output power under the same total pump power and the cell length, while output powers achieved by single- and double-end pumped, double-side pumped amplifiers with longitudinal or transverse flow have a complicated but valuable relation. Thus the model is extremely helpful for designing high-power flowing-gas diode-pumped alkali vapor amplifiers.
ACCURATE LOW-MASS STELLAR MODELS OF KOI-126
Feiden, Gregory A.; Chaboyer, Brian; Dotter, Aaron
2011-10-10
The recent discovery of an eclipsing hierarchical triple system with two low-mass stars in a close orbit (KOI-126) by Carter et al. appeared to reinforce the evidence that theoretical stellar evolution models are not able to reproduce the observational mass-radius relation for low-mass stars. We present a set of stellar models for the three stars in the KOI-126 system that show excellent agreement with the observed radii. This agreement appears to be due to the equation of state implemented by our code. A significant dispersion in the observed mass-radius relation for fully convective stars is demonstrated; indicative of the influence of physics currently not incorporated in standard stellar evolution models. We also predict apsidal motion constants for the two M dwarf companions. These values should be observationally determined to within 1% by the end of the Kepler mission.
Accurate two-equation modelling of falling film flows
NASA Astrophysics Data System (ADS)
Ruyer-Quil, Christian
2015-11-01
The low-dimensional modeling of the wave dynamics of a falling liquid film on an inclined plane is revisited. The advantages and shortcomings of existing modelling approaches: weighted residual method, center-manifold analysis, consistent Saint-Venant approach are discussed and contrasted. A novel formulation of a two-equation consistent model is proposed. The proposed formulation cures the principal limitations of previous approaches: (i) apart from surface tension terms, it admits a conservative form which enables to make use of efficient numerical schemes, (ii) it recovers with less than 1 percent of error the asymptotic speed of solitary waves in the inertial regime found by DNS, (iii) it adequately captures the velocity field under the waves and in particular the wall drag. Research supported by Insitut Universitaire de France.
Inflation model building with an accurate measure of e -folding
NASA Astrophysics Data System (ADS)
Chongchitnan, Sirichai
2016-08-01
It has become standard practice to take the logarithmic growth of the scale factor as a measure of the amount of inflation, despite the well-known fact that this is only an approximation for the true amount of inflation required to solve the horizon and flatness problems. The aim of this work is to show how this approximation can be completely avoided using an alternative framework for inflation model building. We show that using the inverse Hubble radius, H =a H , as the key dynamical parameter, the correct number of e -folding arises naturally as a measure of inflation. As an application, we present an interesting model in which the entire inflationary dynamics can be solved analytically and exactly, and, in special cases, reduces to the familiar class of power-law models.
Building accurate geometric models from abundant range imaging information
Diegert, C.; Sackos, J.; Nellums, R.
1997-05-01
The authors define two simple metrics for accuracy of models built from range imaging information. They apply the metric to a model built from a recent range image taken at the Laser Radar Development and Evaluation Facility (LDERF), Eglin AFB, using a Scannerless Range Imager (SRI) from Sandia National Laboratories. They also present graphical displays of the residual information produced as a byproduct of this measurement, and discuss mechanisms that these data suggest for further improvement in the performance of this already impressive SRI.
Magnetic field models of nine CP stars from "accurate" measurements
NASA Astrophysics Data System (ADS)
Glagolevskij, Yu. V.
2013-01-01
The dipole models of magnetic fields in nine CP stars are constructed based on the measurements of metal lines taken from the literature, and performed by the LSD method with an accuracy of 10-80 G. The model parameters are compared with the parameters obtained for the same stars from the hydrogen line measurements. For six out of nine stars the same type of structure was obtained. Some parameters, such as the field strength at the poles B p and the average surface magnetic field B s differ considerably in some stars due to differences in the amplitudes of phase dependences B e (Φ) and B s (Φ), obtained by different authors. It is noted that a significant increase in the measurement accuracy has little effect on the modelling of the large-scale structures of the field. By contrast, it is more important to construct the shape of the phase dependence based on a fairly large number of field measurements, evenly distributed by the rotation period phases. It is concluded that the Zeeman component measurement methods have a strong effect on the shape of the phase dependence, and that the measurements of the magnetic field based on the lines of hydrogen are more preferable for modelling the large-scale structures of the field.
Steady-periodic method for modeling mode instability in fiber amplifiers.
Smith, Arlee V; Smith, Jesse J
2013-02-11
We present a detailed description of the methods used in our model of mode instability in high-power, rare earth-doped, large-mode-area fiber amplifiers. Our model assumes steady-periodic behavior, so it is appropriate to operation after turn on transients have dissipated. It can be adapted to transient cases as well. We describe our algorithm, which includes propagation of the signal field by fast-Fourier transforms, steady-state solutions of the laser gain equations, and two methods of solving the time-dependent heat equation: alternating-direction-implicit integration, and the Green's function method for steady-periodic heating.
Sensing in the mouth: A model for filiform papillae as strain amplifiers
NASA Astrophysics Data System (ADS)
Lauga, Eric; Pipe, Christopher; Le Révérend, Benjamin
2016-08-01
Texture perception of foods is a common yet remarkably unstudied biophysical problem. Motivated by recent experiments reporting the presence of corpuscular endings in tongue filiform papillae, we develop in this work a mechanical model of the human tongue covered with filiform papillae in the form of elastic beams. Considering the typical flows that occur in the mouth during oral evaluation of Newtonian liquids, we suggest that filiform papillae may act either as direct strain sensors and/or as indirect strain amplifiers for the underlying mucosal tissue. Application of this model may also be valid for other biological appendages, such as primary cilliae and superficial neuromasts.
Incorporating many-body effects into modeling of semiconductor lasers and amplifiers
Ning, C.Z.; Moloney, J.V.; Indik, R.A.
1997-06-01
Major many-body effects that are important for semiconductor laser modeling are summarized. The authors adopt a bottom-up approach to incorporate these many-body effects into a model for semiconductor lasers and amplifiers. The optical susceptibility function ({Chi}) computed from the semiconductor Bloch equations (SBEs) is approximated by a single Lorentzian, or a superposition of a few Lorentzians in the frequency domain. Their approach leads to a set of effective Bloch equations (EBEs). The authors compare this approach with the full microscopic SBEs for the case of pulse propagation. Good agreement between the two is obtained for pulse widths longer than tens of picoseconds.
Accurate first principles model potentials for intermolecular interactions.
Gordon, Mark S; Smith, Quentin A; Xu, Peng; Slipchenko, Lyudmila V
2013-01-01
The general effective fragment potential (EFP) method provides model potentials for any molecule that is derived from first principles, with no empirically fitted parameters. The EFP method has been interfaced with most currently used ab initio single-reference and multireference quantum mechanics (QM) methods, ranging from Hartree-Fock and coupled cluster theory to multireference perturbation theory. The most recent innovations in the EFP model have been to make the computationally expensive charge transfer term much more efficient and to interface the general EFP dispersion and exchange repulsion interactions with QM methods. Following a summary of the method and its implementation in generally available computer programs, these most recent new developments are discussed.
Modeling Of Induction-Linac Based Free-Electron Laser Amplifiers
NASA Astrophysics Data System (ADS)
Jong, Raynard A.; Fawley, William M.; Scharlemann, Ernst T.
1989-05-01
We describe the modeling of an induction-linac based free-electron laser (IFEL) amplifier for producing multi-megawatt levels of microwave power. We have used the Lawrence Livermore National Laboratory (LLNL) free-electron laser simulation code, FRED, and the simulation code for sideband calculations, GINGER for this study. For IFEL amplifiers in the frequency range of interest (200 to 600 GHz), we have devised a wiggler design strategy which incorporates a tapering algorithm that is suitable for free-electron laser (FEL) systems with moderate space-charge effects and that minimizes spontaneous noise growth at frequencies below the fundamental, while enhancing the growth of the signal at the fundamental. In addition, engineering design considerations of the waveguide wall loading and electron beam fill factor in the waveguide set limits on the waveguide dimensions, the wiggler magnet gap spacing, the wiggler period, and the minimum magnetic field strength in the tapered region of the wiggler. As an example, we shall describe an FEL amplifier designed to produce an average power of about 10 MW at a frequency of 280 GHz to be used for electron cyclotron resonance heating of tokamak fusion devices.
Modeling of induction-linac based free-electron laser amplifiers
NASA Astrophysics Data System (ADS)
Jong, R. A.; Fawley, W. M.; Scharlemann, E. T.
1988-12-01
We describe the modeling of an induction-linac based free-electron laser (IFEL) amplifier for producing multimegawatt levels of microwave power. We have used the Lawrence Livermore National Laboratory (LLNL) free-electron laser simulation code, FRED, and the simulation code for sideband calculations, GINGER for this study. For IFEL amplifiers in the frequency range of interest (200 to 600 GHz), we have devised a wiggler design strategy which incorporates a tapering algorithm that is suitable for Free-Electron Laser (FEL) systems with moderate space-charge effects and that minimizes spontaneous noise growth at frequencies below the fundamental, while enhancing the growth of the signal at the fundamental. In addition, engineering design considerations of the waveguide wall loading and electron beam fill factor in the waveguide set limits on the waveguide dimensions, the wiggler magnet gap spacing, the wiggler period, and the minimum magnetic field strength in the tapered region of the wiggler. As an example, we shall describe an FEL amplifier designed to produce an average power of about 10 MW at a frequency of 280 GHz to be used for electron cyclotron resonance heating of tokamak fusion devices.
Accurate numerical solutions for elastic-plastic models. [LMFBR
Schreyer, H. L.; Kulak, R. F.; Kramer, J. M.
1980-03-01
The accuracy of two integration algorithms is studied for the common engineering condition of a von Mises, isotropic hardening model under plane stress. Errors in stress predictions for given total strain increments are expressed with contour plots of two parameters: an angle in the pi plane and the difference between the exact and computed yield-surface radii. The two methods are the tangent-predictor/radial-return approach and the elastic-predictor/radial-corrector algorithm originally developed by Mendelson. The accuracy of a combined tangent-predictor/radial-corrector algorithm is also investigated.
Accurate Force Field Development for Modeling Conjugated Polymers.
DuBay, Kateri H; Hall, Michelle Lynn; Hughes, Thomas F; Wu, Chuanjie; Reichman, David R; Friesner, Richard A
2012-11-13
The modeling of the conformational properties of conjugated polymers entails a unique challenge for classical force fields. Conjugation imposes strong constraints upon bond rotation. Planar configurations are favored, but the concomitantly shortened bond lengths result in moieties being brought into closer proximity than usual. The ensuing steric repulsions are particularly severe in the presence of side chains, straining angles, and stretching bonds to a degree infrequently found in nonconjugated systems. We herein demonstrate the resulting inaccuracies by comparing the LMP2-calculated inter-ring torsion potentials for a series of substituted stilbenes and bithiophenes to those calculated using standard classical force fields. We then implement adjustments to the OPLS-2005 force field in order to improve its ability to model such systems. Finally, we show the impact of these changes on the dihedral angle distributions, persistence lengths, and conjugation length distributions observed during molecular dynamics simulations of poly[2-methoxy-5-(2'-ethylhexyloxy)-p-phenylene vinylene] (MEH-PPV) and poly 3-hexylthiophene (P3HT), two of the most widely used conjugated polymers.
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.
Johnstone, C.W.
1958-06-17
The improvement of pulse amplifiers used with scintillation detectors is described. The pulse amplifier circuit has the advantage of reducing the harmful effects of overloading cause by large signal inputs. In general the pulse amplifier circuit comprises two amplifier tubes with the input pulses applied to one amplifier grid and coupled to the second amplifier tube through a common cathode load. The output of the second amplifier is coupled from the plate circuit to a cathode follower tube grid and a diode tube in connected from grid to cathode of the cathode follower tube. Degenerative feedback is provided in the second amplifier by coupling a signal from the cathode follower cathode to the second amplifier grid. The circuit proqides moderate gain stability, and overload protection for subsequent pulse circuits.
Electronic amplifiers: A compilation
NASA Technical Reports Server (NTRS)
1971-01-01
Several types of amplifiers and amplifier systems are considered. These include preamplifiers, high power amplifiers, buffer and isolation amplifiers, amplifier circuits, and general purpose amplifiers.
Liu, Hao; Shao, Qi; Fang, Xuelin
2017-02-01
For the class-E amplifier in a wireless power transfer (WPT) system, the design parameters are always determined by the nominal model. However, this model neglects the conduction loss and voltage stress of MOSFET and cannot guarantee the highest efficiency in the WPT system for biomedical implants. To solve this problem, this paper proposes a novel circuit model of the subnominal class-E amplifier. On a WPT platform for capsule endoscope, the proposed model was validated to be effective and the relationship between the amplifier's design parameters and its characteristics was analyzed. At a given duty ratio, the design parameters with the highest efficiency and safe voltage stress are derived and the condition is called 'optimal subnominal condition.' The amplifier's efficiency can reach the highest of 99.3% at the 0.097 duty ratio. Furthermore, at the 0.5 duty ratio, the measured efficiency of the optimal subnominal condition can reach 90.8%, which is 15.2% higher than that of the nominal condition. Then, a WPT experiment with a receiving unit was carried out to validate the feasibility of the optimized amplifier. In general, the design parameters of class-E amplifier in a WPT system for biomedical implants can be determined with the proposed optimization method in this paper.
Coherently amplified negative feedback loop as a model for NF-kappaB oscillations
NASA Astrophysics Data System (ADS)
Joo, Jaewook
2010-03-01
The cells secrets various signaling molecules as a response to an external signal and modulate its own signaling processes. The precise role of this autocrine and/or paracrine signaling on cell information processing is mostly unknown. We will present the effect of TNF alpha autocrine signaling on NF-kappaB oscillations, using a simplified model of coherently amplified negative feedback loop. We will discuss the bifurcation diagram (i.e., dose-response curve), especially the robustness and the tenability of the period of NF-kappaB oscillations. Finally, we will compare the results from the above model with those from a previous model of time-delayed negative feedback alone.
Modeling the photodegradation of large mode area Yb-doped fiber power amplifiers
NASA Astrophysics Data System (ADS)
Laperle, Pierre; Desbiens, Louis; Le Foulgoc, Karine; Drolet, Mathieu; Deladurantaye, Pascal; Proulx, Antoine; Taillon, Yves
2009-02-01
Photodarkening is presently a major concern for the long term reliability and efficiency of high power Yb-doped fiber lasers and amplifiers. This phenomenon has been associated with the formation of color centers in the fiber core of single-clad and large mode area Yb-doped fibers. However, its origin is still not well understood and to date no comprehensive model that could predict the lifetime of Yb-doped fiber-based devices has been put forward. A semi-empirical approach seems at the moment the best way to gain a better understanding of the growth behavior of photo-induced losses in Yb-doped fibers in the presence of both photodarkening and photobleaching processes. A rate equation describing the activation and deactivation of color centers involving stretched exponential functions has been developed. For this approach to be effective and reliable, a minimum of parameters is used, four to describe photodarkening and three for photobleaching. A large mode area Yb-doped fiber fabricated at INO using the MCVD process has been characterized. By properly choosing the initial pumping conditions, each parameter of the stretched exponential functions has been measured separately from the others. The model has then been used to simulate the power decay from a 1 kW, 10 ns-pulse, 100 kHz Yd-doped LMA fiber power amplifier. We show that the photodarkening behavior predicted by the model is in good agreement with the experimental results over more than 6000 hours. Such a model is general in its application but the stretched exponential parameters are unique to the type of fiber tested. The model will be a useful characterization tool for developing photodarkening-resistant fibers and for evaluating the lifetime of Yb-doped fiber-based devices affected by photodegradation.
Modeling of manometer-based oscillations with a second-order accurate scheme
Petelin, S.; Tiselj, I.
1997-12-01
Modeling of manometer-type oscillations by the computer codes RELAP5 and TRAC represents a difficult problem because of the two-fluid models used in both codes and because of the numerical damping of the first-order accurate numerical schemes. Separate liquid-level-tracking models are suggested to improve the accuracy of the solutions. This paper summarizes the results of a new approach. RELAP5/MOD3.2 calculations with a first-order accurate numerical scheme, with and without level tracking, were compared with the results of the 2F code with a second-order accurate numerical scheme for a six-equation two-fluid model. As an assessment case, U-tube liquid oscillations were simulated. The main objective of the work is to study the behavior of the second-order accurate schemes in the modeling of the vertically stratified flows.
Numerical Modelling of C-Band Bismuth-Based Erbium Doped Amplifier
NASA Astrophysics Data System (ADS)
Parvizi, R.; Ali, N. M.; Harun, S. W.; Ahmad, H.
2011-03-01
Multi A performance of the Bismuth-based Erbium-doped fiber amplifier (Bi-EDFA) is experimentally and theoretically investigated using 1480 nm forward pumping scheme. In the theoretical analysis, the rate and power propagation equations are solved to examine the effect of fiber length on the bandwidth of the gain spectra. At C-band region, the small signal gain of the Bi-EDFA varies from 20 to 23 dB with 49 cm long Bi-EDF and 150 mW of 1480 nm pump power. It is shown that the calculated gain and noise figure are in good agreement with the experimental results, verifying the feasibility of our theoretical model. However, the experimental result shows a relatively lower gain and higher noise figure compared to the theoretical result due to the spurious reflection in the cavity and insertion loss of the Bi-EDF which was neglected in our theoretical model.
NASA Astrophysics Data System (ADS)
Cheng, Jingchi; Tang, Ming; Fu, Songnian; Shum, Perry Ping; Liu, Deming
2016-12-01
The distributed Raman amplifier (DRA) has been widely utilized in state-of-the-art coherent optical communication systems using multi-level modulation formatted signals in order to improve transmission performance. A general model based on Jones vector notation governing the signal propagation under Raman amplified link is proposed. Primary physics including both linear and nonlinear effects have been taken into account. The numerical approach for solving the equations is illustrated in detail. Using the model, system characterization and optimization can be easily performed. We also compare our model with the commonly used coarse-step method. It is found that the coarse-step method will exaggerate the cross-polarization modulation induced impairments by over 6 dB and will become unusable when the pump power is as high as several Watts. The proposed model provides a guideline for the simulation of Raman amplified coherent transmission systems.
Thermal modeling of gain competition in Yb-doped large-mode-area photonic-crystal fiber amplifier.
Rosa, Lorenzo; Coscelli, Enrico; Poli, Federica; Cucinotta, Annamaria; Selleri, Stefano
2015-07-13
We propose a new model for gain competition effects in high-power fiber amplifiers, which accounts for the thermal effects of heat load on the doped core overlap of the propagating light field. The full-vectorial nature of the fiber modes is modeled by an embedded finite-element method modal solver, and the temperature profile is calculated by a simple and efficient radial heat propagation solver. The model is applied to a Yb³⁺-doped LPF45 air-clad photonic-crystal fiber amplifier for coand counter-propagating pumping setups, showing gain competition in conditions of severe heat load.
NASA Astrophysics Data System (ADS)
Renssen, H.; Goosse, H.; Muscheler, R.
2006-12-01
Centennial-scale climatic cooling events that occurred in the North Atlantic region during the Holocene (the last 11,500 years) have been linked to variations in solar irradiance. These cool phases have been registered in a variety of paleoclimatic archives, such as marine sediments, lake level data and glacier records. The timing of the coolings correlates with periods of reduced solar activity as reconstructed using cosmogenic isotopes. This solar-climate link, however, has been debated because the solar irradiance changes are assumed to be relatively small and probably cannot fully explain the temperature reductions (0.5 to 1°C in Europe), suggesting that an amplifying mechanism is required to account for the magnitude of the observed climate changes. We have used the coupled global atmosphere-ocean-vegetation model ECBilt-CLIO-VECODE to perform transient simulations of the last 9,000 years, forced by variations in orbital parameters, atmospheric greenhouse gas concentrations and total solar irradiance (TSI). The model has been run in ensemble mode to estimate the range of natural variability. Our objective is to study the impact of decadal-to-centennial scale TSI variations on Holocene climate variability. The simulations show that negative TSI anomalies increase the probability of temporary relocations of the site with deepwater formation in the Nordic Seas, causing an expansion of sea ice that produces additional cooling. The consequence is a characteristic climatic anomaly pattern with cooling over most of the North Atlantic region that is consistent with proxy evidence for Holocene cold phases, for instance the well-known cooling event centered at 2.7 kyr BP. Our results thus suggest that the ocean is able to play an important role in amplifying centennial-scale climate variability.
De Shong, J.A. Jr.
1957-12-31
A logarithmic current amplifier circuit having a high sensitivity and fast response is described. The inventor discovered the time constant of the input circuit of a system utilizing a feedback amplifier, ionization chamber, and a diode, is inversely proportional to the input current, and that the amplifier becomes unstable in amplifying signals in the upper frequency range when the amplifier's forward gain time constant equals the input circuit time constant. The described device incorporates impedance networks having low frequency response characteristic at various points in the circuit to change the forward gain of the amplifler at a rate of 0.7 of the gain magnitude for every two times increased in frequency. As a result of this improvement, the time constant of the input circuit is greatly reduced at high frequencies, and the amplifier response is increased.
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.
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.
Fast and accurate calculation of dilute quantum gas using Uehling-Uhlenbeck model equation
NASA Astrophysics Data System (ADS)
Yano, Ryosuke
2017-02-01
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 calculating 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.
An efficient and accurate model of the coax cable feeding structure for FEM simulations
NASA Technical Reports Server (NTRS)
Gong, Jian; Volakis, John L.
1995-01-01
An efficient and accurate coax cable feed model is proposed for microstrip or cavity-backed patch antennas in the context of a hybrid finite element method (FEM). A TEM mode at the cavity-cable junction is assumed for the FEM truncation and system excitation. Of importance in this implementation is that the cavity unknowns are related to the model fields by enforcing an equipotential condition rather than field continuity. This scheme proved quite accurate and may be applied to other decomposed systems as a connectivity constraint. Comparisons of our predictions with input impedance measurements are presented and demonstrate the substantially improved accuracy of the proposed model.
Universal signal conditioning amplifier
NASA Technical Reports Server (NTRS)
Medelius, Pedro J.; Hallberg, Carl; Cecil, Jim
1994-01-01
A state-of-the-art instrumentation amplifier capable of being used with most types of transducers has been developed at the Kennedy Space Center. This Universal Signal Conditioning Amplifier (USCA) can eliminate costly measurement setup item and troubleshooting, improve system reliability and provide more accurate data than conventional amplifiers. The USCA can configure itself for maximum resolution and accuracy based on information read from a RAM chip attached to each transducer. Excitation voltages or current are also automatically configured. The amplifier uses both analog and digital state-of-the-art technology with analog-to-digital conversion performed in the early stages in order to minimize errors introduced by offset and gain drifts in the analog components. A dynamic temperature compensation scheme has been designed to achieve and maintain 12-bit accuracy of the amplifier from 0 to 70 C. The digital signal processing section allows the implementation of digital filters up to 511th order. The amplifier can also perform real-time linearizations up to fourth order while processing data at a rate of 23.438 kS/s. Both digital and analog outputs are available from the amplifier.
Bayesian parameter estimation of a k-ε model for accurate jet-in-crossflow simulations
Ray, Jaideep; Lefantzi, Sophia; Arunajatesan, Srinivasan; Dechant, Lawrence
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.
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.
ERIC Educational Resources Information Center
Foxcroft, G. E.
1986-01-01
Addresses the introduction of low cost equipment into high school and college physical science classes. Examines the properties of an "ideal" operational amplifier and discusses how it might be used under saturated and non-saturated conditions. Notes the action of a "real" operational amplifier. (TW)
ERIC Educational Resources Information Center
Foxcroft, G. E.
1986-01-01
Addresses the introduction of low cost equipment into high school and college physical science classes. Examines the properties of an "ideal" operational amplifier and discusses how it might be used under saturated and non-saturated conditions. Notes the action of a "real" operational amplifier. (TW)
NASA Astrophysics Data System (ADS)
Keeports, David
2006-12-01
By definition, a high fidelity amplifier's instantaneous output voltage is directly proportional to its instantaneous input voltage. While high fidelity is generally valued in the amplification of recorded music, nonlinearity, also known as distortion, is desirable in the amplification of some musical instruments. In particular, guitar amplifiers exploit nonlinearity to increase both the harmonic content and sustain of a guitar's sound. I will discuss how both modifications in sound result from saturation of triode tubes and transistors. Additionally, I will describe the difference in the symmetry of saturation curves for transistors and tubes and the reason why tube guitar amplifiers are generally considered to be superior to solid-state amplifiers. Finally, I will discuss attempts to use solid-state electronics to replicate the sound of tube amplifiers.
Improving light propagation Monte Carlo simulations with accurate 3D modeling of skin tissue
Paquit, Vincent C; Price, Jeffery R; Meriaudeau, Fabrice; Tobin Jr, Kenneth William
2008-01-01
In this paper, we present a 3D light propagation model to simulate multispectral reflectance images of large skin surface areas. In particular, we aim to simulate more accurately the effects of various physiological properties of the skin in the case of subcutaneous vein imaging compared to existing models. Our method combines a Monte Carlo light propagation model, a realistic three-dimensional model of the skin using parametric surfaces and a vision system for data acquisition. We describe our model in detail, present results from the Monte Carlo modeling and compare our results with those obtained with a well established Monte Carlo model and with real skin reflectance images.
Are Solar Activity Variations Amplified by the QBO: A Modeling Study
NASA Technical Reports Server (NTRS)
Mengel, J. G.; Mayr, H. G.; Drob, D. P.; Porter, H. S.; Bhartia, P. K. (Technical Monitor)
2002-01-01
Solar cycle activity effects (SCAE) in the lower and middle atmosphere, reported in several studies, are difficult to explain on the basis of the small changes in solar radiation that accompany the 11-year cycle. It is therefore natural to speculate that dynamical processes may come into play to produce a leverage. Such a leverage may be provided by the Quasi-Biennial Oscillation (QBO) in the zonal circulation of the stratosphere, which has been linked to solar activity variations. Driven primarily by wave mean flow interaction, the QBO period and its amplitude are variable but are also strongly influenced by the seasonal cycle in the solar radiation. This influence extends to low altitudes and is referred to as 'downward control'. Small changes in the solar radiative forcing may produce small changes in the period and phase of the QBO, but these in turn may produce measurable differences in the wind field. Thus, the QBO may be an amplifier of solar activity variations and a natural conduit of these variations to lower altitudes. To test this hypothesis, we conducted experiments with a 2D version of our Numerical Spectral Model that incorporates Hines' Doppler Spread Parameterization for small-scale gravity waves (GW). Solar cycle radiance variations (SCRV) are accounted for by changing the radiative heating rate on a logarithmic scale from 0.1% at the surface to 1% at 50 km to 10% at 100 km. With and without SCRV, but with the same GW flux, we then conduct numerical experiments to evaluate the magnitude of the SCAE in the zonal circulation. The numerical results indicate that, under certain conditions, the SCAE is significant and can extend to lower altitudes where the SCRV is small. For a modeled QBO period of 30 months, we find that the seasonal cycle in the solar forcing acts as a strong pacemaker to lock up the phase and period of the QBO. The SCAE then shows up primarily as a distinct but relatively weak amplitude modulation. But with a different QBO period
Are Solar Activity Variations Amplified by the QBO: A Modeling Study
NASA Technical Reports Server (NTRS)
Mengel, J. G.; Mayr, H. G.; Drob, D. P.; Porter, H. S.; Bhartia, P. K. (Technical Monitor)
2002-01-01
Solar cycle activity effects (SCAE) in the lower and middle atmosphere, reported in several studies, are difficult to explain on the basis of the small changes in solar radiation that accompany the 11-year cycle. It is therefore natural to speculate that dynamical processes may come into play to produce a leverage. Such a leverage may be provided by the Quasi-Biennial Oscillation (QBO) in the zonal circulation of the stratosphere, which has been linked to solar activity variations. Driven primarily by wave mean flow interaction, the QBO period and its amplitude are variable but are also strongly influenced by the seasonal cycle in the solar radiation. This influence extends to low altitudes and is referred to as 'downward control'. Small changes in the solar radiative forcing may produce small changes in the period and phase of the QBO, but these in turn may produce measurable differences in the wind field. Thus, the QBO may be an amplifier of solar activity variations and a natural conduit of these variations to lower altitudes. To test this hypothesis, we conducted experiments with a 2D version of our Numerical Spectral Model that incorporates Hines' Doppler Spread Parameterization for small-scale gravity waves (GW). Solar cycle radiance variations (SCRV) are accounted for by changing the radiative heating rate on a logarithmic scale from 0.1% at the surface to 1% at 50 km to 10% at 100 km. With and without SCRV, but with the same GW flux, we then conduct numerical experiments to evaluate the magnitude of the SCAE in the zonal circulation. The numerical results indicate that, under certain conditions, the SCAE is significant and can extend to lower altitudes where the SCRV is small. For a modeled QBO period of 30 months, we find that the seasonal cycle in the solar forcing acts as a strong pacemaker to lock up the phase and period of the QBO. The SCAE then shows up primarily as a distinct but relatively weak amplitude modulation. But with a different QBO period
The microstrip SQUID amplifier
NASA Astrophysics Data System (ADS)
Therrien, Roy
.2 K. The low-loss transmission line model fits the real and imaginary parts of the microstrip input impedance very accurately. We map the low-loss transmission line model into an equivalent parallel RLC circuit in which a resistance R, inductance L, and capacitance C are calculated from the characteristic impedance and attenuation factor determined from the fits to the input impedance data. Using this equivalent RLC circuit, we model the microstrip SQUID and input network with a lumped circuit model which accurately predicts the observed gain of the amplifier. We find that gain is maximized when the input circuit is critically matched, with the imaginary part of the input impedance summing to zero and the real part equal to the 50O resistance of the coaxial input line. Thus, the full signal power is transmitted into the microstrip resonator and is dissipated in the equivalent resistance R.
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
Winters, Taylor M; Takahashi, Mitsuhiko; Lieber, Richard L; Ward, Samuel R
2011-01-04
An a priori model of the whole active muscle length-tension relationship was constructed utilizing only myofilament length and serial sarcomere number for rabbit tibialis anterior (TA), extensor digitorum longus (EDL), and extensor digitorum II (EDII) muscles. Passive tension was modeled with a two-element Hill-type model. Experimental length-tension relations were then measured for each of these muscles and compared to predictions. The model was able to accurately capture the active-tension characteristics of experimentally-measured data for all muscles (ICC=0.88 ± 0.03). Despite their varied architecture, no differences in predicted versus experimental correlations were observed among muscles. In addition, the model demonstrated that excursion, quantified by full-width-at-half-maximum (FWHM) of the active length-tension relationship, scaled linearly (slope=0.68) with normalized muscle fiber length. Experimental and theoretical FWHM values agreed well with an intraclass correlation coefficient of 0.99 (p<0.001). In contrast to active tension, the passive tension model deviated from experimentally-measured values and thus, was not an accurate predictor of passive tension (ICC=0.70 ± 0.07). These data demonstrate that modeling muscle as a scaled sarcomere provides accurate active functional but not passive functional predictions for rabbit TA, EDL, and EDII muscles and call into question the need for more complex modeling assumptions often proposed. Published by Elsevier Ltd.
Puche, Juan E.; Lee, Youngmin A.; Jiao, Jingjing; Aloman, Costica; Fiel, Maria I.; Muñoz, Ursula; Kraus, Thomas; Lee, Tingfang; Yee, Hal F.; Friedman, Scott L.
2012-01-01
We have developed a novel model for depleting mouse HSCs that has allowed us to clarify their contributions to hepatic injury and fibrosis. Transgenic mice (TG) expressing the herpes simplex virus-Thymidine kinase gene (HSV-Tk) driven by the mouse GFAP promoter were used to render proliferating HSCs susceptible to killing in response to ganciclovir (GCV). Effects of GCV were explored in primary HSCs and in vivo. Panlobular damage was provoked to maximize HSC depletion by combining carbon tetrachloride (CCl4) (centrilobular injury) with allyl alcohol (AA) (periportal injury), as well as in a bile duct ligation (BDL) model. Cell depletion in situ was quantified using dual-immunofluorescence (IF) for desmin and GFAP. In primary HSCs isolated from both untreated wild type (WT) and TG mice, GCV induced cell death in ~50% of HSCs from TG but not WT mice. In TG mice treated with CCl4+AA+GCV, there was a significant decrease in GFAP & desmin positive cells compared to WT mice (~65% reduction, p<0.01), which was accompanied by a decrease in the expression of HSC activation markers (α-SMA, β-PDGFR and collagen I). Similar results were seen following BDL. Associated with HSC depletion in both fibrosis models, there was marked attenuation of fibrosis and liver injury, as indicated by Sirius Red/Fast Green, H&E quantification and serum ALT/AST. Hepatic expression of IL-10 and IFN-γ was increased following HSC depletion. No toxicity of GCV in either WT or TG mice accounted for the differences in injury. Conclusion Activated HSCs significantly amplify the hepatic response to liver injury, further expanding this cell type's repertoire in orchestrating hepatic injury and repair. PMID:22961591
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 Astrophysics Data System (ADS)
Kato, Takayuki; Kogami, Yoshinori; Funahashi, Yuuki; Yamaoka, Atsushi; Yamaguchi, Keiichi; Tanabe, Yasuhiko; Zhou, Jiafeng; Morris, Kevin; T. Watkins, Gavin
Recently, dynamic power supply voltage techniques, such as an Envelope Elimination and Restoration power amplifier (EER-PA) or Envelope-Tracking Power amplifier (ET-PA), have been attracting much attention because they can maintain high efficiency in large back-off region [1]-[6]. The dynamic power supply voltage techniques cause strong nonlinearity compared to a conventional power amplifier, hence a memoryless Digital Predistortion (DPD) technique is indispensable for these efficiency enhancement techniques. However, the performance of the memoryless DPD is degraded due to the frequency response of the envelope amplifier in the dynamic power supply voltage techniques [7]-[9]. In this paper, we clarify the degradation mechanisms of the memoryless DPD for the EER-PA due to the frequency response of the envelope amplifier based on the results of two-tone tests, and propose an analytical model for improving the performance of the memoryless DPD developed for the EER-PA. In addition, a prototype EER-PA is developed and we demonstrate that the residual distortion of the developed EER-PA with conventional memoryless DPD algorithm is compensated by the new algorithm based on the proposed analytical model. In the two-tone test, third-order intermodulation distortion (IMD3) with a tone spacing from 100kHz to 4MHz is improvement by up to 25dB by the memoryless DPD algorithm based on the proposed model. Measured adjacent channel leakage power ratio (ACPR) of the developed EER-PA is improved from -22.5dBc to -42.5dBc in the OFDM signal test with 1.08MHz bandwidth.
NASA Astrophysics Data System (ADS)
Wang, Dong-Xue (Michael)
2006-07-01
Recent advances in optoelectronic devices require sophisticated optical simulation and modeling. These tiny semiconductor device structures, such as semiconductor lasers and light emitting diodes (LED), not only need detailed electrical computation, such as band structure, carrier transportation, and electron-hole recombination under different external voltages, but also require comprehensive optical modeling, such as photon generation and propagation. Optical modeling also includes waveguide structure calculations, guided mode and leakage mode identification, as well far-field pattern prediction using optical ray tracing. In modeling semiconductor lasers, light emission and propagation can be treated using the single mode of wave optics, the so-called photon propagation equation coupled with carrier transport equations. These differential equations can be numerically solved using the Finite Difference Method (FDM). In the LED modeling, the main tools are based on optical ray tracing, and photons are treated as light emissions with random directions and polarizations. Optical waveguide theory is used to qualitatively analyze photon emissions inside a LED chip, and helps to design the LED device structure. One important area of semiconductor laser modeling is the optical simulation of the wavelength converter based on semiconductor optical amplifiers (SOA). This wavelength converter is a critical device in optical communication, and it can copy information from one wavelength to anther through cross-gain modulation. Some numerical methods have been developed to model the wavelength conversion. In these methods, solutions are found by solving differential equations in the time domain using FDM. In all previous models, the waveguide internal loss is assumed uniform across the cavity of the SOA, or the gain coefficient is based on the polynomial approximation method, i.e., the gain coefficient is assumed proportional to the difference between the carrier and
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.
Development of modified cable models to simulate accurate neuronal active behaviors
2014-01-01
In large network and single three-dimensional (3-D) neuron simulations, high computing speed dictates using reduced cable models to simulate neuronal firing behaviors. However, these models are unwarranted under active conditions and lack accurate representation of dendritic active conductances that greatly shape neuronal firing. Here, realistic 3-D (R3D) models (which contain full anatomical details of dendrites) of spinal motoneurons were systematically compared with their reduced single unbranched cable (SUC, which reduces the dendrites to a single electrically equivalent cable) counterpart under passive and active conditions. The SUC models matched the R3D model's passive properties but failed to match key active properties, especially active behaviors originating from dendrites. For instance, persistent inward currents (PIC) hysteresis, frequency-current (FI) relationship secondary range slope, firing hysteresis, plateau potential partial deactivation, staircase currents, synaptic current transfer ratio, and regional FI relationships were not accurately reproduced by the SUC models. The dendritic morphology oversimplification and lack of dendritic active conductances spatial segregation in the SUC models caused significant underestimation of those behaviors. Next, SUC models were modified by adding key branching features in an attempt to restore their active behaviors. The addition of primary dendritic branching only partially restored some active behaviors, whereas the addition of secondary dendritic branching restored most behaviors. Importantly, the proposed modified models successfully replicated the active properties without sacrificing model simplicity, making them attractive candidates for running R3D single neuron and network simulations with accurate firing behaviors. The present results indicate that using reduced models to examine PIC behaviors in spinal motoneurons is unwarranted. PMID:25277743
NASA Astrophysics Data System (ADS)
Rumple, Christopher; Krane, Michael; Richter, Joseph; Craven, Brent
2013-11-01
The mammalian nose is a multi-purpose organ that houses a convoluted airway labyrinth responsible for respiratory air conditioning, filtering of environmental contaminants, and chemical sensing. Because of the complexity of the nasal cavity, the anatomy and function of these upper airways remain poorly understood in most mammals. However, recent advances in high-resolution medical imaging, computational modeling, and experimental flow measurement techniques are now permitting the study of respiratory airflow and olfactory transport phenomena in anatomically-accurate reconstructions of the nasal cavity. Here, we focus on efforts to manufacture an anatomically-accurate transparent model for stereoscopic particle image velocimetry (SPIV) measurements. Challenges in the design and manufacture of an index-matched anatomical model are addressed. PIV measurements are presented, which are used to validate concurrent computational fluid dynamics (CFD) simulations of mammalian nasal airflow. Supported by the National Science Foundation.
Fast, Accurate RF Propagation Modeling and Simulation Tool for Highly Cluttered Environments
Kuruganti, Phani Teja
2007-01-01
As network centric warfare and distributed operations paradigms unfold, there is a need for robust, fast wireless network deployment tools. These tools must take into consideration the terrain of the operating theater, and facilitate specific modeling of end to end network performance based on accurate RF propagation predictions. It is well known that empirical models can not provide accurate, site specific predictions of radio channel behavior. In this paper an event-driven wave propagation simulation is proposed as a computationally efficient technique for predicting critical propagation characteristics of RF signals in cluttered environments. Convincing validation and simulator performance studies confirm the suitability of this method for indoor and urban area RF channel modeling. By integrating our RF propagation prediction tool, RCSIM, with popular packetlevel network simulators, we are able to construct an end to end network analysis tool for wireless networks operated in built-up urban areas.
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.
Accurate Path Integration in Continuous Attractor Network Models of Grid Cells
Burak, Yoram; Fiete, Ila R.
2009-01-01
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 ∼10–100 meters and ∼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. PMID:19229307
Wade, E.J.; Stone, R.S.
1959-03-10
Electronic,amplifier circuits, especially a logai-ithmic amplifier characterizxed by its greatly improved strability are discussed. According to the in ention, means are provided to feed bach the output valtagee to a diode in the amplifier input circuit, the diode being utilized to produce the logarithmic characteristics. The diode is tics, The diode isition therewith and having its filament operated from thc same source s the filament of the logarithmic diode. A bias current of relatively large value compareii with the signal current is continuously passed through the compiting dioie to render the diode insensitivy to variations in the signal current. by this odes kdu to variaelled, so that the stability of the amlifier will be unimpaired.
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
Wright, James T.
1986-01-01
A bilateral circuit is operable for transmitting signals in two directions without generation of ringing due to feedback caused by the insertion of the circuit. The circuit may include gain for each of the signals to provide a bidirectional amplifier. The signals are passed through two separate paths, with a unidirectional amplifier in each path. A controlled sampling device is provided in each path for sampling the two signals. Any feedback loop between the two signals is disrupted by providing a phase displacement between the control signals for the two sampling devices.
Wright, J.T.
1984-02-02
A bilateral circuit is operable for transmitting signals in two directions without generation of ringing due to feedback caused by the insertion of the circuit. The circuit may include gain for each of the signals to provide a bidirectional amplifier. The signals are passed through two separate paths, with a unidirectional amplifier in each path. A controlled sampling device is provided in each path for sampling the two signals. Any feedback loop between the two signals is disrupted by providing a phase displacement between the control signals for the two sampling devices.
New models for energy beam machining enable accurate generation of free forms.
Axinte, Dragos; Billingham, John; Bilbao Guillerna, Aitor
2017-09-01
We demonstrate that, despite differences in their nature, many energy beam controlled-depth machining processes (for example, waterjet, pulsed laser, focused ion beam) can be modeled using the same mathematical framework-a partial differential evolution equation that requires only simple calibrations to capture the physics of each process. The inverse problem can be solved efficiently through the numerical solution of the adjoint problem and leads to beam paths that generate prescribed three-dimensional features with minimal error. The viability of this modeling approach has been demonstrated by generating accurate free-form surfaces using three processes that operate at very different length scales and with different physical principles for material removal: waterjet, pulsed laser, and focused ion beam machining. Our approach can be used to accurately machine materials that are hard to process by other means for scalable applications in a wide variety of industries.
New models for energy beam machining enable accurate generation of free forms
Axinte, Dragos; Billingham, John; Bilbao Guillerna, Aitor
2017-01-01
We demonstrate that, despite differences in their nature, many energy beam controlled-depth machining processes (for example, waterjet, pulsed laser, focused ion beam) can be modeled using the same mathematical framework—a partial differential evolution equation that requires only simple calibrations to capture the physics of each process. The inverse problem can be solved efficiently through the numerical solution of the adjoint problem and leads to beam paths that generate prescribed three-dimensional features with minimal error. The viability of this modeling approach has been demonstrated by generating accurate free-form surfaces using three processes that operate at very different length scales and with different physical principles for material removal: waterjet, pulsed laser, and focused ion beam machining. Our approach can be used to accurately machine materials that are hard to process by other means for scalable applications in a wide variety of industries. PMID:28948223
Seth A Veitzer
2008-10-21
Effects of stray electrons are a main factor limiting performance of many accelerators. Because heavy-ion fusion (HIF) accelerators will operate in regimes of higher current and with walls much closer to the beam than accelerators operating today, stray electrons might have a large, detrimental effect on the performance of an HIF accelerator. A primary source of stray electrons is electrons generated when halo ions strike the beam pipe walls. There is some research on these types of secondary electrons for the HIF community to draw upon, but this work is missing one crucial ingredient: the effect of grazing incidence. The overall goal of this project was to develop the numerical tools necessary to accurately model the effect of grazing incidence on the behavior of halo ions in a HIF accelerator, and further, to provide accurate models of heavy ion stopping powers with applications to ICF, WDM, and HEDP experiments.
Accurate prediction of black rot epidemics in vineyards using a weather-driven disease model.
Onesti, Giovanni; González-Domínguez, Elisa; Rossi, Vittorio
2016-12-01
Grapevine black rot caused by Guignardia bidwellii is a serious threat in vineyards, especially in areas with cool and humid springs. A mechanistic, weather-driven model was recently developed for the detailed prediction of black rot epidemics. The aim of this work was to evaluate the model by comparison with observed disease development in leaves and clusters in a vineyard in north Italy from 2013 to 2015. The model accurately predicted disease onset. The probability of predicting new infections that did not occur (i.e. unjustified alarms) was ≤0.180, while the probability of missing actual infections was 0.175 for leaves and 0.263 for clusters. In 78% of these false negative predictions, the difference between expected and actual disease onset was ±2 days; therefore, only one infection period was actually missed by the model. The model slightly overestimated disease severity (mainly on leaves) when the observed disease severity was >0.6. The model was highly accurate and robust in predicting the infection periods and dynamics of black rot epidemics. The model can be used for scheduling fungicide sprays in vineyards. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.
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.
Development of an accurate kinetic model for the central carbon metabolism of Escherichia coli.
Jahan, Nusrat; Maeda, Kazuhiro; Matsuoka, Yu; Sugimoto, Yurie; Kurata, Hiroyuki
2016-06-21
A kinetic model provides insights into the dynamic response of biological systems and predicts how their complex metabolic and gene regulatory networks generate particular functions. Of many biological systems, Escherichia coli metabolic pathways have been modeled extensively at the enzymatic and genetic levels, but existing models cannot accurately reproduce experimental behaviors in a batch culture, due to the inadequate estimation of a specific cell growth rate and a large number of unmeasured parameters. In this study, we developed a detailed kinetic model for the central carbon metabolism of E. coli in a batch culture, which includes the glycolytic pathway, tricarboxylic acid cycle, pentose phosphate pathway, Entner-Doudoroff pathway, anaplerotic pathway, glyoxylate shunt, oxidative phosphorylation, phosphotransferase system (Pts), non-Pts and metabolic gene regulations by four protein transcription factors: cAMP receptor, catabolite repressor/activator, pyruvate dehydrogenase complex repressor and isocitrate lyase regulator. The kinetic parameters were estimated by a constrained optimization method on a supercomputer. The model estimated a specific growth rate based on reaction kinetics and accurately reproduced the dynamics of wild-type E. coli and multiple genetic mutants in a batch culture. This model overcame the intrinsic limitations of existing kinetic models in a batch culture, predicted the effects of multilayer regulations (allosteric effectors and gene expression) on central carbon metabolism and proposed rationally designed fast-growing cells based on understandings of molecular processes.
Li, Rui; Ye, Hongfei; Zhang, Weisheng; Ma, Guojun; Su, Yewang
2015-01-01
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. PMID:26510769
NASA Astrophysics Data System (ADS)
Li, Rui; Ye, Hongfei; Zhang, Weisheng; Ma, Guojun; Su, Yewang
2015-10-01
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.
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.
Impact of an accurate modelling of primordial chemistry in high-resolution studies
NASA Astrophysics Data System (ADS)
Bovino, S.; Grassi, T.; Latif, M. A.; Schleicher, D. R. G.
2013-07-01
The formation of the first stars in the Universe is regulated by a sensitive interplay of chemistry and cooling with the dynamics of a self-gravitating system. As the outcome of the collapse and the final stellar masses depend sensitively on the thermal evolution, it is necessary to accurately model the thermal evolution in high-resolution simulations. As previous investigations raised doubts regarding the convergence of the temperature at high resolution, we investigate the role of the numerical method employed to model the chemistry and the thermodynamics. Here we compare the standard implementation in the adaptive-mesh refinement code ENZO, employing a first-order backward differentiation formula (BDF), with the fifth-order accurate BDF solver DLSODES. While the standard implementation in ENZO shows a strong dependence on the employed resolution, the results obtained with DLSODES are considerably more robust, both with respect to the chemistry and thermodynamics, but also for dynamical quantities such as density, total energy or the accretion rate. We conclude that an accurate modelling of the chemistry and thermodynamics is central for primordial star formation.
NASA Astrophysics Data System (ADS)
Govers, G.; Campforts, B.; Schwanghart, W.
2016-12-01
Landscape evolution models (LEM) allow studying the earth surface response to a changing climatic and tectonic forcing. While much effort has been devoted to the development of LEMs that simulate a wide range of processes, the numerical accuracy of these models has received much less attention. Most LEMs use first order accurate numerical methods that suffer from substantial numerical diffusion. Numerical diffusion particularly affects the solution of the advection equation and thus the simulation of retreating landforms such as cliffs and river knickpoints with potential unquantified consequences for the integrated response of the simulated landscape. Here we present TTLEM, a spatially explicit, raster based LEM for the study of fluvially eroding landscapes in TopoToolbox 2. TTLEM prevents numerical diffusion by implementing a higher order flux limiting total volume method that is total variation diminishing (TVD-TVM) and solves the partial differential equations of river incision and tectonic displacement. We show that the choice of the TVD-TVM to simulate river incision significantly influences the evolution of simulated landscapes and the spatial and temporal variability of catchment wide erosion rates. Furthermore, a 2D TVD-TVM accurately simulates the evolution of landscapes affected by lateral tectonic displacement, a process whose simulation is hitherto largely limited to LEMs with flexible spatial discretization. By providing accurate numerical schemes on rectangular grids, TTLEM is a widely accessible LEM that is compatible with GIS analysis functions from the TopoToolbox interface. The model code can be downloaded at: https://github.com/wschwanghart/topotoolbox
Accurate and efficient halo-based galaxy clustering modelling with simulations
NASA Astrophysics Data System (ADS)
Zheng, Zheng; Guo, Hong
2016-06-01
Small- and intermediate-scale galaxy clustering can be used to establish the galaxy-halo connection to study galaxy formation and evolution and to tighten constraints on cosmological parameters. With the increasing precision of galaxy clustering measurements from ongoing and forthcoming large galaxy surveys, accurate models are required to interpret the data and extract relevant information. We introduce a method based on high-resolution N-body simulations to accurately and efficiently model the galaxy two-point correlation functions (2PCFs) in projected and redshift spaces. The basic idea is to tabulate all information of haloes in the simulations necessary for computing the galaxy 2PCFs within the framework of halo occupation distribution or conditional luminosity function. It is equivalent to populating galaxies to dark matter haloes and using the mock 2PCF measurements as the model predictions. Besides the accurate 2PCF calculations, the method is also fast and therefore enables an efficient exploration of the parameter space. As an example of the method, we decompose the redshift-space galaxy 2PCF into different components based on the type of galaxy pairs and show the redshift-space distortion effect in each component. The generalizations and limitations of the method are discussed.
Monte Carlo modeling provides accurate calibration factors for radionuclide activity meters.
Zagni, F; Cicoria, G; Lucconi, G; Infantino, A; Lodi, F; Marengo, M
2014-12-01
Accurate determination of calibration factors for radionuclide activity meters is crucial for quantitative studies and in the optimization step of radiation protection, as these detectors are widespread in radiopharmacy and nuclear medicine facilities. In this work we developed the Monte Carlo model of a widely used activity meter, using the Geant4 simulation toolkit. More precisely the "PENELOPE" EM physics models were employed. The model was validated by means of several certified sources, traceable to primary activity standards, and other sources locally standardized with spectrometry measurements, plus other experimental tests. Great care was taken in order to accurately reproduce the geometrical details of the gas chamber and the activity sources, each of which is different in shape and enclosed in a unique container. Both relative calibration factors and ionization current obtained with simulations were compared against experimental measurements; further tests were carried out, such as the comparison of the relative response of the chamber for a source placed at different positions. The results showed a satisfactory level of accuracy in the energy range of interest, with the discrepancies lower than 4% for all the tested parameters. This shows that an accurate Monte Carlo modeling of this type of detector is feasible using the low-energy physics models embedded in Geant4. The obtained Monte Carlo model establishes a powerful tool for first instance determination of new calibration factors for non-standard radionuclides, for custom containers, when a reference source is not available. Moreover, the model provides an experimental setup for further research and optimization with regards to materials and geometrical details of the measuring setup, such as the ionization chamber itself or the containers configuration. Copyright © 2014 Elsevier Ltd. All rights reserved.
5D model for accurate representation and visualization of dynamic cardiac structures
NASA Astrophysics Data System (ADS)
Lin, Wei-te; Robb, Richard A.
2000-05-01
Accurate cardiac modeling is challenging due to the intricate structure and complex contraction patterns of myocardial tissues. Fast imaging techniques can provide 4D structural information acquired as a sequence of 3D images throughout the cardiac cycle. To mode. The beating heart, we created a physics-based surface model that deforms between successive time point in the cardiac cycle. 3D images of canine hearts were acquired during one complete cardiac cycle using the DSR and the EBCT. The left ventricle of the first time point is reconstructed as a triangular mesh. A mass-spring physics-based deformable mode,, which can expand and shrink with local contraction and stretching forces distributed in an anatomically accurate simulation of cardiac motion, is applied to the initial mesh and allows the initial mesh to deform to fit the left ventricle in successive time increments of the sequence. The resulting 4D model can be interactively transformed and displayed with associated regional electrical activity mapped onto anatomic surfaces, producing a 5D model, which faithfully exhibits regional cardiac contraction and relaxation patterns over the entire heart. The model faithfully represents structural changes throughout the cardiac cycle. Such models provide the framework for minimizing the number of time points required to usefully depict regional motion of myocardium and allow quantitative assessment of regional myocardial motion. The electrical activation mapping provides spatial and temporal correlation within the cardiac cycle. In procedures which as intra-cardiac catheter ablation, visualization of the dynamic model can be used to accurately localize the foci of myocardial arrhythmias and guide positioning of catheters for optimal ablation.
Using a highly accurate self-stop Cu-CMP model in the design flow
NASA Astrophysics Data System (ADS)
Izuha, Kyoko; Sakairi, Takashi; Shibuki, Shunichi; Bora, Monalisa; Hatem, Osama; Ghulghazaryan, Ruben; Strecker, Norbert; Wilson, Jeff; Takeshita, Noritsugu
2010-03-01
An accurate model for the self-stop copper chemical mechanical polishing (Cu-CMP) process has been developed using CMP modeling technology from Mentor Graphics. This technology was applied on data from Sony to create and optimize copper electroplating (ECD), Cu-CMP, and barrier metal polishing (BM-CMP) process models. These models take into account layout pattern dependency, long range diffusion and planarization effects, as well as microloading from local pattern density. The developed ECD model accurately predicted erosion and dishing over the entire range of width and space combinations present on the test chip. Then, the results of the ECD model were used as an initial structure to model the Cu-CMP step. Subsequently, the result of Cu-CMP was used for the BM-CMP model creation. The created model was successful in reproducing the measured data, including trends for a broad range of metal width and densities. Its robustness is demonstrated by the fact that it gives acceptable prediction of final copper thickness data although the calibration data included noise from line scan measurements. Accuracy of the Cu-CMP model has a great impact on the prediction results for BM-CMP. This is a critical feature for the modeling of high precision CMP such as self-stop Cu-CMP. Finally, the developed model could successfully extract planarity hotspots that helped identify potential problems in production chips before they were manufactured. The output thickness values of metal and dielectric can be used to drive layout enhancement tools and improve the accuracy of timing analysis.
ERIC Educational Resources Information Center
Prince, Katherine; Woempner, Carolyn
2010-01-01
This brief examines the policy implications of two drivers of change presented in the "2020 Forecast: Creating the Future of Learning"-- Pattern Recognition and Amplified Organization. These drivers point toward a series of cultural shifts and illuminate how we are developing new ways of organizing, constructing, and managing knowledge.…
Coarse-grained red blood cell model with accurate mechanical properties, rheology and dynamics.
Fedosov, Dmitry A; Caswell, Bruce; Karniadakis, George E
2009-01-01
We present a coarse-grained red blood cell (RBC) model with accurate and realistic mechanical properties, rheology and dynamics. The modeled membrane is represented by a triangular mesh which incorporates shear inplane energy, bending energy, and area and volume conservation constraints. The macroscopic membrane elastic properties are imposed through semi-analytic theory, and are matched with those obtained in optical tweezers stretching experiments. Rheological measurements characterized by time-dependent complex modulus are extracted from the membrane thermal fluctuations, and compared with those obtained from the optical magnetic twisting cytometry results. The results allow us to define a meaningful characteristic time of the membrane. The dynamics of RBCs observed in shear flow suggests that a purely elastic model for the RBC membrane is not appropriate, and therefore a viscoelastic model is required. The set of proposed analyses and numerical tests can be used as a complete model testbed in order to calibrate the modeled viscoelastic membranes to accurately represent RBCs in health and disease.
Accurate modelling of the elastic behavior of a continuum with the Discrete Element Method
NASA Astrophysics Data System (ADS)
Celigueta, M. A.; Latorre, S.; Arrufat, F.; Oñate, E.
2017-08-01
The Discrete Element Method (DEM) has been used for modelling continua, like concrete or rocks. However, it requires a big calibration effort, even to capture just the linear elastic behavior of a continuum modelled via the classical force-displacement relationships at the contact interfaces between particles. In this work we propose a new way for computing the contact forces between discrete particles. The newly proposed forces take into account the surroundings of the contact, not just the contact itself. This brings in the missing terms that provide an accurate approximation to an elastic continuum, and avoids calibration of the DEM parameters for the purely linear elastic range.
Guggenheim, James A; Bargigia, Ilaria; Farina, Andrea; Pifferi, Antonio; Dehghani, Hamid
2016-09-01
A novel straightforward, accessible and efficient approach is presented for performing hyperspectral time-domain diffuse optical spectroscopy to determine the optical properties of samples accurately using geometry specific models. To allow bulk parameter recovery from measured spectra, a set of libraries based on a numerical model of the domain being investigated is developed as opposed to the conventional approach of using an analytical semi-infinite slab approximation, which is known and shown to introduce boundary effects. Results demonstrate that the method improves the accuracy of derived spectrally varying optical properties over the use of the semi-infinite approximation.
Guggenheim, James A.; Bargigia, Ilaria; Farina, Andrea; Pifferi, Antonio; Dehghani, Hamid
2016-01-01
A novel straightforward, accessible and efficient approach is presented for performing hyperspectral time-domain diffuse optical spectroscopy to determine the optical properties of samples accurately using geometry specific models. To allow bulk parameter recovery from measured spectra, a set of libraries based on a numerical model of the domain being investigated is developed as opposed to the conventional approach of using an analytical semi-infinite slab approximation, which is known and shown to introduce boundary effects. Results demonstrate that the method improves the accuracy of derived spectrally varying optical properties over the use of the semi-infinite approximation. PMID:27699137
Body charge modelling for accurate simulation of small-signal behaviour in floating body SOI
NASA Astrophysics Data System (ADS)
Benson, James; Redman-White, William; D'Halleweyn, Nele V.; Easson, Craig A.; Uren, Michael J.
2002-04-01
We show that careful modelling of body node elements in floating body PD-SOI MOSFET compact models is required in order to obtain accurate small-signal simulation results in the saturation region. The body network modifies the saturation output conductance of the device via the body-source transconductance, resulting in a pole/zero pair being introduced in the conductance-frequency response. We show that neglecting the presence of body charge in the saturation region can often yield inaccurate values for the body capacitances, which in turn can adversely affect the modelling of the output conductance above the pole/zero frequency. We conclude that the underlying cause of this problem is the use of separate models for the intrinsic and extrinsic capacitances. Finally, we present a simple saturation body charge model which can greatly improve small-signal simulation accuracy for floating body devices.
Casas, F J; Pascual, J P; de la Fuente, M L; Artal, E; Portilla, J
2010-07-01
This paper describes a comparative nonlinear analysis of low-noise amplifiers (LNAs) under different stimuli for use in astronomical applications. Wide-band Gaussian-noise input signals, together with the high values of gain required, make that figures of merit, such as the 1 dB compression (1 dBc) point of amplifiers, become crucial in the design process of radiometric receivers in order to guarantee the linearity in their nominal operation. The typical method to obtain the 1 dBc point is by using single-tone excitation signals to get the nonlinear amplitude to amplitude (AM-AM) characteristic but, as will be shown in the paper, in radiometers, the nature of the wide-band Gaussian-noise excitation signals makes the amplifiers present higher nonlinearity than when using single tone excitation signals. Therefore, in order to analyze the suitability of the LNA's nominal operation, the 1 dBc point has to be obtained, but using realistic excitation signals. In this work, an analytical study of compression effects in amplifiers due to excitation signals composed of several tones is reported. Moreover, LNA nonlinear characteristics, as AM-AM, total distortion, and power to distortion ratio, have been obtained by simulation and measurement with wide-band Gaussian-noise excitation signals. This kind of signal can be considered as a limit case of a multitone signal, when the number of tones is very high. The work is illustrated by means of the extraction of realistic nonlinear characteristics, through simulation and measurement, of a 31 GHz back-end module LNA used in the radiometer of the QUIJOTE (Q U I JOint TEnerife) CMB experiment.
Li, Fangzheng; Liu, Chunying; Song, Xuexiong; Huan, Yanjun; Gao, Shansong; Jiang, Zhongling
2017-09-15
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 fifth rib, and the sixth cervical (C6) vertebra were used to produce digital models. These were then used to produce 1:1 scale physical models with the FDM printer. The anatomical features of the digital models and three-dimensional (3D) printed models were then compared with those of the original skeletal specimens. The results of this study demonstrated that both digital and physical scale models of animal skeletal components could be rapidly produced using 3D printing technology. In terms of accuracy between models and original specimens, the standard deviations of the femur and the fifth rib measurements were 0.0351 and 0.0572, respectively. All of the features except the nutrient foramina on the original bone specimens could be identified in the digital and 3D printed models. Moreover, the 3D printed models could serve as a viable alternative to original bone specimens when used in anatomy education, as determined from student surveys. This study demonstrated an important example of reproducing bone models to be used in anatomy education and veterinary clinical training. Anat Sci Educ. © 2017 American Association of Anatomists. © 2017 American Association of Anatomists.
NASA Astrophysics Data System (ADS)
Mead, A. J.; Heymans, C.; Lombriser, L.; Peacock, J. A.; Steele, O. I.; Winther, H. A.
2016-06-01
We present an accurate non-linear matter power spectrum prediction scheme for a variety of extensions to the standard cosmological paradigm, which uses the tuned halo model previously developed in Mead et al. We consider dark energy models that are both minimally and non-minimally coupled, massive neutrinos and modified gravitational forces with chameleon and Vainshtein screening mechanisms. In all cases, we compare halo-model power spectra to measurements from high-resolution simulations. We show that the tuned halo-model method can predict the non-linear matter power spectrum measured from simulations of parametrized w(a) dark energy models at the few per cent level for k < 10 h Mpc-1, and we present theoretically motivated extensions to cover non-minimally coupled scalar fields, massive neutrinos and Vainshtein screened modified gravity models that result in few per cent accurate power spectra for k < 10 h Mpc-1. For chameleon screened models, we achieve only 10 per cent accuracy for the same range of scales. Finally, we use our halo model to investigate degeneracies between different extensions to the standard cosmological model, finding that the impact of baryonic feedback on the non-linear matter power spectrum can be considered independently of modified gravity or massive neutrino extensions. In contrast, considering the impact of modified gravity and massive neutrinos independently results in biased estimates of power at the level of 5 per cent at scales k > 0.5 h Mpc-1. An updated version of our publicly available HMCODE can be found at https://github.com/alexander-mead/hmcode.
Accurate prediction of wall shear stress in a stented artery: newtonian versus non-newtonian models.
Mejia, Juan; Mongrain, Rosaire; Bertrand, Olivier F
2011-07-01
A significant amount of evidence linking wall shear stress to neointimal hyperplasia has been reported in the literature. As a result, numerical and experimental models have been created to study the influence of stent design on wall shear stress. Traditionally, blood has been assumed to behave as a Newtonian fluid, but recently that assumption has been challenged. The use of a linear model; however, can reduce computational cost, and allow the use of Newtonian fluids (e.g., glycerine and water) instead of a blood analog fluid in an experimental setup. Therefore, it is of interest whether a linear model can be used to accurately predict the wall shear stress caused by a non-Newtonian fluid such as blood within a stented arterial segment. The present work compares the resulting wall shear stress obtained using two linear and one nonlinear model under the same flow waveform. All numerical models are fully three-dimensional, transient, and incorporate a realistic stent geometry. It is shown that traditional linear models (based on blood's lowest viscosity limit, 3.5 Pa s) underestimate the wall shear stress within a stented arterial segment, which can lead to an overestimation of the risk of restenosis. The second linear model, which uses a characteristic viscosity (based on an average strain rate, 4.7 Pa s), results in higher wall shear stress levels, but which are still substantially below those of the nonlinear model. It is therefore shown that nonlinear models result in more accurate predictions of wall shear stress within a stented arterial segment.
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.
Accurate modeling of switched reluctance machine based on hybrid trained WNN
NASA Astrophysics Data System (ADS)
Song, Shoujun; Ge, Lefei; Ma, Shaojie; Zhang, Man
2014-04-01
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, the 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.
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
Accurate modeling of switched reluctance machine based on hybrid trained WNN
Song, Shoujun Ge, Lefei; Ma, Shaojie; Zhang, Man
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, the 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.
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
BEYOND ELLIPSE(S): ACCURATELY MODELING THE ISOPHOTAL STRUCTURE OF GALAXIES WITH ISOFIT AND CMODEL
Ciambur, B. C.
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, 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.
Beyond Ellipse(s): Accurately Modelling the Isophotal Structure of Galaxies with ISOFIT and CMODEL
NASA Astrophysics Data System (ADS)
Ciambur, B. C.
2015-09-01
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, 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.
A Method for Accurate in silico modeling of Ultrasound Transducer Arrays
Guenther, Drake A.; Walker, William F.
2009-01-01
This paper presents a new approach to improve the in silico modeling of ultrasound transducer arrays. While current simulation tools accurately predict the theoretical element spatio-temporal pressure response, transducers do not always behave as theorized. In practice, using the probe's physical dimensions and published specifications in silico, often results in unsatisfactory agreement between simulation and experiment. We describe a general optimization procedure used to maximize the correlation between the observed and simulated spatio-temporal response of a pulsed single element in a commercial ultrasound probe. A linear systems approach is employed to model element angular sensitivity, lens effects, and diffraction phenomena. A numerical deconvolution method is described to characterize the intrinsic electro-mechanical impulse response of the element. Once the response of the element and optimal element characteristics are known, prediction of the pressure response for arbitrary apertures and excitation signals is performed through direct convolution using available tools. We achieve a correlation of 0.846 between the experimental emitted waveform and simulated waveform when using the probe's physical specifications in silico. A far superior correlation of 0.988 is achieved when using the optimized in silico model. Electronic noise appears to be the main effect preventing the realization of higher correlation coefficients. More accurate in silico modeling will improve the evaluation and design of ultrasound transducers as well as aid in the development of sophisticated beamforming strategies. PMID:19041997
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 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
Beekhuizen, Johan; Kromhout, Hans; Bürgi, Alfred; Huss, Anke; Vermeulen, Roel
2015-01-01
The increase in mobile communication technology has led to concern about potential health effects of radio frequency electromagnetic fields (RF-EMFs) from mobile phone base stations. Different RF-EMF prediction models have been applied to assess population exposure to RF-EMF. Our study examines what input data are needed to accurately model RF-EMF, as detailed data are not always available for epidemiological studies. We used NISMap, a 3D radio wave propagation model, to test models with various levels of detail in building and antenna input data. The model outcomes were compared with outdoor measurements taken in Amsterdam, the Netherlands. Results showed good agreement between modelled and measured RF-EMF when 3D building data and basic antenna information (location, height, frequency and direction) were used: Spearman correlations were >0.6. Model performance was not sensitive to changes in building damping parameters. Antenna-specific information about down-tilt, type and output power did not significantly improve model performance compared with using average down-tilt and power values, or assuming one standard antenna type. We conclude that 3D radio wave propagation modelling is a feasible approach to predict outdoor RF-EMF levels for ranking exposure levels in epidemiological studies, when 3D building data and information on the antenna height, frequency, location and direction are available.
Optimized phase field models in confinement: fast and accurate simulations of directed self-assembly
NASA Astrophysics Data System (ADS)
Liu, Jimmy; Delaney, Kris T.; Fredrickson, Glenn H.
2017-03-01
To design processes that effectively use polymer directed self-assembly, we would like to have a complete picture of stable and defective polymer configurations. Field-theoretic simulations are an effective way to gain knowledge about these configurations and predict defect populations: we can easily vary design parameters such as prepattern dimensions, wetting conditions and polymer composition/architecture and observe their effects on pattern formation. We previously showed that an optimized phase field model, a modification of the Ohta-Kawasaki model, is more accurate at predicting domain spacing and defect formation in bulk systems. This accuracy is achieved by a systematic mapping procedure that optimizes parameters in the model using inexpensive, low-dimensional selfconsistent field theory (SCFT) calculations. We now make two improvements to the model. First, we implement a conjugate gradient method, a more efficient numerical solver for phase field models not available to SCFT, and characterize its performance. We find that an optimized phase field model simulation requires one to two orders of magnitude less computation time than an SCFT simulation of the same system. Second, we extend our model to confined templates and demonstrate that the new model does not suffer from the nonphysical behavior found in other phase field models in the presence of confining walls.
A Fast and Accurate Scheme for Sea Ice Dynamics with a Stochastic Subgrid Model
NASA Astrophysics Data System (ADS)
Seinen, C.; Khouider, B.
2016-12-01
Sea ice physics is a very complex process occurring over a wide range of scales; such as local melting or large scale drift. At the current grid resolution of Global Climate Models (GCMs), we are able to resolve large scale sea ice dynamics but uncertainty remains due to subgrid physics and potential dynamic feedback, especially due to the formation of melt ponds. Recent work in atmospheric science has shown success of Markov Jump stochastic subgrid models in the representation of clouds and convection and their feedback into the large scales. There has been a push to implement these methods in other parts of the Earth System and for the cryosphere in particular but in order to test these methods, efficient and accurate solvers are required for the resolved large scale sea-ice dynamics. We present a second order accurate scheme, in both time and space, for the sea ice momentum equation (SIME) with a Jacobian Free Newton Krylov (JFNK) solver. SIME is a highly nonlinear equation due to sea ice rheology terms appearing in the stress tensor. The most commonly accepted formulation, introduced by Hibler, allows sea-ice to resist significant stresses in compression but significantly less in tension. The relationship also leads to large changes in internal stresses from small changes in velocity fields. These non-linearities have resulted in the use of implicit methods for SIME and a JFNK solver was recently introduced and used to gain efficiency. However, the method used so far is only first order accurate in time. Here we expand the JFNK approach to a Crank-Nicholson discretization of SIME. This fully second order scheme is achieved with no increase in computational cost and will allow efficient testing and development of subgrid stochastic models of sea ice in the near future.
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.
A new, accurate and easy to implement camera and video projector model.
Hoppe, Harald; Däuber, Sascha; Kübler, Carsten; Raczkowsky, Jörg; Wörn, Heinz
2002-01-01
In 2000, the Institute for Process Control and Robotics/Universität Karlsruhe (TH) has developed a prototype system for projector based augmented reality consisting of a state-of-the-art PC, two CCD cameras and a video projector which is used for registration and projection of surgical planning data. Tracking, registration as well as projection require an accurate calibration process for cameras and video projectors. We have developed a new, flexible, plain and easy to implement model, which can both be used for calibration of cameras and video projectors.
Accurate verification of the conserved-vector-current and standard-model predictions
Sirlin, A.; Zucchini, R.
1986-10-20
An approximate analytic calculation of O(Z..cap alpha../sup 2/) corrections to Fermi decays is presented. When the analysis of Koslowsky et al. is modified to take into account the new results, it is found that each of the eight accurately studied scrFt values differs from the average by approx. <1sigma, thus significantly improving the comparison of experiments with conserved-vector-current predictions. The new scrFt values are lower than before, which also brings experiments into very good agreement with the three-generation standard model, at the level of its quantum corrections.
NASA Astrophysics Data System (ADS)
Banks, Sheila B.; Stytz, Martin R.
1997-07-01
This paper describes the development of an accurate airbase sortie generation capability for inclusion within military training distributed virtual environments (DVEs). Current training military DVEs lack appropriate modeling of airbase logistics and, therefore, the corresponding sortie generation model incorrectly portrays an airbase's wartime operational capabilities. As a result, DVE training participants, at both the command and staff level, develop expectations that are not realized in a real world environment and actually receive negative training. The airbase logistics system (ALS) provides accurate sortie generation capabilities by the incorporation of an existing constructive airbase logistics model, CWTSAR, into distributed interactive simulation (DIS) based military training DVEs. The airbase logistics system integrates CWTSAR with an object-oriented run-time data repository [the common object database (CODB)], the modular semi-autonomous forces' (ModSAF) network utilities, and the command and control simulation interface language (CCSIL) for communication between the ALS and other DIS-compatible systems in the DVE. The paper provides details on the sortie generation capability of ALS and its necessary interface utilities. The planned future development efforts to overcome shortfalls within ALS are also addressed within this paper.
NASA Astrophysics Data System (ADS)
Rumple, C.; Richter, J.; Craven, B. A.; Krane, M.
2012-11-01
A summary of the research being carried out by our multidisciplinary team to better understand the form and function of the nose in different mammalian species that include humans, carnivores, ungulates, rodents, and marine animals will be presented. The mammalian nose houses a convoluted airway labyrinth, where two hallmark features of mammals occur, endothermy and olfaction. Because of the complexity of the nasal cavity, the anatomy and function of these upper airways remain poorly understood in most mammals. However, recent advances in high-resolution medical imaging, computational modeling, and experimental flow measurement techniques are now permitting the study of airflow and respiratory and olfactory transport phenomena in anatomically-accurate reconstructions of the nasal cavity. Here, we focus on efforts to manufacture transparent, anatomically-accurate models for stereo particle image velocimetry (SPIV) measurements of nasal airflow. Challenges in the design and manufacture of index-matched anatomical models are addressed and preliminary SPIV measurements are presented. Such measurements will constitute a validation database for concurrent computational fluid dynamics (CFD) simulations of mammalian respiration and olfaction. Supported by the National Science Foundation.
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)
Campforts, Benjamin; Schwanghart, Wolfgang; Govers, Gerard
2017-01-01
Landscape evolution models (LEMs) allow the study of earth surface responses to changing climatic and tectonic forcings. While much effort has been devoted to the development of LEMs that simulate a wide range of processes, the numerical accuracy of these models has received less attention. Most LEMs use first-order accurate numerical methods that suffer from substantial numerical diffusion. Numerical diffusion particularly affects the solution of the advection equation and thus the simulation of retreating landforms such as cliffs and river knickpoints. This has potential consequences for the integrated response of the simulated landscape. Here we test a higher-order flux-limiting finite volume method that is total variation diminishing (TVD-FVM) to solve the partial differential equations of river incision and tectonic displacement. We show that using the TVD-FVM to simulate river incision significantly influences the evolution of simulated landscapes and the spatial and temporal variability of catchment-wide erosion rates. Furthermore, a two-dimensional TVD-FVM accurately simulates the evolution of landscapes affected by lateral tectonic displacement, a process whose simulation was hitherto largely limited to LEMs with flexible spatial discretization. We implement the scheme in TTLEM (TopoToolbox Landscape Evolution Model), a spatially explicit, raster-based LEM for the study of fluvially eroding landscapes in TopoToolbox 2.
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
Double cluster heads model for secure and accurate data fusion in wireless sensor networks.
Fu, Jun-Song; Liu, Yun
2015-01-19
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.
Accurate method for including solid-fluid boundary interactions in mesoscopic model fluids
Berkenbos, A. Lowe, C.P.
2008-04-20
Particle models are attractive methods for simulating the dynamics of complex mesoscopic fluids. Many practical applications of this methodology involve flow through a solid geometry. As the system is modeled using particles whose positions move continuously in space, one might expect that implementing the correct stick boundary condition exactly at the solid-fluid interface is straightforward. After all, unlike discrete methods there is no mapping onto a grid to contend with. In this article we describe a method that, for axisymmetric flows, imposes both the no-slip condition and continuity of stress at the interface. We show that the new method then accurately reproduces correct hydrodynamic behavior right up to the location of the interface. As such, computed flow profiles are correct even using a relatively small number of particles to model the fluid.
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.
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
Can a Global Model Accurately Simulate Land-Atmosphere Interactions under Climate Change Conditions?
NASA Astrophysics Data System (ADS)
Zhou, C., VI; Wang, K.
2015-12-01
Surface air temperature (Ta) is largely determined by surface net radiation (Rn) and its partitioning into latent (LE) and sensible heat fluxes (H). Existing model evaluations of the absolute values of these fluxes are less helpful because the evaluation results are a blending of inconsistent spatial scales, inaccurate model forcing data and inaccurate parameterizations. This study further evaluates the relationship of LE and H with Rn and environmental parameters, including Ta, relative humidity (RH) and wind speed (WS), using ERA-interim reanalysis data at a grid of 0.125°×0.125° with measurements at AmeriFlux sites from 1998 to 2012. The results demonstrate that ERA-Interim can reproduce the absolute values of environmental parameters, radiation and turbulent fluxes rather accurately. The model performs well in simulating the correlation of LE and H to Rn, except for the notable correlation overestimation of H against Rn over high-density vegetation (e.g., deciduous broadleaf forest (DBF), grassland (GRA) and cropland (CRO)). The sensitivity of LE to Rn in the model is similar to the observations, but that of H to Rn is overestimated by 24.2%. In regions with high-density vegetation, the correlation coefficient between H and Ta is overestimated by more than 0.2, whereas that between H and WS is underestimated by more than 0.43. The sensitivity of H to Ta is overestimated by 0.72 Wm-2 °C-1, whereas that of H to WS in the model is underestimated by 16.15 Wm-2/(ms-1) over all of the sites. Considering both LE and H, the model cannot accurately capture the response of the evaporative fraction (EF=LE/(LE+H)) to Rn and the environmental parameters.
Digitalized accurate modeling of SPCB with multi-spiral surface based on CPC algorithm
NASA Astrophysics Data System (ADS)
Huang, Yanhua; Gu, Lizhi
2015-09-01
The main methods of the existing multi-spiral surface geometry modeling include spatial analytic geometry algorithms, graphical method, interpolation and approximation algorithms. However, there are some shortcomings in these modeling methods, such as large amount of calculation, complex process, visible errors, and so on. The above methods have, to some extent, restricted the design and manufacture of the premium and high-precision products with spiral surface considerably. This paper introduces the concepts of the spatially parallel coupling with multi-spiral surface and spatially parallel coupling body. The typical geometry and topological features of each spiral surface forming the multi-spiral surface body are determined, by using the extraction principle of datum point cluster, the algorithm of coupling point cluster by removing singular point, and the "spatially parallel coupling" principle based on the non-uniform B-spline for each spiral surface. The orientation and quantitative relationships of datum point cluster and coupling point cluster in Euclidean space are determined accurately and in digital description and expression, coupling coalescence of the surfaces with multi-coupling point clusters under the Pro/E environment. The digitally accurate modeling of spatially parallel coupling body with multi-spiral surface is realized. The smooth and fairing processing is done to the three-blade end-milling cutter's end section area by applying the principle of spatially parallel coupling with multi-spiral surface, and the alternative entity model is processed in the four axis machining center after the end mill is disposed. And the algorithm is verified and then applied effectively to the transition area among the multi-spiral surface. The proposed model and algorithms may be used in design and manufacture of the multi-spiral surface body products, as well as in solving essentially the problems of considerable modeling errors in computer graphics and
Quinci, Federico; Dressler, Matthew; Strickland, Anthony M; Limbert, Georges
2014-04-01
Considerable progress has been made in understanding implant wear and developing numerical models to predict wear for new orthopaedic devices. However any model of wear could be improved through a more accurate representation of the biomaterial mechanics, including time-varying dynamic and inelastic behaviour such as viscosity and plastic deformation. In particular, most computational models of wear of UHMWPE implement a time-invariant version of Archard's law that links the volume of worn material to the contact pressure between the metal implant and the polymeric tibial insert. During in-vivo conditions, however, the contact area is a time-varying quantity and is therefore dependent upon the dynamic deformation response of the material. From this observation one can conclude that creep deformations of UHMWPE may be very important to consider when conducting computational wear analyses, in stark contrast to what can be found in the literature. In this study, different numerical modelling techniques are compared with experimental creep testing on a unicondylar knee replacement system in a physiologically representative context. Linear elastic, plastic and time-varying visco-dynamic models are benchmarked using literature data to predict contact deformations, pressures and areas. The aim of this study is to elucidate the contributions of viscoelastic and plastic effects on these surface quantities. It is concluded that creep deformations have a significant effect on the contact pressure measured (experiment) and calculated (computational models) at the surface of the UHMWPE unicondylar insert. The use of a purely elastoplastic constitutive model for UHMWPE lead to compressive deformations of the insert which are much smaller than those predicted by a creep-capturing viscoelastic model (and those measured experimentally). This shows again the importance of including creep behaviour into a constitutive model in order to predict the right level of surface deformation
Carlsten, B.E.; Fazio, M.V.; Faehl, R.J.; Kwan, T.J.; Rickel, D.G.; Stringfield, R.M.
1992-01-01
We discuss basic Relativistic Klystron Amplifier physics. We show that in the intense space-charge regime the maximum power extraction does not coincide with the maximum harmonic bunching. In addition, we show that as the beam is bunched, the additional power stored in the Coulomb fields does not add significantly to the overall power extraction. Because of these effects, the power extraction at 1.3 GHz for a 500 kV, 5 kA beam with reasonable beam-to-wall spacing is limited to around 35%. 3 refs., 17 figs.
In Vitro and In Vivo Activity of Lucitanib in FGFR1/2 Amplified or Mutated Cancer Models.
Guffanti, Federica; Chilà, Rosaria; Bello, Ezia; Zucchetti, Massimo; Zangarini, Monique; Ceriani, Laura; Ferrari, Mariella; Lupi, Monica; Jacquet-Bescond, Anne; Burbridge, Mike F; Pierrat, Marie-Jeanne; Damia, Giovanna
2017-01-01
The fibroblast growth factor receptor (FGFR) pathway has been implicated both as an escape mechanism from anti-angiogenic therapy and as a driver oncogene in different tumor types. Lucitanib is a small molecule inhibitor of vascular endothelial growth factor (VEGF) receptors 1 to 3 (VEGFR1 to 3), platelet derived growth factor α/β (PDGFRα/β) and FGFR1-3 tyrosine kinases and has demonstrated activity in a phase I/II clinical study, with objective RECIST responses in breast cancer patients with FGFR1 or FGF3/4/19 gene amplification, as well as in patients anticipated to benefit from anti-angiogenic agents. We report here the in vitro and in vivo antitumor activity of lucitanib in experimental models with or without FGFR1/2 amplification or mutations. In cell assays, lucitanib potently inhibited the growth of tumor cell lines with amplified FGFR1 or mutated/amplified FGFR2. In all xenograft models studied, lucitanib demonstrated marked tumor growth inhibition due to potent inhibition of angiogenesis. Notably, in two lung cancer models with FGFR1 amplification, the antitumor efficacy was higher, suggesting that the simultaneous inhibition of VEGF and FGF receptors in FGFR1 dependent tumors can be therapeutically advantageous. Similar antitumor activity was observed in FGFR2 wild-type and amplified or mutated xenograft models. Pharmacokinetic studies showed lucitanib plasma concentrations in the micro/sub-micromolar range demonstrated drug accumulation following repeated lucitanib administration. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.
Shen, Jiajian; Tryggestad, Erik; Younkin, James E; Keole, Sameer R; Furutani, Keith M; Kang, Yixiu; Herman, Michael G; Bues, Martin
2017-08-04
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 (TBDT ) were compared with the BDTs recorded in the treatment delivery log files (TLog ): ∆t = TLog -TBDT . 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 provide
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
Algal productivity modeling: a step toward accurate assessments of full-scale algal cultivation.
Béchet, Quentin; Chambonnière, Paul; Shilton, Andy; Guizard, Guillaume; Guieysse, Benoit
2015-05-01
A new biomass productivity model was parameterized for Chlorella vulgaris using short-term (<30 min) oxygen productivities from algal microcosms exposed to 6 light intensities (20-420 W/m(2)) and 6 temperatures (5-42 °C). The model was then validated against experimental biomass productivities recorded in bench-scale photobioreactors operated under 4 light intensities (30.6-74.3 W/m(2)) and 4 temperatures (10-30 °C), yielding an accuracy of ± 15% over 163 days of cultivation. This modeling approach addresses major challenges associated with the accurate prediction of algal productivity at full-scale. Firstly, while most prior modeling approaches have only considered the impact of light intensity on algal productivity, the model herein validated also accounts for the critical impact of temperature. Secondly, this study validates a theoretical approach to convert short-term oxygen productivities into long-term biomass productivities. Thirdly, the experimental methodology used has the practical advantage of only requiring one day of experimental work for complete model parameterization. The validation of this new modeling approach is therefore an important step for refining feasibility assessments of algae biotechnologies.
Development of an accurate 3D Monte Carlo broadband atmospheric radiative transfer model
NASA Astrophysics Data System (ADS)
Jones, Alexandra L.
Radiation is the ultimate source of energy that drives our weather and climate. It is also the fundamental quantity detected by satellite sensors from which earth's properties are inferred. Radiative energy from the sun and emitted from the earth and atmosphere is redistributed by clouds in one of their most important roles in the atmosphere. Without accurately representing these interactions we greatly decrease our ability to successfully predict climate change, weather patterns, and to observe our environment from space. The remote sensing algorithms and dynamic models used to study and observe earth's atmosphere all parameterize radiative transfer with approximations that reduce or neglect horizontal variation of the radiation field, even in the presence of clouds. Despite having complete knowledge of the underlying physics at work, these approximations persist due to perceived computational expense. In the current context of high resolution modeling and remote sensing observations of clouds, from shallow cumulus to deep convective clouds, and given our ever advancing technological capabilities, these approximations have been exposed as inappropriate in many situations. This presents a need for accurate 3D spectral and broadband radiative transfer models to provide bounds on the interactions between clouds and radiation to judge the accuracy of similar but less expensive models and to aid in new parameterizations that take into account 3D effects when coupled to dynamic models of the atmosphere. Developing such a state of the art model based on the open source, object-oriented framework of the I3RC Monte Carlo Community Radiative Transfer ("IMC-original") Model is the task at hand. It has involved incorporating (1) thermal emission sources of radiation ("IMC+emission model"), allowing it to address remote sensing problems involving scattering of light emitted at earthly temperatures as well as spectral cooling rates, (2) spectral integration across an arbitrary
NASA Technical Reports Server (NTRS)
Kopasakis, George
2014-01-01
The presentation covers a recently developed methodology to model atmospheric turbulence as disturbances for aero vehicle gust loads and for controls development like flutter and inlet shock position. The approach models atmospheric turbulence in their natural fractional order form, which provides for more accuracy compared to traditional methods like the Dryden model, especially for high speed vehicle. The presentation provides a historical background on atmospheric turbulence modeling and the approaches utilized for air vehicles. This is followed by the motivation and the methodology utilized to develop the atmospheric turbulence fractional order modeling approach. Some examples covering the application of this method are also provided, followed by concluding remarks.
Xiao, Suzhi; Tao, Wei; Zhao, Hui
2016-04-28
In order to acquire an accurate three-dimensional (3D) measurement, the traditional fringe projection technique applies complex and laborious procedures to compensate for the errors that exist in the vision system. However, the error sources in the vision system are very complex, such as lens distortion, lens defocus, and fringe pattern nonsinusoidality. Some errors cannot even be explained or rendered with clear expressions and are difficult to compensate directly as a result. In this paper, an approach is proposed that avoids the complex and laborious compensation procedure for error sources but still promises accurate 3D measurement. It is realized by the mathematical model extension technique. The parameters of the extended mathematical model for the 'phase to 3D coordinates transformation' are derived using the least-squares parameter estimation algorithm. In addition, a phase-coding method based on a frequency analysis is proposed for the absolute phase map retrieval to spatially isolated objects. The results demonstrate the validity and the accuracy of the proposed flexible fringe projection vision system on spatially continuous and discontinuous objects for 3D measurement.
Xiao, Suzhi; Tao, Wei; Zhao, Hui
2016-01-01
In order to acquire an accurate three-dimensional (3D) measurement, the traditional fringe projection technique applies complex and laborious procedures to compensate for the errors that exist in the vision system. However, the error sources in the vision system are very complex, such as lens distortion, lens defocus, and fringe pattern nonsinusoidality. Some errors cannot even be explained or rendered with clear expressions and are difficult to compensate directly as a result. In this paper, an approach is proposed that avoids the complex and laborious compensation procedure for error sources but still promises accurate 3D measurement. It is realized by the mathematical model extension technique. The parameters of the extended mathematical model for the ’phase to 3D coordinates transformation’ are derived using the least-squares parameter estimation algorithm. In addition, a phase-coding method based on a frequency analysis is proposed for the absolute phase map retrieval to spatially isolated objects. The results demonstrate the validity and the accuracy of the proposed flexible fringe projection vision system on spatially continuous and discontinuous objects for 3D measurement. PMID:27136553
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.
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
Accurate model of electron beam profiles with emittance effects for pierce guns
NASA Astrophysics Data System (ADS)
Zeng, Peng; Wang, Guangqiang; Wang, Jianguo; Wang, Dongyang; Li, Shuang
2016-09-01
Accurate prediction of electron beam profile is one of the key objectives of electron optics, and the basis for design of the practical electron gun. In this paper, an improved model describing electron beam in Pierce gun with both space charge effects and emittance effects is proposed. The theory developed by Cutler and Hines is still applied for the accelerating region of the Pierce gun, while the motion equations of the electron beams in the anode aperture and drift tunnel are improved by modifying electron optics theory with emittance. As a result, a more universal and accurate formula of the focal length of the lens for the electron beam with both effects is derived for the anode aperture with finite dimension, and a modified universal spread curve considering beam emittance is introduced in drift tunnel region. Based on these improved motion equations of the electron beam, beam profiles with space charge effects and emittance effects can be theoretically predicted, which are subsequently approved to agree well with the experimentally measured ones. The developed model here is helpful to design more applicable Pierce guns at high frequencies.
Seth, Ajay; Matias, Ricardo; Veloso, António P.; Delp, Scott L.
2016-01-01
The complexity of shoulder mechanics combined with the movement of skin relative to the scapula makes it difficult to measure shoulder kinematics with sufficient accuracy to distinguish between symptomatic and asymptomatic individuals. Multibody skeletal models can improve motion capture accuracy by reducing the space of possible joint movements, and models are used widely to improve measurement of lower limb kinematics. In this study, we developed a rigid-body model of a scapulothoracic joint to describe the kinematics of the scapula relative to the thorax. This model describes scapular kinematics with four degrees of freedom: 1) elevation and 2) abduction of the scapula on an ellipsoidal thoracic surface, 3) upward rotation of the scapula normal to the thoracic surface, and 4) internal rotation of the scapula to lift the medial border of the scapula off the surface of the thorax. The surface dimensions and joint axes can be customized to match an individual’s anthropometry. We compared the model to “gold standard” bone-pin kinematics collected during three shoulder tasks and found modeled scapular kinematics to be accurate to within 2mm root-mean-squared error for individual bone-pin markers across all markers and movement tasks. As an additional test, we added random and systematic noise to the bone-pin marker data and found that the model reduced kinematic variability due to noise by 65% compared to Euler angles computed without the model. Our scapulothoracic joint model can be used for inverse and forward dynamics analyses and to compute joint reaction loads. The computational performance of the scapulothoracic joint model is well suited for real-time applications; it is freely available for use with OpenSim 3.2, and is customizable and usable with other OpenSim models. PMID:26734761
Seth, Ajay; Matias, Ricardo; Veloso, António P; Delp, Scott L
2016-01-01
The complexity of shoulder mechanics combined with the movement of skin relative to the scapula makes it difficult to measure shoulder kinematics with sufficient accuracy to distinguish between symptomatic and asymptomatic individuals. Multibody skeletal models can improve motion capture accuracy by reducing the space of possible joint movements, and models are used widely to improve measurement of lower limb kinematics. In this study, we developed a rigid-body model of a scapulothoracic joint to describe the kinematics of the scapula relative to the thorax. This model describes scapular kinematics with four degrees of freedom: 1) elevation and 2) abduction of the scapula on an ellipsoidal thoracic surface, 3) upward rotation of the scapula normal to the thoracic surface, and 4) internal rotation of the scapula to lift the medial border of the scapula off the surface of the thorax. The surface dimensions and joint axes can be customized to match an individual's anthropometry. We compared the model to "gold standard" bone-pin kinematics collected during three shoulder tasks and found modeled scapular kinematics to be accurate to within 2 mm root-mean-squared error for individual bone-pin markers across all markers and movement tasks. As an additional test, we added random and systematic noise to the bone-pin marker data and found that the model reduced kinematic variability due to noise by 65% compared to Euler angles computed without the model. Our scapulothoracic joint model can be used for inverse and forward dynamics analyses and to compute joint reaction loads. The computational performance of the scapulothoracic joint model is well suited for real-time applications; it is freely available for use with OpenSim 3.2, and is customizable and usable with other OpenSim models.
Testing Stellar Models with Accurate Parallaxes and Abundances of Metal-Poor Stars
NASA Astrophysics Data System (ADS)
O'Malley, Erin M.; McWilliam, Andrew; Chaboyer, Brian C.
2014-06-01
An abundance analysis of nine low metallicity main sequence stars using high dispersion spectroscopy from the Keck/HiRES and Magellan/Mike spectrographs is presented. These stars have recently had their parallaxes determined using the Fine Guidance Sensors on HST. Currently, the van Leeuwen (2007) Hipparcos catalog contains only one star with [Fe/H] <-1.4 suitable for use in main sequence fitting; the results of this work, along with the HST parallax measurements, will increase the number of stars available for main sequence fitting by an order of magnitude. Preliminary [Fe/H] and [α/Fe] abundances have been obtained. Eight of the nine target stars have metallicity [Fe/H] < -1.5 that can be used in the development of accurate stellar models for low metallicity stars. These results extend the range of stellar metallicities that can be modeled and will help to improve the accuracy of distance determinations to metal-poor GCs.
Burward-Hoy, J. M.; Geist, W. H.; Krick, M. S.; Mayo, D. R.
2004-01-01
Neutron multiplicity counting is a technique for the rapid, nondestructive measurement of plutonium mass in pure and impure materials. This technique is very powerful because it uses the measured coincidence count rates to determine the sample mass without requiring a set of representative standards for calibration. Interpreting measured singles, doubles, and triples count rates using the three-parameter standard point model accurately determines plutonium mass, neutron multiplication, and the ratio of ({alpha},n) to spontaneous-fission neutrons (alpha) for oxides of moderate mass. However, underlying standard point model assumptions - including constant neutron energy and constant multiplication throughout the sample - cause significant biases for the mass, multiplication, and alpha in measurements of metal and large, dense oxides.
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.
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).
Construction of feasible and accurate kinetic models of metabolism: A Bayesian approach.
Saa, Pedro A; Nielsen, Lars K
2016-07-15
Kinetic models are essential to quantitatively understand and predict the behaviour of metabolic networks. Detailed and thermodynamically feasible kinetic models of metabolism are inherently difficult to formulate and fit. They have a large number of heterogeneous parameters, are non-linear and have complex interactions. Many powerful fitting strategies are ruled out by the intractability of the likelihood function. Here, we have developed a computational framework capable of fitting feasible and accurate kinetic models using Approximate Bayesian Computation. This framework readily supports advanced modelling features such as model selection and model-based experimental design. We illustrate this approach on the tightly-regulated mammalian methionine cycle. Sampling from the posterior distribution, the proposed framework generated thermodynamically feasible parameter samples that converged on the true values, and displayed remarkable prediction accuracy in several validation tests. Furthermore, a posteriori analysis of the parameter distributions enabled appraisal of the systems properties of the network (e.g., control structure) and key metabolic regulations. Finally, the framework was used to predict missing allosteric interactions.
Construction of feasible and accurate kinetic models of metabolism: A Bayesian approach
Saa, Pedro A.; Nielsen, Lars K.
2016-01-01
Kinetic models are essential to quantitatively understand and predict the behaviour of metabolic networks. Detailed and thermodynamically feasible kinetic models of metabolism are inherently difficult to formulate and fit. They have a large number of heterogeneous parameters, are non-linear and have complex interactions. Many powerful fitting strategies are ruled out by the intractability of the likelihood function. Here, we have developed a computational framework capable of fitting feasible and accurate kinetic models using Approximate Bayesian Computation. This framework readily supports advanced modelling features such as model selection and model-based experimental design. We illustrate this approach on the tightly-regulated mammalian methionine cycle. Sampling from the posterior distribution, the proposed framework generated thermodynamically feasible parameter samples that converged on the true values, and displayed remarkable prediction accuracy in several validation tests. Furthermore, a posteriori analysis of the parameter distributions enabled appraisal of the systems properties of the network (e.g., control structure) and key metabolic regulations. Finally, the framework was used to predict missing allosteric interactions. PMID:27417285
Fitmunk: improving protein structures by accurate, automatic modeling of side-chain conformations
Porebski, Przemyslaw Jerzy; Cymborowski, Marcin; Pasenkiewicz-Gierula, Marta; Minor, Wladek
2016-01-01
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/. PMID:26894674
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/.
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
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
2016-04-01
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.
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.
Optimal Cluster Mill Pass Scheduling With an Accurate and Rapid New Strip Crown Model
Malik, Arif S.; Grandhi, Ramana V.; Zipf, Mark E.
2007-05-17
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
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
Fast and accurate analytical model to solve inverse problem in SHM using Lamb wave propagation
NASA Astrophysics Data System (ADS)
Poddar, Banibrata; Giurgiutiu, Victor
2016-04-01
Lamb wave propagation is at the center of attention of researchers for structural health monitoring of thin walled structures. This is due to the fact that Lamb wave modes are natural modes of wave propagation in these structures with long travel distances and without much attenuation. This brings the prospect of monitoring large structure with few sensors/actuators. However the problem of damage detection and identification is an "inverse problem" where we do not have the luxury to know the exact mathematical model of the system. On top of that the problem is more challenging due to the confounding factors of statistical variation of the material and geometric properties. Typically this problem may also be ill posed. Due to all these complexities the direct solution of the problem of damage detection and identification in SHM is impossible. Therefore an indirect method using the solution of the "forward problem" is popular for solving the "inverse problem". This requires a fast forward problem solver. Due to the complexities involved with the forward problem of scattering of Lamb waves from damages researchers rely primarily on numerical techniques such as FEM, BEM, etc. But these methods are slow and practically impossible to be used in structural health monitoring. We have developed a fast and accurate analytical forward problem solver for this purpose. This solver, CMEP (complex modes expansion and vector projection), can simulate scattering of Lamb waves from all types of damages in thin walled structures fast and accurately to assist the inverse problem solver.
Magnetic gaps in organic tri-radicals: From a simple model to accurate estimates
NASA Astrophysics Data System (ADS)
Barone, Vincenzo; Cacelli, Ivo; Ferretti, Alessandro; Prampolini, Giacomo
2017-03-01
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.
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).
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.
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.
NASA Astrophysics Data System (ADS)
McKemmish, Laura K.; Yurchenko, Sergei N.; Tennyson, Jonathan
2016-11-01
Accurate knowledge of the rovibronic near-infrared and visible spectra of vanadium monoxide (VO) is very important for studies of cool stellar and hot planetary atmospheres. Here, the required ab initio dipole moment and spin-orbit coupling curves for VO are produced. This data forms the basis of a new VO line list considering 13 different electronic states and containing over 277 million transitions. Open shell transition, metal diatomics are challenging species to model through ab initio quantum mechanics due to the large number of low-lying electronic states, significant spin-orbit coupling and strong static and dynamic electron correlation. Multi-reference configuration interaction methodologies using orbitals from a complete active space self-consistent-field (CASSCF) calculation are the standard technique for these systems. We use different state-specific or minimal-state CASSCF orbitals for each electronic state to maximise the calculation accuracy. The off-diagonal dipole moment controls the intensity of electronic transitions. We test finite-field off-diagonal dipole moments, but found that (1) the accuracy of the excitation energies were not sufficient to allow accurate dipole moments to be evaluated and (2) computer time requirements for perpendicular transitions were prohibitive. The best off-diagonal dipole moments are calculated using wavefunctions with different CASSCF orbitals.
Development of an engineering model traveling wave tube amplifier for space communication systems
NASA Technical Reports Server (NTRS)
Eallonardo, C. M.; Songli, J.; Basiulis, A.
1972-01-01
A design has been made of a 100 watt traveling-wave tube amplifier for use in space communication applications. The features of very high overall efficiency and heat rejection of waste heat at low thermal densities were predominant in the design concept. The design concept was proven by building a series of tubes, operating at efficiencies up to 50%. These tubes utilized heat pipe cooling and heat distribution such that 150 watts of waste heat was rejected at a density of less than 1.5 watts per square inch. A power supply to convert a 28 volt primary line of the needs of the TWT was built and operated at 85% efficiency.
Pagán, Josué; Risco-Martín, José L; Moya, José M; Ayala, José L
2016-08-01
Prediction of symptomatic crises in chronic diseases allows to take decisions before the symptoms occur, such as the intake of drugs to avoid the symptoms or the activation of medical alarms. The prediction horizon is in this case an important parameter in order to fulfill the pharmacokinetics of medications, or the time response of medical services. This paper presents a study about the prediction limits of a chronic disease with symptomatic crises: the migraine. For that purpose, this work develops a methodology to build predictive migraine models and to improve these predictions beyond the limits of the initial models. The maximum prediction horizon is analyzed, and its dependency on the selected features is studied. A strategy for model selection is proposed to tackle the trade off between conservative but robust predictive models, with respect to less accurate predictions with higher horizons. The obtained results show a prediction horizon close to 40min, which is in the time range of the drug pharmacokinetics. Experiments have been performed in a realistic scenario where input data have been acquired in an ambulatory clinical study by the deployment of a non-intrusive Wireless Body Sensor Network. Our results provide an effective methodology for the selection of the future horizon in the development of prediction algorithms for diseases experiencing symptomatic crises.
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.
Linaro, Daniele; Storace, Marco; Giugliano, Michele
2011-03-01
Stochastic channel gating is the major source of intrinsic neuronal noise whose functional consequences at the microcircuit- and network-levels have been only partly explored. A systematic study of this channel noise in large ensembles of biophysically detailed model neurons calls for the availability of fast numerical methods. In fact, exact techniques employ the microscopic simulation of the random opening and closing of individual ion channels, usually based on Markov models, whose computational loads are prohibitive for next generation massive computer models of the brain. In this work, we operatively define a procedure for translating any Markov model describing voltage- or ligand-gated membrane ion-conductances into an effective stochastic version, whose computer simulation is efficient, without compromising accuracy. Our approximation is based on an improved Langevin-like approach, which employs stochastic differential equations and no Montecarlo methods. As opposed to an earlier proposal recently debated in the literature, our approximation reproduces accurately the statistical properties of the exact microscopic simulations, under a variety of conditions, from spontaneous to evoked response features. In addition, our method is not restricted to the Hodgkin-Huxley sodium and potassium currents and is general for a variety of voltage- and ligand-gated ion currents. As a by-product, the analysis of the properties emerging in exact Markov schemes by standard probability calculus enables us for the first time to analytically identify the sources of inaccuracy of the previous proposal, while providing solid ground for its modification and improvement we present here.
Efficient and Accurate Explicit Integration Algorithms with Application to Viscoplastic Models
NASA Technical Reports Server (NTRS)
Arya, Vinod K.
1994-01-01
Several explicit integration algorithms with self-adative time integration strategies are developed and investigated for efficiency and accuracy. These algorithms involve the Runge-Kutta second order, the lower Runge-Kutta method of orders one and two, and the exponential integration method. The algorithms are applied to viscoplastic models put forth by Freed and Verrilli and Bodner and Partom for thermal/mechanical loadings (including tensile, relaxation, and cyclic loadings). The large amount of computations performed showed that, for comparable accuracy, the efficiency of an integration algorithm depends significantly on the type of application (loading). However, in general, for the aforementioned loadings and viscoplastic models, the exponential integration algorithm with the proposed self-adaptive time integration strategy worked more (or comparably) efficiently and accurately than the other integration algorithms. Using this strategy for integrating viscoplastic models may lead to considerable savings in computer time (better efficiency) without adversely affecting the accuracy of the results. This conclusion should encourage the utilization of viscoplastic models in the stress analysis and design of structural components.
Liu, Jia-Xiu; Chen, Yong-Sheng; Chen, Li-Fen
2009-10-15
Brain extraction from head magnetic resonance (MR) images is a classification problem of segmenting image volumes into brain and non-brain regions. It is a difficult task due to the convoluted brain surface and the inapparent brain/non-brain boundaries in images. This paper presents an automated, robust, and accurate brain extraction method which utilizes a new implicit deformable model to well represent brain contours and to segment brain regions from MR images. This model is described by a set of Wendland's radial basis functions (RBFs) and has the advantages of compact support property and low computational complexity. Driven by the internal force for imposing the smoothness constraint and the external force for considering the intensity contrast across boundaries, the deformable model of a brain contour can efficiently evolve from its initial state toward its target by iteratively updating the RBF locations. In the proposed method, brain contours are separately determined on 2D coronal and sagittal slices. The results from these two views are generally complementary and are thus integrated to obtain a complete 3D brain volume. The proposed method was compared to four existing methods, Brain Surface Extractor, Brain Extraction Tool, Hybrid Watershed Algorithm, and Model-based Level Set, by using two sets of MR images as well as manual segmentation results obtained from the Internet Brain Segmentation Repository. Our experimental results demonstrated that the proposed approach outperformed these four methods when jointly considering extraction accuracy and robustness.
Accurate integral equation theory for the central force model of liquid water and ionic solutions
NASA Astrophysics Data System (ADS)
Ichiye, Toshiko; Haymet, A. D. J.
1988-10-01
The atom-atom pair correlation functions and thermodynamics of the central force model of water, introduced by Lemberg, Stillinger, and Rahman, have been calculated accurately by an integral equation method which incorporates two new developments. First, a rapid new scheme has been used to solve the Ornstein-Zernike equation. This scheme combines the renormalization methods of Allnatt, and Rossky and Friedman with an extension of the trigonometric basis-set solution of Labik and co-workers. Second, by adding approximate ``bridge'' functions to the hypernetted-chain (HNC) integral equation, we have obtained predictions for liquid water in which the hydrogen bond length and number are in good agreement with ``exact'' computer simulations of the same model force laws. In addition, for dilute ionic solutions, the ion-oxygen and ion-hydrogen coordination numbers display both the physically correct stoichiometry and good agreement with earlier simulations. These results represent a measurable improvement over both a previous HNC solution of the central force model and the ex-RISM integral equation solutions for the TIPS and other rigid molecule models of water.
Do Ecological Niche Models Accurately Identify Climatic Determinants of Species Ranges?
Searcy, Christopher A; Shaffer, H Bradley
2016-04-01
Defining species' niches is central to understanding their distributions and is thus fundamental to basic ecology and climate change projections. Ecological niche models (ENMs) are a key component of making accurate projections and include descriptions of the niche in terms of both response curves and rankings of variable importance. In this study, we evaluate Maxent's ranking of environmental variables based on their importance in delimiting species' range boundaries by asking whether these same variables also govern annual recruitment based on long-term demographic studies. We found that Maxent-based assessments of variable importance in setting range boundaries in the California tiger salamander (Ambystoma californiense; CTS) correlate very well with how important those variables are in governing ongoing recruitment of CTS at the population level. This strong correlation suggests that Maxent's ranking of variable importance captures biologically realistic assessments of factors governing population persistence. However, this result holds only when Maxent models are built using best-practice procedures and variables are ranked based on permutation importance. Our study highlights the need for building high-quality niche models and provides encouraging evidence that when such models are built, they can reflect important aspects of a species' ecology.
The computational model to predict accurately inhibitory activity for inhibitors towards CYP3A4.
Xie, Zhiyuan; Zhang, Tao; Wang, Jing-Fang; Chou, Kuo-Chen; Wei, Dong-Qing
2010-01-01
The cytochrome P450 (CYP) is a superfamily of enzymes with oxidative function responsible for the metabolism of xenobiotics especially drug metabolism. CYP3A4, an extensive studied CYP isoform, plays crucial role in the metabolism of structurally diverse drugs. Furthermore, the drug-drug interaction resulted from the inhibition of CYP3A4 activity is of extreme importance for the treatment of disease and the development of new drug. In this study, using the method of the support vector machine (SVM) and three descriptors selected from the 153 descriptors we construct the models that can predict accurately the inhibitory effect of a compound on the activity of CYP3A4. By optimizing the parameters related to SVM, the cross validation correlation efficient of the model can achieve 0.71, which is higher than those of other models obtained using Artifical Neutral Network (ANN) and Partial least square (PLS) methods to our knowledge, and thus our model can present the important application in assessment of the potential toxicity of a drug as well as prediction of drug-drug interactions. Copyright © 2010 Elsevier Ltd. All rights reserved.
Felmy, Andrew R.; Mason, Marvin; Qafoku, Odeta; Xia, Yuanxian; Wang, Zheming; MacLean, Graham
2003-03-27
Developing accurate thermodynamic models for predicting the chemistry of the high-level waste tanks at Hanford is an extremely daunting challenge in electrolyte and radionuclide chemistry. These challenges stem from the extremely high ionic strength of the tank waste supernatants, presence of chelating agents in selected tanks, wide temperature range in processing conditions and the presence of important actinide species in multiple oxidation states. This presentation summarizes progress made to date in developing accurate models for these tank waste solutions, how these data are being used at Hanford and the important challenges that remain. New thermodynamic measurements on Sr and actinide complexation with specific chelating agents (EDTA, HEDTA and gluconate) will also be presented.
Santolini, Marc; Mora, Thierry; Hakim, Vincent
2014-01-01
The identification of transcription factor binding sites (TFBSs) on genomic DNA is of crucial importance for understanding and predicting regulatory elements in gene networks. TFBS motifs are commonly described by Position Weight Matrices (PWMs), in which each DNA base pair contributes independently to the transcription factor (TF) binding. However, this description ignores correlations between nucleotides at different positions, and is generally inaccurate: analysing fly and mouse in vivo ChIPseq data, we show that in most cases the PWM model fails to reproduce the observed statistics of TFBSs. To overcome this issue, we introduce the pairwise interaction model (PIM), a generalization of the PWM model. The model is based on the principle of maximum entropy and explicitly describes pairwise correlations between nucleotides at different positions, while being otherwise as unconstrained as possible. It is mathematically equivalent to considering a TF-DNA binding energy that depends additively on each nucleotide identity at all positions in the TFBS, like the PWM model, but also additively on pairs of nucleotides. We find that the PIM significantly improves over the PWM model, and even provides an optimal description of TFBS statistics within statistical noise. The PIM generalizes previous approaches to interdependent positions: it accounts for co-variation of two or more base pairs, and predicts secondary motifs, while outperforming multiple-motif models consisting of mixtures of PWMs. We analyse the structure of pairwise interactions between nucleotides, and find that they are sparse and dominantly located between consecutive base pairs in the flanking region of TFBS. Nonetheless, interactions between pairs of non-consecutive nucleotides are found to play a significant role in the obtained accurate description of TFBS statistics. The PIM is computationally tractable, and provides a general framework that should be useful for describing and predicting TFBSs beyond
Application of thin plate splines for accurate regional ionosphere modeling with multi-GNSS data
NASA Astrophysics Data System (ADS)
Krypiak-Gregorczyk, Anna; Wielgosz, Pawel; Borkowski, Andrzej
2016-04-01
GNSS-derived regional ionosphere models are widely used in both precise positioning, ionosphere and space weather studies. However, their accuracy is often not sufficient to support precise positioning, RTK in particular. In this paper, we presented new approach that uses solely carrier phase multi-GNSS observables and thin plate splines (TPS) for accurate ionospheric TEC modeling. TPS is a closed solution of a variational problem minimizing both the sum of squared second derivatives of a smoothing function and the deviation between data points and this function. This approach is used in UWM-rt1 regional ionosphere model developed at UWM in Olsztyn. The model allows for providing ionospheric TEC maps with high spatial and temporal resolutions - 0.2x0.2 degrees and 2.5 minutes, respectively. For TEC estimation, EPN and EUPOS reference station data is used. The maps are available with delay of 15-60 minutes. In this paper we compare the performance of UWM-rt1 model with IGS global and CODE regional ionosphere maps during ionospheric storm that took place on March 17th, 2015. During this storm, the TEC level over Europe doubled comparing to earlier quiet days. The performance of the UWM-rt1 model was validated by (a) comparison to reference double-differenced ionospheric corrections over selected baselines, and (b) analysis of post-fit residuals to calibrated carrier phase geometry-free observational arcs at selected test stations. The results show a very good performance of UWM-rt1 model. The obtained post-fit residuals in case of UWM maps are lower by one order of magnitude comparing to IGS maps. The accuracy of UWM-rt1 -derived TEC maps is estimated at 0.5 TECU. This may be directly translated to the user positioning domain.
NASA Astrophysics Data System (ADS)
Somerville, W. R. C.; Auguié, B.; Le Ru, E. C.
2016-03-01
SMARTIES calculates the optical properties of oblate and prolate spheroidal particles, with comparable capabilities and ease-of-use as Mie theory for spheres. This suite of MATLAB codes provides a fully documented implementation of an improved T-matrix algorithm for the theoretical modelling of electromagnetic scattering by particles of spheroidal shape. Included are scripts that cover a range of scattering problems relevant to nanophotonics and plasmonics, including calculation of far-field scattering and absorption cross-sections for fixed incidence orientation, orientation-averaged cross-sections and scattering matrix, surface-field calculations as well as near-fields, wavelength-dependent near-field and far-field properties, and access to lower-level functions implementing the T-matrix calculations, including the T-matrix elements which may be calculated more accurately than with competing codes.
Accurate force fields and methods for modelling organic molecular crystals at finite temperatures.
Nyman, Jonas; Pundyke, Orla Sheehan; Day, Graeme M
2016-06-21
We present an assessment of the performance of several force fields for modelling intermolecular interactions in organic molecular crystals using the X23 benchmark set. The performance of the force fields is compared to several popular dispersion corrected density functional methods. In addition, we present our implementation of lattice vibrational free energy calculations in the quasi-harmonic approximation, using several methods to account for phonon dispersion. This allows us to also benchmark the force fields' reproduction of finite temperature crystal structures. The results demonstrate that anisotropic atom-atom multipole-based force fields can be as accurate as several popular DFT-D methods, but have errors 2-3 times larger than the current best DFT-D methods. The largest error in the examined force fields is a systematic underestimation of the (absolute) lattice energy.
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
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 fidelity 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.
Mission-based budgeting hours model: an accurate way to understand physician costs.
Decker, M Chris; DeBehnke, Daniel J
2002-03-01
Financial resources to manage academic emergency departments are becoming more scarce. The Association of American Medical Colleges (AAMC) has embraced mission-based management (MBM) as one viable option to allocate financial and personnel resources based on medical school goals. The key features of this style are integrating financial statements, measuring faculty activity, holding service line leaders accountable, and building a trust through information sharing. The authors describe how they integrated their service line cost through an hours model. From this they describe a formula for calculating the cost of protected time. The authors use mission-based budgeting to more accurately understand their physician costs and use the formula to effectively negotiate internal and external contracts.
Brandenburg, Jan Gerit; Grimme, Stefan
2014-06-05
The ambitious goal of organic crystal structure prediction challenges theoretical methods regarding their accuracy and efficiency. Dispersion-corrected density functional theory (DFT-D) in principle is applicable, but the computational demands, for example, to compute a huge number of polymorphs, are too high. Here, we demonstrate that this task can be carried out by a dispersion-corrected density functional tight binding (DFTB) method. The semiempirical Hamiltonian with the D3 correction can accurately and efficiently model both solid- and gas-phase inter- and intramolecular interactions at a speed up of 2 orders of magnitude compared to DFT-D. The mean absolute deviations for interaction (lattice) energies for various databases are typically 2-3 kcal/mol (10-20%), that is, only about two times larger than those for DFT-D. For zero-point phonon energies, small deviations of <0.5 kcal/mol compared to DFT-D are obtained.
He, Jin-Xin; Chen, Sheng-Bo; Wang, Yang; Wu, Yan-Fan
2014-02-01
The spectral absorption features are very similar between some minerals, especially hydrothermal alteration minerals related to mineralization, and they are also influenced by other factors such as spectral mixture. As a result, many of the spectral identification approaches for the minerals with similar spectral absorption features are prone to confusion and misjudgment. Therefore, to solve the phenomenon of "same mineral has different spectrums, and same spectrum belongs to different minerals", this paper proposes an accurate approach to hyperspectral mineral identification based on naive bayesian classification model. By testing and analyzing muscovite and kaolinite, the two typical alteration minerals, and comparing this approach with spectral angle matching, binary encoding and spectral feature fitting, the three popular spectral identification approaches, the results show that this approach can make more obvious differences among different minerals having similar spectrums, and has higher classification accuracy, since it is based on the position of absorption feature, absorption depth and the slope of continuum.
Kim, Sungpyo; Park, Hongkeun; Chandran, Kartik
2010-02-01
The overall goal of this study was to quantify the propensity of the activated sludge (AS) process at three wastewater treatment plants (WWTP) to amplify or attenuate tetracycline resistant bacteria (TRB) and tetracycline resistance genes (TRG). Accordingly, the abundance and fraction of TRB and seven TRG in different unit operations of these WWTP were analytically measured and modeled using a mass balance approach widely used for AS design. Based on the model, the AS process of the different WWTP neither amplified nor attenuated the TRB and TRG fractions. Of the TRG tested, the ribosomal protection genes, tet(O) and tet(W) were the most abundant, along the treatment train of the WWTP, on all sampling dates and sampling locations. Significant amounts of TRB and TRG were discharged in the effluent streams. Notably, in selected samples, the fraction of TRB increased in response to ultraviolet disinfection of treated wastewater compared to chlorination. This study therefore implicates wastewater treatment processes as significant point sources of tetracycline resistance determinants to the environment, and provides a mathematical basis to compute the production capacity of these determinants in the AS process. Copyright (c) 2010 Elsevier Ltd. All rights reserved.
O’Connor, James PB; Boult, Jessica KR; Jamin, Yann; Babur, Muhammad; Finegan, Katherine G; Williams, Kaye J; Little, Ross A; Jackson, Alan; Parker, Geoff JM; Reynolds, Andrew R; Waterton, John C; Robinson, Simon P
2015-01-01
There is a clinical need for non-invasive biomarkers of tumor hypoxia for prognostic and predictive studies, radiotherapy planning and therapy monitoring. Oxygen enhanced MRI (OE-MRI) is an emerging imaging technique for quantifying the spatial distribution and extent of tumor oxygen delivery in vivo. In OE-MRI, the longitudinal relaxation rate of protons (ΔR1) changes in proportion to the concentration of molecular oxygen dissolved in plasma or interstitial tissue fluid. Therefore, well-oxygenated tissues show positive ΔR1. We hypothesized that the fraction of tumor tissue refractory to oxygen challenge (lack of positive ΔR1, termed “Oxy-R fraction”) would be a robust biomarker of hypoxia in models with varying vascular and hypoxic features. Here we demonstrate that OE-MRI signals are accurate, precise and sensitive to changes in tumor pO2 in highly vascular 786-0 renal cancer xenografts. Furthermore, we show that Oxy-R fraction can quantify the hypoxic fraction in multiple models with differing hypoxic and vascular phenotypes, when used in combination with measurements of tumor perfusion. Finally, Oxy-R fraction can detect dynamic changes in hypoxia induced by the vasomodulator agent hydralazine. In contrast, more conventional biomarkers of hypoxia (derived from blood oxygenation-level dependent MRI and dynamic contrast-enhanced MRI) did not relate to tumor hypoxia consistently. Our results show that the Oxy-R fraction accurately quantifies tumor hypoxia non-invasively and is immediately translatable to the clinic. PMID:26659574
Discrete state model and accurate estimation of loop entropy of RNA secondary structures.
Zhang, Jian; Lin, Ming; Chen, Rong; Wang, Wei; Liang, Jie
2008-03-28
Conformational entropy makes important contribution to the stability and folding of RNA molecule, but it is challenging to either measure or compute conformational entropy associated with long loops. We develop optimized discrete k-state models of RNA backbone based on known RNA structures for computing entropy of loops, which are modeled as self-avoiding walks. To estimate entropy of hairpin, bulge, internal loop, and multibranch loop of long length (up to 50), we develop an efficient sampling method based on the sequential Monte Carlo principle. Our method considers excluded volume effect. It is general and can be applied to calculating entropy of loops with longer length and arbitrary complexity. For loops of short length, our results are in good agreement with a recent theoretical model and experimental measurement. For long loops, our estimated entropy of hairpin loops is in excellent agreement with the Jacobson-Stockmayer extrapolation model. However, for bulge loops and more complex secondary structures such as internal and multibranch loops, we find that the Jacobson-Stockmayer extrapolation model has large errors. Based on estimated entropy, we have developed empirical formulae for accurate calculation of entropy of long loops in different secondary structures. Our study on the effect of asymmetric size of loops suggest that loop entropy of internal loops is largely determined by the total loop length, and is only marginally affected by the asymmetric size of the two loops. Our finding suggests that the significant asymmetric effects of loop length in internal loops measured by experiments are likely to be partially enthalpic. Our method can be applied to develop improved energy parameters important for studying RNA stability and folding, and for predicting RNA secondary and tertiary structures. The discrete model and the program used to calculate loop entropy can be downloaded at http://gila.bioengr.uic.edu/resources/RNA.html.
Random generalized linear model: a highly accurate and interpretable ensemble predictor
2013-01-01
Background Ensemble predictors such as the random forest are known to have superior accuracy but their black-box predictions are difficult to interpret. In contrast, a generalized linear model (GLM) is very interpretable especially when forward feature selection is used to construct the model. However, forward feature selection tends to overfit the data and leads to low predictive accuracy. Therefore, it remains an important research goal to combine the advantages of ensemble predictors (high accuracy) with the advantages of forward regression modeling (interpretability). To address this goal several articles have explored GLM based ensemble predictors. Since limited evaluations suggested that these ensemble predictors were less accurate than alternative predictors, they have found little attention in the literature. Results Comprehensive evaluations involving hundreds of genomic data sets, the UCI machine learning benchmark data, and simulations are used to give GLM based ensemble predictors a new and careful look. A novel bootstrap aggregated (bagged) GLM predictor that incorporates several elements of randomness and instability (random subspace method, optional interaction terms, forward variable selection) often outperforms a host of alternative prediction methods including random forests and penalized regression models (ridge regression, elastic net, lasso). This random generalized linear model (RGLM) predictor provides variable importance measures that can be used to define a “thinned” ensemble predictor (involving few features) that retains excellent predictive accuracy. Conclusion RGLM is a state of the art predictor that shares the advantages of a random forest (excellent predictive accuracy, feature importance measures, out-of-bag estimates of accuracy) with those of a forward selected generalized linear model (interpretability). These methods are implemented in the freely available R software package randomGLM. PMID:23323760
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.
Guzenko, Dmytro; Strelkov, Sergei V
2017-09-04
Accurate molecular structure of the protein dimer representing the elementary building block of intermediate filaments (IFs) is essential towards the understanding of the filament assembly, rationalizing their mechanical properties and explaining the effect of disease-related IF mutations. The dimer contains a ~300-residue long α-helical coiled coil which cannot be assessed by either direct experimental structure determination or modelling using standard approaches. At the same time, coiled coils are well-represented in structural databases. Here we present CCFold, a generally applicable threading-based algorithm which produces coiled-coil models from protein sequence only. The algorithm is based on a statistical analysis of experimentally determined structures and can handle any hydrophobic repeat patterns in addition to the most common heptads. We demonstrate that CCFold outperforms general-purpose computational folding in terms of accuracy, while being faster by orders of magnitude. By combining the CCFold algorithm and Rosetta folding we generate representative dimer models for all IF protein classes. The source code is freely available at https://github.com/biocryst/IF ; a web server to run the program is at http://pharm.kuleuven.be/Biocrystallography/cc. sergei.strelkov@kuleuven.be. Supplementary data are available at Bioinformatics online.
Development of a fast and accurate PCRTM radiative transfer model in the solar spectral region.
Liu, Xu; Yang, Qiguang; Li, Hui; Jin, Zhonghai; Wu, Wan; Kizer, Susan; Zhou, Daniel K; Yang, Ping
2016-10-10
A fast and accurate principal component-based radiative transfer model in the solar spectral region (PCRTM-SOLAR) has been developed. The algorithm is capable of simulating reflected solar spectra in both clear sky and cloudy atmospheric conditions. Multiple scattering of the solar beam by the multilayer clouds and aerosols are calculated using a discrete ordinate radiative transfer scheme. The PCRTM-SOLAR model can be trained to simulate top-of-atmosphere radiance or reflectance spectra with spectral resolution ranging from 1 cm^{-1} resolution to a few nanometers. Broadband radiances or reflectance can also be calculated if desired. The current version of the PCRTM-SOLAR covers a spectral range from 300 to 2500 nm. The model is valid for solar zenith angles ranging from 0 to 80 deg, the instrument view zenith angles ranging from 0 to 70 deg, and the relative azimuthal angles ranging from 0 to 360 deg. Depending on the number of spectral channels, the speed of the current version of PCRTM-SOLAR is a few hundred to over one thousand times faster than the medium speed correlated-k option MODTRAN5. The absolute RMS error in channel radiance is smaller than 10^{-3} mW/cm^{2}/sr/cm^{-1} and the relative error is typically less than 0.2%.
Development of a Fast and Accurate PCRTM Radiative Transfer Model in the Solar Spectral Region
NASA Technical Reports Server (NTRS)
Liu, Xu; Yang, Qiguang; Li, Hui; Jin, Zhonghai; Wu, Wan; Kizer, Susan; Zhou, Daniel K.; Yang, Ping
2016-01-01
A fast and accurate principal component-based radiative transfer model in the solar spectral region (PCRTMSOLAR) has been developed. The algorithm is capable of simulating reflected solar spectra in both clear sky and cloudy atmospheric conditions. Multiple scattering of the solar beam by the multilayer clouds and aerosols are calculated using a discrete ordinate radiative transfer scheme. The PCRTM-SOLAR model can be trained to simulate top-of-atmosphere radiance or reflectance spectra with spectral resolution ranging from 1 cm(exp -1) resolution to a few nanometers. Broadband radiances or reflectance can also be calculated if desired. The current version of the PCRTM-SOLAR covers a spectral range from 300 to 2500 nm. The model is valid for solar zenith angles ranging from 0 to 80 deg, the instrument view zenith angles ranging from 0 to 70 deg, and the relative azimuthal angles ranging from 0 to 360 deg. Depending on the number of spectral channels, the speed of the current version of PCRTM-SOLAR is a few hundred to over one thousand times faster than the medium speed correlated-k option MODTRAN5. The absolute RMS error in channel radiance is smaller than 10(exp -3) mW/cm)exp 2)/sr/cm(exp -1) and the relative error is typically less than 0.2%.
Development of a Fast and Accurate PCRTM Radiative Transfer Model in the Solar Spectral Region
NASA Technical Reports Server (NTRS)
Liu, Xu; Yang, Qiguang; Li, Hui; Jin, Zhonghai; Wu, Wan; Kizer, Susan; Zhou, Daniel K.; Yang, Ping
2016-01-01
A fast and accurate principal component-based radiative transfer model in the solar spectral region (PCRTMSOLAR) has been developed. The algorithm is capable of simulating reflected solar spectra in both clear sky and cloudy atmospheric conditions. Multiple scattering of the solar beam by the multilayer clouds and aerosols are calculated using a discrete ordinate radiative transfer scheme. The PCRTM-SOLAR model can be trained to simulate top-of-atmosphere radiance or reflectance spectra with spectral resolution ranging from 1 cm(exp -1) resolution to a few nanometers. Broadband radiances or reflectance can also be calculated if desired. The current version of the PCRTM-SOLAR covers a spectral range from 300 to 2500 nm. The model is valid for solar zenith angles ranging from 0 to 80 deg, the instrument view zenith angles ranging from 0 to 70 deg, and the relative azimuthal angles ranging from 0 to 360 deg. Depending on the number of spectral channels, the speed of the current version of PCRTM-SOLAR is a few hundred to over one thousand times faster than the medium speed correlated-k option MODTRAN5. The absolute RMS error in channel radiance is smaller than 10(exp -3) mW/cm)exp 2)/sr/cm(exp -1) and the relative error is typically less than 0.2%.
A murine model of neurofibromatosis type 2 that accurately phenocopies human schwannoma formation
Gehlhausen, Jeffrey R.; Park, Su-Jung; Hickox, Ann E.; Shew, Matthew; Staser, Karl; Rhodes, Steven D.; Menon, Keshav; Lajiness, Jacquelyn D.; Mwanthi, Muithi; Yang, Xianlin; Yuan, Jin; Territo, Paul; Hutchins, Gary; Nalepa, Grzegorz; Yang, Feng-Chun; Conway, Simon J.; Heinz, Michael G.; Stemmer-Rachamimov, Anat; Yates, Charles W.; Wade Clapp, D.
2015-01-01
Neurofibromatosis type 2 (NF2) is an autosomal dominant genetic disorder resulting from germline mutations in the NF2 gene. Bilateral vestibular schwannomas, tumors on cranial nerve VIII, are pathognomonic for NF2 disease. Furthermore, schwannomas also commonly develop in other cranial nerves, dorsal root ganglia and peripheral nerves. These tumors are a major cause of morbidity and mortality, and medical therapies to treat them are limited. Animal models that accurately recapitulate the full anatomical spectrum of human NF2-related schwannomas, including the characteristic functional deficits in hearing and balance associated with cranial nerve VIII tumors, would allow systematic evaluation of experimental therapeutics prior to clinical use. Here, we present a genetically engineered NF2 mouse model generated through excision of the Nf2 gene driven by Cre expression under control of a tissue-restricted 3.9kbPeriostin promoter element. By 10 months of age, 100% of Postn-Cre; Nf2flox/flox mice develop spinal, peripheral and cranial nerve tumors histologically identical to human schwannomas. In addition, the development of cranial nerve VIII tumors correlates with functional impairments in hearing and balance, as measured by auditory brainstem response and vestibular testing. Overall, the Postn-Cre; Nf2flox/flox tumor model provides a novel tool for future mechanistic and therapeutic studies of NF2-associated schwannomas. PMID:25113746
Accurate Models of Formation Enthalpy Created using Machine Learning and Voronoi Tessellations
NASA Astrophysics Data System (ADS)
Ward, Logan; Liu, Rosanne; Krishna, Amar; Hegde, Vinay; Agrawal, Ankit; Choudhary, Alok; Wolverton, Chris
Several groups in the past decade have used high-throughput Density Functional Theory to predict the properties of hundreds of thousands of compounds. These databases provide the unique capability of being able to quickly query the properties of many compounds. Here, we explore how these datasets can also be used to create models that can predict the properties of compounds at rates several orders of magnitude faster than DFT. Our method relies on using Voronoi tessellations to derive attributes that quantitatively characterize the local environment around each atom, which then are used as input to a machine learning model. In this presentation, we will discuss the application of this technique to predicting the formation enthalpy of compounds using data from the Open Quantum Materials Database (OQMD). To date, we have found that this technique can be used to create models that are about twice as accurate as those created using the Coulomb Matrix and Partial Radial Distribution approaches and are equally as fast to evaluate.
2011-01-01
Background Data assimilation refers to methods for updating the state vector (initial condition) of a complex spatiotemporal model (such as a numerical weather model) by combining new observations with one or more prior forecasts. We consider the potential feasibility of this approach for making short-term (60-day) forecasts of the growth and spread of a malignant brain cancer (glioblastoma multiforme) in individual patient cases, where the observations are synthetic magnetic resonance images of a hypothetical tumor. Results We apply a modern state estimation algorithm (the Local Ensemble Transform Kalman Filter), previously developed for numerical weather prediction, to two different mathematical models of glioblastoma, taking into account likely errors in model parameters and measurement uncertainties in magnetic resonance imaging. The filter can accurately shadow the growth of a representative synthetic tumor for 360 days (six 60-day forecast/update cycles) in the presence of a moderate degree of systematic model error and measurement noise. Conclusions The mathematical methodology described here may prove useful for other modeling efforts in biology and oncology. An accurate forecast system for glioblastoma may prove useful in clinical settings for treatment planning and patient counseling. Reviewers This article was reviewed by Anthony Almudevar, Tomas Radivoyevitch, and Kristin Swanson (nominated by Georg Luebeck). PMID:22185645
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
Accurate Modeling of Water Clusters with Density-Functional Theory Using Atom-Centered Potentials.
Holmes, Jake D; Otero-de-la-Roza, Alberto; DiLabio, Gino A
2017-09-12
The ability of atom-centered potentials (ACPs) to improve the modeling of water clusters using density-functional methods is explored. Water-specific ACPs were developed using accurate ab initio reference data to correct the deficiencies of the BHandHLYP density functional in the calculation of absolute and relative binding energies of water clusters. In conjunction with aug-cc-pVTZ basis sets and with or without dispersion corrections, it is possible to obtain absolute binding energies for water clusters containing up to 10 H2O molecules to within 0.44 kcal/mol or 0.04 kcal/mol per water molecule. In contrast, dispersion-corrected BHandHLYP/aug-cc-pVTZ predicts binding energies with errors as large as 6 kcal/mol for (H2O)10 in the absence of ACPs. Therefore, the ACPs improve predicted binding energies in these clusters by more than an order of magnitude. The conformers of (H2O)16 and (H2O)17 were used to validate the application of ACPs to larger clusters. ACP-based approaches are able to predict the binding energies in (H2O)16,17 within a range of 0.3-2.2 kcal/mol (less than 1.3%) of recently revised ab initio wave function results. ACPs for basis sets smaller than aug-cc-pVTZ are also presented. However, the ability of the BHandHLYP/ACP approach to predict accurate binding energies deteriorates as the size of the basis sets decreases. Nevertheless, ACPs improve predicted binding energies by as much as a factor of 50 across the range of the basis sets studied. The BHandHLYP/aug-cc-pVTZ-ACP method was applied to (H2O)25 in order to identify the minimum-energy structure of a collection of proposed global minimum-energy structures. The BHandHLYP/aug-cc-pVTZ-ACP approach is an accurate and computationally affordable alternative to wave function theory methods for the prediction of the binding energies and energy ranking of water clusters.
Suicide Risk: Amplifiers and Attenuators.
ERIC Educational Resources Information Center
Plutchik, Robert; Van Praag, Herman M.
1994-01-01
Attempts to integrate findings on correlates of suicide and violent risk in terms of a theory called a two-stage model of countervailing forces, which assumes that the strength of aggressive impulses is modified by amplifiers and attenuators. The vectorial interaction of amplifiers and attenuators creates an unstable equilibrium making prediction…
Suicide Risk: Amplifiers and Attenuators.
ERIC Educational Resources Information Center
Plutchik, Robert; Van Praag, Herman M.
1994-01-01
Attempts to integrate findings on correlates of suicide and violent risk in terms of a theory called a two-stage model of countervailing forces, which assumes that the strength of aggressive impulses is modified by amplifiers and attenuators. The vectorial interaction of amplifiers and attenuators creates an unstable equilibrium making prediction…
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
NASA Astrophysics Data System (ADS)
Wosnik, M.; Bachant, P.
2014-12-01
Cross-flow turbines, often referred to as vertical-axis turbines, show potential for success in marine hydrokinetic (MHK) and wind energy applications, ranging from small- to utility-scale installations in tidal/ocean currents and offshore wind. As turbine designs mature, the research focus is shifting from individual devices to the optimization of turbine arrays. It would be expensive and time-consuming to conduct physical model studies of large arrays at large model scales (to achieve sufficiently high Reynolds numbers), and hence numerical techniques are generally better suited to explore the array design parameter space. However, since the computing power available today is not sufficient to conduct simulations of the flow in and around large arrays of turbines with fully resolved turbine geometries (e.g., grid resolution into the viscous sublayer on turbine blades), the turbines' interaction with the energy resource (water current or wind) needs to be parameterized, or modeled. Models used today--a common model is the actuator disk concept--are not able to predict the unique wake structure generated by cross-flow turbines. This wake structure has been shown to create "constructive" interference in some cases, improving turbine performance in array configurations, in contrast with axial-flow, or horizontal axis devices. Towards a more accurate parameterization of cross-flow turbines, an extensive experimental study was carried out using a high-resolution turbine test bed with wake measurement capability in a large cross-section tow tank. The experimental results were then "interpolated" using high-fidelity Navier--Stokes simulations, to gain insight into the turbine's near-wake. The study was designed to achieve sufficiently high Reynolds numbers for the results to be Reynolds number independent with respect to turbine performance and wake statistics, such that they can be reliably extrapolated to full scale and used for model validation. The end product of
NASA Astrophysics Data System (ADS)
Guerlet, Sandrine; Spiga, A.; Sylvestre, M.; Fouchet, T.; Millour, E.; Wordsworth, R.; Leconte, J.; Forget, F.
2013-10-01
Recent observations of Saturn’s stratospheric thermal structure and composition revealed new phenomena: an equatorial oscillation in temperature, reminiscent of the Earth's Quasi-Biennal Oscillation ; strong meridional contrasts of hydrocarbons ; a warm “beacon” associated with the powerful 2010 storm. Those signatures cannot be reproduced by 1D photochemical and radiative models and suggest that atmospheric dynamics plays a key role. This motivated us to develop a complete 3D General Circulation Model (GCM) for Saturn, based on the LMDz hydrodynamical core, to explore the circulation, seasonal variability, and wave activity in Saturn's atmosphere. In order to closely reproduce Saturn's radiative forcing, a particular emphasis was put in obtaining fast and accurate radiative transfer calculations. Our radiative model uses correlated-k distributions and spectral discretization tailored for Saturn's atmosphere. We include internal heat flux, ring shadowing and aerosols. We will report on the sensitivity of the model to spectral discretization, spectroscopic databases, and aerosol scenarios (varying particle sizes, opacities and vertical structures). We will also discuss the radiative effect of the ring shadowing on Saturn's atmosphere. We will present a comparison of temperature fields obtained with this new radiative equilibrium model to that inferred from Cassini/CIRS observations. In the troposphere, our model reproduces the observed temperature knee caused by heating at the top of the tropospheric aerosol layer. In the lower stratosphere (20mbar
modeled temperature is 5-10K too low compared to measurements. This suggests that processes other than radiative heating/cooling by trace
Polzer, S; Gasser, T C; Novak, K; Man, V; Tichy, M; Skacel, P; Bursa, J
2015-03-01
Structure-based constitutive models might help in exploring mechanisms by which arterial wall histology is linked to wall mechanics. This study aims to validate a recently proposed structure-based constitutive model. Specifically, the model's ability to predict mechanical biaxial response of porcine aortic tissue with predefined collagen structure was tested. Histological slices from porcine thoracic aorta wall (n=9) were automatically processed to quantify the collagen fiber organization, and mechanical testing identified the non-linear properties of the wall samples (n=18) over a wide range of biaxial stretches. Histological and mechanical experimental data were used to identify the model parameters of a recently proposed multi-scale constitutive description for arterial layers. The model predictive capability was tested with respect to interpolation and extrapolation. Collagen in the media was predominantly aligned in circumferential direction (planar von Mises distribution with concentration parameter bM=1.03 ± 0.23), and its coherence decreased gradually from the luminal to the abluminal tissue layers (inner media, b=1.54 ± 0.40; outer media, b=0.72 ± 0.20). In contrast, the collagen in the adventitia was aligned almost isotropically (bA=0.27 ± 0.11), and no features, such as families of coherent fibers, were identified. The applied constitutive model captured the aorta biaxial properties accurately (coefficient of determination R(2)=0.95 ± 0.03) over the entire range of biaxial deformations and with physically meaningful model parameters. Good predictive properties, well outside the parameter identification space, were observed (R(2)=0.92 ± 0.04). Multi-scale constitutive models equipped with realistic micro-histological data can predict macroscopic non-linear aorta wall properties. Collagen largely defines already low strain properties of media, which explains the origin of wall anisotropy seen at this strain level. The structure and mechanical
Bisection method for accurate modeling and simulation of fouling in hollow fiber membrane system.
Liang, Shuang; Zhao, Yubo; Zhang, Jian; Song, Lianfa
2017-06-01
Accurate description and modeling of fouling on hollow fibers imposes a serious challenge to more effective fouling mitigation and performance optimization of the membrane system. Although the governing equations for membrane fouling can be constructed based on the known theories from membrane filtration and fluid dynamics, they are unsolvable analytically due to the complex spatially and temporally varying nature of fouling on hollow fibers. The current available numerical solutions for the governing equations are either unreliable or inconvenient to use because of the uses of unfounded assumptions or cumbersome calculation methods. This work presented for the first time a rigorous numerical procedure to solve the governing equations for fouling development on hollow fibers. A critical step to achieve the goal is the use of bisection method to determine the transmembrane pressure at the dead end of the fibers. With this procedure, fouling behavior in the hollow fiber membrane system under a given condition can be simulated within a second. The model simulations were well calibrated and verified with the published experimental data from literature. Also presented in the paper were simulations for performances of the hollow fiber membrane system under various operation conditions. Graphical abstract ᅟ.
NASA Astrophysics Data System (ADS)
Walter, Johannes; Thajudeen, Thaseem; Süß, Sebastian; Segets, Doris; Peukert, Wolfgang
2015-04-01
Analytical centrifugation (AC) is a powerful technique for the characterisation of nanoparticles in colloidal systems. As a direct and absolute technique it requires no calibration or measurements of standards. Moreover, it offers simple experimental design and handling, high sample throughput as well as moderate investment costs. However, the full potential of AC for nanoparticle size analysis requires the development of powerful data analysis techniques. In this study we show how the application of direct boundary models to AC data opens up new possibilities in particle characterisation. An accurate analysis method, successfully applied to sedimentation data obtained by analytical ultracentrifugation (AUC) in the past, was used for the first time in analysing AC data. Unlike traditional data evaluation routines for AC using a designated number of radial positions or scans, direct boundary models consider the complete sedimentation boundary, which results in significantly better statistics. We demonstrate that meniscus fitting, as well as the correction of radius and time invariant noise significantly improves the signal-to-noise ratio and prevents the occurrence of false positives due to optical artefacts. Moreover, hydrodynamic non-ideality can be assessed by the residuals obtained from the analysis. The sedimentation coefficient distributions obtained by AC are in excellent agreement with the results from AUC. Brownian dynamics simulations were used to generate numerical sedimentation data to study the influence of diffusion on the obtained distributions. Our approach is further validated using polystyrene and silica nanoparticles. In particular, we demonstrate the strength of AC for analysing multimodal distributions by means of gold nanoparticles.
An Approach to More Accurate Model Systems for Purple Acid Phosphatases (PAPs).
Bernhardt, Paul V; Bosch, Simone; Comba, Peter; Gahan, Lawrence R; Hanson, Graeme R; Mereacre, Valeriu; Noble, Christopher J; Powell, Annie K; Schenk, Gerhard; Wadepohl, Hubert
2015-08-03
The active site of mammalian purple acid phosphatases (PAPs) have a dinuclear iron site in two accessible oxidation states (Fe(III)2 and Fe(III)Fe(II)), and the heterovalent is the active form, involved in the regulation of phosphate and phosphorylated metabolite levels in a wide range of organisms. Therefore, two sites with different coordination geometries to stabilize the heterovalent active form and, in addition, with hydrogen bond donors to enable the fixation of the substrate and release of the product, are believed to be required for catalytically competent model systems. Two ligands and their dinuclear iron complexes have been studied in detail. The solid-state structures and properties, studied by X-ray crystallography, magnetism, and Mössbauer spectroscopy, and the solution structural and electronic properties, investigated by mass spectrometry, electronic, nuclear magnetic resonance (NMR), electron paramagnetic resonance (EPR), and Mössbauer spectroscopies and electrochemistry, are discussed in detail in order to understand the structures and relative stabilities in solution. In particular, with one of the ligands, a heterovalent Fe(III)Fe(II) species has been produced by chemical oxidation of the Fe(II)2 precursor. The phosphatase reactivities of the complexes, in particular, also of the heterovalent complex, are reported. These studies include pH-dependent as well as substrate concentration dependent studies, leading to pH profiles, catalytic efficiencies and turnover numbers, and indicate that the heterovalent diiron complex discussed here is an accurate PAP model system.
Accurate modeling of cache replacement policies in a Data-Grid.
Otoo, Ekow J.; Shoshani, Arie
2003-01-23
Caching techniques have been used to improve the performance gap of storage hierarchies in computing systems. In data intensive applications that access large data files over wide area network environment, such as a data grid,caching mechanism can significantly improve the data access performance under appropriate workloads. In a data grid, it is envisioned that local disk storage resources retain or cache the data files being used by local application. Under a workload of shared access and high locality of reference, the performance of the caching techniques depends heavily on the replacement policies being used. A replacement policy effectively determines which set of objects must be evicted when space is needed. Unlike cache replacement policies in virtual memory paging or database buffering, developing an optimal replacement policy for data grids is complicated by the fact that the file objects being cached have varying sizes and varying transfer and processing costs that vary with time. We present an accurate model for evaluating various replacement policies and propose a new replacement algorithm referred to as ''Least Cost Beneficial based on K backward references (LCB-K).'' Using this modeling technique, we compare LCB-K with various replacement policies such as Least Frequently Used (LFU), Least Recently Used (LRU), Greedy DualSize (GDS), etc., using synthetic and actual workload of accesses to and from tertiary storage systems. The results obtained show that (LCB-K) and (GDS) are the most cost effective cache replacement policies for storage resource management in data grids.
Walter, Johannes; Thajudeen, Thaseem; Süss, Sebastian; Segets, Doris; Peukert, Wolfgang
2015-04-21
Analytical centrifugation (AC) is a powerful technique for the characterisation of nanoparticles in colloidal systems. As a direct and absolute technique it requires no calibration or measurements of standards. Moreover, it offers simple experimental design and handling, high sample throughput as well as moderate investment costs. However, the full potential of AC for nanoparticle size analysis requires the development of powerful data analysis techniques. In this study we show how the application of direct boundary models to AC data opens up new possibilities in particle characterisation. An accurate analysis method, successfully applied to sedimentation data obtained by analytical ultracentrifugation (AUC) in the past, was used for the first time in analysing AC data. Unlike traditional data evaluation routines for AC using a designated number of radial positions or scans, direct boundary models consider the complete sedimentation boundary, which results in significantly better statistics. We demonstrate that meniscus fitting, as well as the correction of radius and time invariant noise significantly improves the signal-to-noise ratio and prevents the occurrence of false positives due to optical artefacts. Moreover, hydrodynamic non-ideality can be assessed by the residuals obtained from the analysis. The sedimentation coefficient distributions obtained by AC are in excellent agreement with the results from AUC. Brownian dynamics simulations were used to generate numerical sedimentation data to study the influence of diffusion on the obtained distributions. Our approach is further validated using polystyrene and silica nanoparticles. In particular, we demonstrate the strength of AC for analysing multimodal distributions by means of gold nanoparticles.
Mehra, Tarun; Koljonen, Virve; Seifert, Burkhardt; Volbracht, Jörk; Giovanoli, Pietro; Plock, Jan; Moos, Rudolf Maria
2015-01-01
Reimbursement systems have difficulties depicting the actual cost of burn treatment, leaving care providers with a significant financial burden. Our aim was to establish a simple and accurate reimbursement model compatible with prospective payment systems. A total of 370 966 electronic medical records of patients discharged in 2012 to 2013 from Swiss university hospitals were reviewed. A total of 828 cases of burns including 109 cases of severe burns were retained. Costs, revenues and earnings for severe and nonsevere burns were analysed and a linear regression model predicting total inpatient treatment costs was established. The median total costs per case for severe burns was tenfold higher than for nonsevere burns (179 949 CHF [167 353 EUR] vs 11 312 CHF [10 520 EUR], interquartile ranges 96 782-328 618 CHF vs 4 874-27 783 CHF, p <0.001). The median of earnings per case for nonsevere burns was 588 CHF (547 EUR) (interquartile range -6 720 - 5 354 CHF) whereas severe burns incurred a large financial loss to care providers, with median earnings of -33 178 CHF (30 856 EUR) (interquartile range -95 533 - 23 662 CHF). Differences were highly significant (p <0.001). Our linear regression model predicting total costs per case with length of stay (LOS) as independent variable had an adjusted R2 of 0.67 (p <0.001 for LOS). Severe burns are systematically underfunded within the Swiss reimbursement system. Flat-rate DRG-based refunds poorly reflect the actual treatment costs. In conclusion, we suggest a reimbursement model based on a per diem rate for treatment of severe burns.
Robichaud, Guillaume; Dixon, R. Brent; Potturi, Amarnatha S.; Cassidy, Dan; Edwards, Jack R.; Sohn, Alex; Dow, Thomas A.; Muddiman, David C.
2010-01-01
Through a multi-disciplinary approach, the air amplifier is being evolved as a highly engineered device to improve detection limits of biomolecules when using electrospray ionization. Several key aspects have driven the modifications to the device through experimentation and simulations. We have developed a computer simulation that accurately portrays actual conditions and the results from these simulations are corroborated by the experimental data. These computer simulations can be used to predict outcomes from future designs resulting in a design process that is efficient in terms of financial cost and time. We have fabricated a new device with annular gap control over a range of 50 to 70 μm using piezoelectric actuators. This has enabled us to obtain better aerodynamic performance when compared to the previous design (2× more vacuum) and also more reproducible results. This is allowing us to study a broader experimental space than the previous design which is critical in guiding future directions. This work also presents and explains the principles behind a fractional factorial design of experiments methodology for testing a large number of experimental parameters in an orderly and efficient manner to understand and optimize the critical parameters that lead to obtain improved detection limits while minimizing the number of experiments performed. Preliminary results showed that several folds of improvements could be obtained for certain condition of operations (up to 34 folds). PMID:21499524
Robichaud, Guillaume; Dixon, R Brent; Potturi, Amarnatha S; Cassidy, Dan; Edwards, Jack R; Sohn, Alex; Dow, Thomas A; Muddiman, David C
2011-03-01
Through a multi-disciplinary approach, the air amplifier is being evolved as a highly engineered device to improve detection limits of biomolecules when using electrospray ionization. Several key aspects have driven the modifications to the device through experimentation and simulations. We have developed a computer simulation that accurately portrays actual conditions and the results from these simulations are corroborated by the experimental data. These computer simulations can be used to predict outcomes from future designs resulting in a design process that is efficient in terms of financial cost and time. We have fabricated a new device with annular gap control over a range of 50 to 70 μm using piezoelectric actuators. This has enabled us to obtain better aerodynamic performance when compared to the previous design (2× more vacuum) and also more reproducible results. This is allowing us to study a broader experimental space than the previous design which is critical in guiding future directions. This work also presents and explains the principles behind a fractional factorial design of experiments methodology for testing a large number of experimental parameters in an orderly and efficient manner to understand and optimize the critical parameters that lead to obtain improved detection limits while minimizing the number of experiments performed. Preliminary results showed that several folds of improvements could be obtained for certain condition of operations (up to 34 folds).
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
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
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
PredSTP: a highly accurate SVM based model to predict sequential cystine stabilized peptides.
Islam, S M Ashiqul; Sajed, Tanvir; Kearney, Christopher Michel; Baker, Erich J
2015-07-05
Numerous organisms have evolved a wide range of toxic peptides for self-defense and predation. Their effective interstitial and macro-environmental use requires energetic and structural stability. One successful group of these peptides includes a tri-disulfide domain arrangement that offers toxicity and high stability. Sequential tri-disulfide connectivity variants create highly compact disulfide folds capable of withstanding a variety of environmental stresses. Their combination of toxicity and stability make these peptides remarkably valuable for their potential as bio-insecticides, antimicrobial peptides and peptide drug candidates. However, the wide sequence variation, sources and modalities of group members impose serious limitations on our ability to rapidly identify potential members. As a result, there is a need for automated high-throughput member classification approaches that leverage their demonstrated tertiary and functional homology. We developed an SVM-based model to predict sequential tri-disulfide peptide (STP) toxins from peptide sequences. One optimized model, called PredSTP, predicted STPs from training set with sensitivity, specificity, precision, accuracy and a Matthews correlation coefficient of 94.86%, 94.11%, 84.31%, 94.30% and 0.86, respectively, using 200 fold cross validation. The same model outperforms existing prediction approaches in three independent out of sample testsets derived from PDB. PredSTP can accurately identify a wide range of cystine stabilized peptide toxins directly from sequences in a species-agnostic fashion. The ability to rapidly filter sequences for potential bioactive peptides can greatly compress the time between peptide identification and testing structural and functional properties for possible antimicrobial and insecticidal candidates. A web interface is freely available to predict STP toxins from http://crick.ecs.baylor.edu/.
SPARC: Mass Models for 175 Disk Galaxies with Spitzer Photometry and Accurate Rotation Curves
NASA Astrophysics Data System (ADS)
Lelli, Federico; McGaugh, Stacy S.; Schombert, James M.
2016-12-01
We introduce SPARC (Spitzer Photometry and Accurate Rotation Curves): a sample of 175 nearby galaxies with new surface photometry at 3.6 μm and high-quality rotation curves from previous H i/Hα studies. SPARC spans a broad range of morphologies (S0 to Irr), luminosities (∼5 dex), and surface brightnesses (∼4 dex). We derive [3.6] surface photometry and study structural relations of stellar and gas disks. We find that both the stellar mass–H i mass relation and the stellar radius–H i radius relation have significant intrinsic scatter, while the H i mass–radius relation is extremely tight. We build detailed mass models and quantify the ratio of baryonic to observed velocity (V bar/V obs) for different characteristic radii and values of the stellar mass-to-light ratio (ϒ⋆) at [3.6]. Assuming ϒ⋆ ≃ 0.5 M ⊙/L ⊙ (as suggested by stellar population models), we find that (i) the gas fraction linearly correlates with total luminosity (ii) the transition from star-dominated to gas-dominated galaxies roughly corresponds to the transition from spiral galaxies to dwarf irregulars, in line with density wave theory; and (iii) V bar/V obs varies with luminosity and surface brightness: high-mass, high-surface-brightness galaxies are nearly maximal, while low-mass, low-surface-brightness galaxies are submaximal. These basic properties are lost for low values of ϒ⋆ ≃ 0.2 M ⊙/L ⊙ as suggested by the DiskMass survey. The mean maximum-disk limit in bright galaxies is ϒ⋆ ≃ 0.7 M ⊙/L ⊙ at [3.6]. The SPARC data are publicly available and represent an ideal test bed for models of galaxy formation.
Ensemble predictive model for more accurate soil organic carbon spectroscopic estimation
NASA Astrophysics Data System (ADS)
Vašát, Radim; Kodešová, Radka; Borůvka, Luboš
2017-07-01
A myriad of signal pre-processing strategies and multivariate calibration techniques has been explored in attempt to improve the spectroscopic prediction of soil organic carbon (SOC) over the last few decades. Therefore, to come up with a novel, more powerful, and accurate predictive approach to beat the rank becomes a challenging task. However, there may be a way, so that combine several individual predictions into a single final one (according to ensemble learning theory). As this approach performs best when combining in nature different predictive algorithms that are calibrated with structurally different predictor variables, we tested predictors of two different kinds: 1) reflectance values (or transforms) at each wavelength and 2) absorption feature parameters. Consequently we applied four different calibration techniques, two per each type of predictors: a) partial least squares regression and support vector machines for type 1, and b) multiple linear regression and random forest for type 2. The weights to be assigned to individual predictions within the ensemble model (constructed as a weighted average) were determined by an automated procedure that ensured the best solution among all possible was selected. The approach was tested at soil samples taken from surface horizon of four sites differing in the prevailing soil units. By employing the ensemble predictive model the prediction accuracy of SOC improved at all four sites. The coefficient of determination in cross-validation (R2cv) increased from 0.849, 0.611, 0.811 and 0.644 (the best individual predictions) to 0.864, 0.650, 0.824 and 0.698 for Site 1, 2, 3 and 4, respectively. Generally, the ensemble model affected the final prediction so that the maximal deviations of predicted vs. observed values of the individual predictions were reduced, and thus the correlation cloud became thinner as desired.
Modeling of Non-Gravitational Forces for Precise and Accurate Orbit Determination
NASA Astrophysics Data System (ADS)
Hackel, Stefan; Gisinger, Christoph; Steigenberger, Peter; Balss, Ulrich; Montenbruck, Oliver; Eineder, Michael
2014-05-01
Remote sensing satellites support a broad range of scientific and commercial applications. The two radar imaging satellites TerraSAR-X and TanDEM-X provide spaceborne Synthetic Aperture Radar (SAR) and interferometric SAR data with a very high accuracy. The precise reconstruction of the satellite's trajectory is based on the Global Positioning System (GPS) measurements from a geodetic-grade dual-frequency Integrated Geodetic and Occultation Receiver (IGOR) onboard the spacecraft. The increasing demand for precise radar products relies on validation methods, which require precise and accurate orbit products. An analysis of the orbit quality by means of internal and external validation methods on long and short timescales shows systematics, which reflect deficits in the employed force models. Following the proper analysis of this deficits, possible solution strategies are highlighted in the presentation. The employed Reduced Dynamic Orbit Determination (RDOD) approach utilizes models for gravitational and non-gravitational forces. A detailed satellite macro model is introduced to describe the geometry and the optical surface properties of the satellite. Two major non-gravitational forces are the direct and the indirect Solar Radiation Pressure (SRP). The satellite TerraSAR-X flies on a dusk-dawn orbit with an altitude of approximately 510 km above ground. Due to this constellation, the Sun almost constantly illuminates the satellite, which causes strong across-track accelerations on the plane rectangular to the solar rays. The indirect effect of the solar radiation is called Earth Radiation Pressure (ERP). This force depends on the sunlight, which is reflected by the illuminated Earth surface (visible spectra) and the emission of the Earth body in the infrared spectra. Both components of ERP require Earth models to describe the optical properties of the Earth surface. Therefore, the influence of different Earth models on the orbit quality is assessed. The scope of
NASA Astrophysics Data System (ADS)
Bengulescu, Marc; Blanc, Philippe; Boilley, Alexandre; Wald, Lucien
2017-02-01
This study investigates the characteristic time-scales of variability found in long-term time-series of daily means of estimates of surface solar irradiance (SSI). The study is performed at various levels to better understand the causes of variability in the SSI. First, the variability of the solar irradiance at the top of the atmosphere is scrutinized. Then, estimates of the SSI in cloud-free conditions as provided by the McClear model are dealt with, in order to reveal the influence of the clear atmosphere (aerosols, water vapour, etc.). Lastly, the role of clouds on variability is inferred by the analysis of in-situ measurements. A description of how the atmosphere affects SSI variability is thus obtained on a time-scale basis. The analysis is also performed with estimates of the SSI provided by the satellite-derived HelioClim-3 database and by two numerical weather re-analyses: ERA-Interim and MERRA2. It is found that HelioClim-3 estimates render an accurate picture of the variability found in ground measurements, not only globally, but also with respect to individual characteristic time-scales. On the contrary, the variability found in re-analyses correlates poorly with all scales of ground measurements variability.
Chacko, Nikhil; Liebling, Michael; Blu, Thierry
2013-10-01
Discretization of continuous (analog) convolution operators by direct sampling of the convolution kernel and use of fast Fourier transforms is highly efficient. However, it assumes the input and output signals are band-limited, a condition rarely met in practice, where signals have finite support or abrupt edges and sampling is nonideal. Here, we propose to approximate signals in analog, shift-invariant function spaces, which do not need to be band-limited, resulting in discrete coefficients for which we derive discrete convolution kernels that accurately model the analog convolution operator while taking into account nonideal sampling devices (such as finite fill-factor cameras). This approach retains the efficiency of direct sampling but not its limiting assumption. We propose fast forward and inverse algorithms that handle finite-length, periodic, and mirror-symmetric signals with rational sampling rates. We provide explicit convolution kernels for computing coherent wave propagation in the context of digital holography. When compared to band-limited methods in simulations, our method leads to fewer reconstruction artifacts when signals have sharp edges or when using nonideal sampling devices.
Dai, Daoxin; He, Sailing
2004-12-01
An accurate two-dimensional (2D) model is introduced for the simulation of an arrayed-waveguide grating (AWG) demultiplexer by integrating the field distribution along the vertical direction. The equivalent 2D model has almost the same accuracy as the original three-dimensional model and is more accurate for the AWG considered here than the conventional 2D model based on the effective-index method. To further improve the computational efficiency, the reciprocity theory is applied to the optimal design of a flat-top AWG demultiplexer with a special input structure.
Truong, Luan D.; Trostel, Jessica; Garcia, Gabriela E.
2015-01-01
Inflammation is regulated by endogenous mechanisms, including anti-inflammatory cytokines, adenosine, and the nicotinic acetylcholine receptor α7 subunit (α7nAChR). We investigated the role of α7nAChR in protection against the progression of tissue injury in a model of severe, macrophage-mediated, cytokine-dependent anti-glomerular basement membrane (GBM) glomerulonephritis (GN), in α7nAChR-deficient (α7−/−) mice . At d 7 after the injection of anti-GBM antibody, kidneys from α7−/− mice displayed severe glomeruli (P < 0.0001) and tubulointerstitial lesions (P < 0.001) compared to kidneys from WT mice. An important finding was the presence of severe glomerulosclerosis in α7−/− mice in this early phase of the disease. Kidneys of α7−/− mice showed greater accumulation of inflammatory cells and higher expression of chemokines and cytokines than did those of WT mice. In addition, in α7−/− fibrotic kidneys, the expression of fibrin, collagen, TGF-β, and tissue inhibitor of metalloproteinase (TIMP)-2 increased, and the expression of TIMP3 declined. The increase in counterregulatory responses to inflammation in α7−/− nephritic kidneys did not compensate for the lack of α7nAChR. These findings indicate that α7nAChR plays a key role in regulating the inflammatory response in anti-GBM GN and that disruption of the endogenous protective α7nAChR amplifies inflammation to accelerate kidney damage and fibrosis.—Truong, L. D., Trostel. J., Garcia, G. E. Absence of nicotinic acetylcholine receptor α7 subunit amplifies inflammation and accelerates onset of fibrosis: an inflammatory kidney model. PMID:25985801
A simple and accurate model for Love wave based sensors: Dispersion equation and mass sensitivity
NASA Astrophysics Data System (ADS)
Liu, Jiansheng
2014-07-01
Dispersion equation is an important tool for analyzing propagation properties of acoustic waves in layered structures. For Love wave (LW) sensors, the dispersion equation with an isotropic-considered substrate is too rough to get accurate solutions; the full dispersion equation with a piezoelectric-considered substrate is too complicated to get simple and practical expressions for optimizing LW-based sensors. In this work, a dispersion equation is introduced for Love waves in a layered structure with an anisotropic-considered substrate and an isotropic guiding layer; an intuitive expression for mass sensitivity is also derived based on the dispersion equation. The new equations are in simple forms similar to the previously reported simplified model with an isotropic substrate. By introducing the Maxwell-Weichert model, these equations are also applicable to the LW device incorporating a viscoelastic guiding layer; the mass velocity sensitivity and the mass propagation loss sensitivity are obtained from the real part and the imaginary part of the complex mass sensitivity, respectively. With Love waves in an elastic SiO2 layer on an ST-90°X quartz structure, for example, comparisons are carried out between the velocities and normalized sensitivities calculated by using different dispersion equations and corresponding mass sensitivities. Numerical results of the method presented in this work are very close to those of the method with a piezoelectric-considered substrate. Another numerical calculation is carried out for the case of a LW sensor with a viscoelastic guiding layer. If the viscosity of the layer is not too big, the effect on the real part of the velocity and the mass velocity sensitivity is relatively small; the propagation loss and the mass loss sensitivity are proportional to the viscosity of the guiding layer.
Stable, accurate and efficient computation of normal modes for horizontal stratified models
NASA Astrophysics Data System (ADS)
Wu, Bo; Chen, Xiaofei
2016-08-01
We propose an adaptive root-determining strategy that is very useful when dealing with trapped modes or Stoneley modes whose energies become very insignificant on the free surface in the presence of low-velocity layers or fluid layers in the model. Loss of modes in these cases or inaccuracy in the calculation of these modes may then be easily avoided. Built upon the generalized reflection/transmission coefficients, the concept of `family of secular functions' that we herein call `adaptive mode observers' is thus naturally introduced to implement this strategy, the underlying idea of which has been distinctly noted for the first time and may be generalized to other applications such as free oscillations or applied to other methods in use when these cases are encountered. Additionally, we have made further improvements upon the generalized reflection/transmission coefficient method; mode observers associated with only the free surface and low-velocity layers (and the fluid/solid interface if the model contains fluid layers) are adequate to guarantee no loss and high precision at the same time of any physically existent modes without excessive calculations. Finally, the conventional definition of the fundamental mode is reconsidered, which is entailed in the cases under study. Some computational aspects are remarked on. With the additional help afforded by our superior root-searching scheme and the possibility of speeding calculation using a less number of layers aided by the concept of `turning point', our algorithm is remarkably efficient as well as stable and accurate and can be used as a powerful tool for widely related applications.
NASA Astrophysics Data System (ADS)
Lachaume, Regis; Rabus, Markus; Jordan, Andres
2015-08-01
In stellar interferometry, the assumption that the observables can be seen as Gaussian, independent variables is the norm. In particular, neither the optical interferometry FITS (OIFITS) format nor the most popular fitting software in the field, LITpro, offer means to specify a covariance matrix or non-Gaussian uncertainties. Interferometric observables are correlated by construct, though. Also, the calibration by an instrumental transfer function ensures that the resulting observables are not Gaussian, even if uncalibrated ones happened to be so.While analytic frameworks have been published in the past, they are cumbersome and there is no generic implementation available. We propose here a relatively simple way of dealing with correlated errors without the need to extend the OIFITS specification or making some Gaussian assumptions. By repeatedly picking at random which interferograms, which calibrator stars, and which are the errors on their diameters, and performing the data processing on the bootstrapped data, we derive a sampling of p(O), the multivariate probability density function (PDF) of the observables O. The results can be stored in a normal OIFITS file. Then, given a model m with parameters P predicting observables O = m(P), we can estimate the PDF of the model parameters f(P) = p(m(P)) by using a density estimation of the observables' PDF p.With observations repeated over different baselines, on nights several days apart, and with a significant set of calibrators systematic errors are de facto taken into account. We apply the technique to a precise and accurate assessment of stellar diameters obtained at the Very Large Telescope Interferometer with PIONIER.
NASA Astrophysics Data System (ADS)
Sayyah, Rana; Hunt, Mitchell; Ho, Fat D.
2013-08-01
In this paper, Part II of the authors' paper [1], the physically-derived nonquasi-static model presented in [1] is applied to the ferroelectric common-source and common-gate amplifiers. The model is based on the method of partitioned channel and ferroelectric layers and is valid in accumulation, depletion, and all three cases of inversion: weak, moderate, and strong. The equations of this model are based on the standard MOSFET equations that have been adapted to include the ferroelectric properties. The model code is written in MATLAB and outputs voltage plots with respect to time. The accuracy and effectiveness of the model are verified by two test cases, where the modeled results are compared to empirically-derived oscilloscope plots.
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
nighttime to well mixed conditions during the day presents a big challenge to NWP models. Fast decrease and successive increase in hub-height wind speed after sunrise, and the formation of nocturnal low level jets will be discussed. For PV, the life cycle of low stratus clouds and fog is crucial. Capturing these processes correctly depends on the accurate simulation of diffusion or vertical momentum transport and the interaction with other atmospheric and soil processes within the numerical weather model. Results from Single Column Model simulations and 3d case studies will be presented. Emphasis is placed on wind forecasts; however, some references to highlights concerning the PV-developments will also be given. *) ORKA: Optimierung von Ensembleprognosen regenerativer Einspeisung für den Kürzestfristbereich am Anwendungsbeispiel der Netzsicherheitsrechnungen **) EWeLiNE: Erstellung innovativer Wetter- und Leistungsprognosemodelle für die Netzintegration wetterabhängiger Energieträger, www.projekt-eweline.de
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.
Toward accurate tooth segmentation from computed tomography images using a hybrid level set model
Gan, Yangzhou; Zhao, Qunfei; Xia, Zeyang E-mail: jing.xiong@siat.ac.cn; Hu, Ying; Xiong, Jing E-mail: jing.xiong@siat.ac.cn; Zhang, Jianwei
2015-01-15
Purpose: A three-dimensional (3D) model of the teeth provides important information for orthodontic diagnosis and treatment planning. Tooth segmentation is an essential step in generating the 3D digital model from computed tomography (CT) images. The aim of this study is to develop an accurate and efficient tooth segmentation method from CT images. Methods: The 3D dental CT volumetric images are segmented slice by slice in a two-dimensional (2D) transverse plane. The 2D segmentation is composed of a manual initialization step and an automatic slice by slice segmentation step. In the manual initialization step, the user manually picks a starting slice and selects a seed point for each tooth in this slice. In the automatic slice segmentation step, a developed hybrid level set model is applied to segment tooth contours from each slice. Tooth contour propagation strategy is employed to initialize the level set function automatically. Cone beam CT (CBCT) images of two subjects were used to tune the parameters. Images of 16 additional subjects were used to validate the performance of the method. Volume overlap metrics and surface distance metrics were adopted to assess the segmentation accuracy quantitatively. The volume overlap metrics were volume difference (VD, mm{sup 3}) and Dice similarity coefficient (DSC, %). The surface distance metrics were average symmetric surface distance (ASSD, mm), RMS (root mean square) symmetric surface distance (RMSSSD, mm), and maximum symmetric surface distance (MSSD, mm). Computation time was recorded to assess the efficiency. The performance of the proposed method has been compared with two state-of-the-art methods. Results: For the tested CBCT images, the VD, DSC, ASSD, RMSSSD, and MSSD for the incisor were 38.16 ± 12.94 mm{sup 3}, 88.82 ± 2.14%, 0.29 ± 0.03 mm, 0.32 ± 0.08 mm, and 1.25 ± 0.58 mm, respectively; the VD, DSC, ASSD, RMSSSD, and MSSD for the canine were 49.12 ± 9.33 mm{sup 3}, 91.57 ± 0.82%, 0.27 ± 0.02 mm, 0
Watson, Charles M; Francis, Gamal R
2015-07-01
Hollow copper models painted to match the reflectance of the animal subject are standard in thermal ecology research. While the copper electroplating process results in accurate models, it is relatively time consuming, uses caustic chemicals, and the models are often anatomically imprecise. Although the decreasing cost of 3D printing can potentially allow the reproduction of highly accurate models, the thermal performance of 3D printed models has not been evaluated. We compared the cost, accuracy, and performance of both copper and 3D printed lizard models and found that the performance of the models were statistically identical in both open and closed habitats. We also find that 3D models are more standard, lighter, durable, and inexpensive, than the copper electroformed models. Copyright © 2015 Elsevier Ltd. All rights reserved.
Valves Based on Amplified Piezoelectric Actuators
NASA Astrophysics Data System (ADS)
Le Letty, R.; Lhermet, N.; Patient, G.; Claeyssen, F.; Lang, M.
2004-10-01
Amplified Piezo Actuators have been developed at CEDRAT TECHNOLOGIES for several years and found several applications in space. Their well-known advantages (rapid response and precise positioning) have been used in valve designs to obtain either rapid or fine proportional valves. A first gas valve is using a small amplified piezo actuator and is further driven with a switched amplifier to get a high frequency modulation. A frequency modulation higher than 400 Hz with a stroke of 100 m has been measured. These properties can also be used for gasoline injectors. A second gas valve is also using an amplified piezo actuator, a linear amplifier, and a servo controller to get an accurate proportional valve dedicated to precise gas flow control in the fields of instrumentation and space. A linear and stable flow control has been demonstrated. The low power consumption of the piezoelectric valve in the space applications is an additional advantage. A stable flow of dry Nitrogen ranging from 0.1 sccm to 200 sccm has been measured with an inlet pressure of 1 bar. These valves have been designed with the help of several modelling tools: finite element procedure for the electro-mechanical part, the contact mechanics between the poppet and the seat, the computational fluid dynamics. The valves have been further measured by using several measuring equipment's, including a laser interferometer, a spectrum analyser to measure the gas flow stability, Thermal vacuum and leak tests have also been performed. A special emphasis is realised on the driving and control aspects of this valve for space applications.
Modeling trait depression amplifies the effect of childbearing on postpartum depression.
Merkitch, Kristen G; Jonas, Katherine G; O'Hara, Michael W
2017-12-01
The literature on the relative risk for depression in the postpartum period has largely focused on state (or episodic) depression, and has not addressed trait depression (a woman's general tendency to experience depressed mood). The present study evaluates the association between childbirth and depression in the postpartum period, taking into account the role of stable differences in women's vulnerability for depression across a 10-year span. Data from the National Longitudinal Survey of Youth 1997 Cohort (N = 4385) were used. The recency of childbirth was used as a predictor of state depression in two models: one that modeled stable depressive symptoms over time (a multi-state single-trait model; LST), and one that did not (an autoregressive cross-lagged model; ARM). Modeling trait depression, in addition to state depression, improved model fit and had the effect of increasing the magnitude of the association between childbirth and state depression in the postpartum period. The secondary nature of the data limited the complexity of analyses (e.g., models with multivariate predictors were not possible), as the data were not collected with the present study in mind. These findings may reflect the fact that some of the covariance between childbirth and episodic depression is obscured by the effect of trait depression, and it is not until trait depression is explicitly modeled that the magnitude of the relationship between childbirth and depression becomes clear. Copyright © 2017 Elsevier B.V. All rights reserved.
Low cost instrumentation amplifier
NASA Technical Reports Server (NTRS)
Sturman, J. C.
1974-01-01
Amplifier can be used for many applications requiring high input impedance and common mode rejection, low drift, and gain accuracy on order of one percent. Performance of inexpensive amplifier approaches that of some commercial instrumentation amplifiers in many specifications.
Landauer-Datta-Lundstrom model for terahertz transistor amplifier based on graphene
NASA Astrophysics Data System (ADS)
Davidovich, M. V.
2017-08-01
A transistor has been considered in the form of three electrodes connected by graphene ribbons or by metal quantum wires (nanowires) that operate on the principle of the current control by the changing voltage at the central electrode (gate). The analysis has been carried out according to the Landauer-Datta-Lundstrom model in equilibrium approximation for electrodes while fixing their potentials. We have obtained linear models and nonlinear terms in the determining current, and calculated the nonlinear current-voltage performances of graphene nanoribbons.
USDA-ARS?s Scientific Manuscript database
The three evapotranspiration (ET) measurement/retrieval techniques used in this study, lysimeter, scintillometer and remote sensing vary in their level of complexity, accuracy, resolution and applicability. The lysimeter with its point measurement is the most accurate and direct method to measure ET...
NASA Astrophysics Data System (ADS)
Butkowski, Łukasz; Vogel, Vladimir; Schlarb, Holger; Szabatin, Jerzy
2017-06-01
The driving engine of the superconducting accelerator of the European X-ray free electron laser (XFEL) is a set of 27 radio frequency (RF) stations. Each of the underground RF stations consists of a multibeam horizontal klystron that can provide up to 10 MW of power at 1.3 GHz. Klystrons are sensitive devices with a limited lifetime and a high mean time between failures. In real operation, the lifetime of the tube can be significantly reduced because of failures. The special fast protection klystron lifetime management (KLM) system has been developed to minimize the influence of service conditions on the lifetime of klystrons. The main task of this system is to detect all events which can destroy the tube as quickly as possible, and switch off the driving RF signal or the high voltage. Detection of events is based on a comparison of the value of the real signal obtained at the system output with the value estimated on the basis of a high-power RF amplifier model and input signals. The KLM system has been realized in field-programmable gate array (FPGA) and implemented in XFEL. Implementation is based on the standard low-level RF micro telecommunications computing architecture (MTCA.4 or xTCA). The main part of the paper focuses on an estimation of the klystron model and the implementation of KLM in FPGA. The results of the performance of the KLM system will also be presented.
Andrianov, Alexey; Szabo, Aron; Sergeev, Alexander; Kim, Arkady; Chvykov, Vladimir; Kalashnikov, Mikhail
2016-11-14
We developed an improved approach to calculate the Fourier transform of signals with arbitrary large quadratic phase which can be efficiently implemented in numerical simulations utilizing Fast Fourier transform. The proposed algorithm significantly reduces the computational cost of Fourier transform of a highly chirped and stretched pulse by splitting it into two separate transforms of almost transform limited pulses, thereby reducing the required grid size roughly by a factor of the pulse stretching. The application of our improved Fourier transform algorithm in the split-step method for numerical modeling of CPA and OPCPA shows excellent agreement with standard algorithms.
Koch, Martin; Eβinger, Till Moritz; Bornitz, Matthias; Zahnert, Thomas
2014-01-01
Implantable assembly components that are biocompatible and highly miniaturized are an important objective for hearing aid development. We introduce a mechanical transducer, which could be suitable as part of a prospective fully-implantable hearing aid. The transducer comprises a sensor and an actuator unit in one housing, located in the joint gap between the middle ear ossicles, the incus and stapes. The setup offers the advantage of a minimally invasive and reversible surgical solution. However, feedback between actuator and sensor due to mechanical coupling limits the available stable gain. We show that the system can be stabilized by digital control algorithms. The transducer is tested both in a finite elements method simulation of the middle ear and a physical model of a human middle ear. First, we characterize the sensor and actuator elements separately. Then, the maximum stable gain (MSG) of the whole transducer is experimentally determined in the middle ear model. With digital feedback control (using a least mean squares algorithm) in place, the total signal gain is greater than 30 dB for frequencies of 1 kHz and above. This shows the potential of the transducer as a high frequency hearing aid. PMID:25106020
Modeling of dense injection-seeded Ni-like Krypton plasma amplifiers
NASA Astrophysics Data System (ADS)
Oliva, Eduardo; Depresseux, Adrien; Tissandier, Fabien; Gautier, Julien; Sebban, Stéphane; Maynard, Gilles
2015-09-01
One promising way to reach ultra-short soft X-ray lasers is to guide an intense infrared pulse through a plasma channel generated in a high pressure gas. However, in such a case, strong non-linear effects, as overionizationinduced refraction and self-focusing, hinder the propagation of the laser beam and thus the creation of the lasing ion and the population inversion. Using a particle-in-cell (PIC) code and a ray-tracing model, we demonstrate that a stable self-regulation mechanism between self-focusing and overionization appears, which enables guiding the infrared beam over several milimetres, well beyond the saturation length for amplification of the soft X-ray laser.
CD97 amplifies LPA receptor signaling and promotes thyroid cancer progression in a mouse model.
Ward, Y; Lake, R; Martin, P L; Killian, K; Salerno, P; Wang, T; Meltzer, P; Merino, M; Cheng, S-y; Santoro, M; Garcia-Rostan, G; Kelly, K
2013-05-30
CD97, a member of the adhesion family of G-protein-coupled receptors (GPCRs), complexes with and potentiates lysophosphatidic acid (LPA) receptor signaling to the downstream effector RHOA. We show here that CD97 was expressed in a majority of thyroid cancers but not normal thyroid epithelium and that the level of CD97 expression was further elevated with progression to poorly differentiated and undifferentiated carcinoma. Intratumoral progression also showed that CD97 expression correlates with invasiveness and dedifferentiation. To determine the functional role of CD97, we produced a transgenic model of thyroglobulin promoter-driven CD97 expression. Transgenic CD97 in combination with Thrb(PV), an established mouse model of thyroid follicular cell carcinogenesis, significantly increased the occurrence of vascular invasion and lung metastasis. Expression of transgenic CD97 in thyroid epithelium led to elevated ERK phosphorylation and increased numbers of Ki67+ cells in developing tumors. In addition, tumor cell cultures derived from CD97 transgenic as compared with non-transgenic mice demonstrated enhanced, constitutive and LPA-stimulated ERK activation. In human thyroid cancer cell lines, CD97 depletion reduced RHO-GTP and decreased LPA-stimulated invasion but not EGF-stimulated invasion, further suggesting that CD97 influences an LPA-associated mechanism of progression. Consistent with the above, CD97 expression in human thyroid cancers correlated with LPA receptor and markers of aggressiveness including Ki67 and pAKT. This study shows an autonomous effect of CD97 on thyroid cancer progression and supports the investigation of this GPCR as a therapeutic target for these cancers.
NASA Astrophysics Data System (ADS)
Aberle, James T.; Pozar, David M.; Birtcher, Craig R.
1991-12-01
Input impedance and radar cross section results for probe-fed single rectangular and circular microstrip patch elements obtained using an accurate and efficient numerical model are presented. The model uses a full-wave Green's function/Galerkin solution in which the connection of a vertical probe feed to the patch is rigorously included in the analysis by use of a special basis function called the attachment mode, which is derived from the corresponding cavity model solution. Comparisons with measured input impedance and monostatic radar cross section data demonstrate the efficacy of the theory. This model accurately predicts the performance of probe-fed patches printed on thick and/or high dielectric constant substrates and patch elements with more than one probe feed, cases where other less rigorous models fail.
Neilson, Lora A; Kovalyov, Mikhail; Koles, Zoltan J
2005-10-01
Solution of the forward problem using realistic head models is necessary for accurate EEG source analysis. Realistic models are usually derived from volumetric magnetic resonance images that provide a voxel resolution of about 1 mm3. Electrical models could, therefore contain, for a normal adult head, over 4 million elements. Solution of the forward problem using models of this magnitude has so far been impractical due to issues of computation time and memory. A preconditioner is proposed for the conjugate-gradient method that enables the forward problem to be solved using head models of this magnitude. It is applied to the system matrix constructed from the head anatomy using finite differences. The preconditioner is not computed explicitly and so is very efficient in terms of memory utilization. Using a spherical head model discretized into over 4 million volumes, we have been able to obtain accurate forward solutions in about 60 min on a 1 GHz Pentium III. L2 accuracy of the solutions was better than 2%. Accurate solution of the forward problem in EEG in a finely discretized head model is practical in terms of computation time and memory. The results represent an important step in head modeling for EEG source analysis.
Leavitt, M.A.; Lutz, I.C.
1958-08-01
An amplifier circuit is described for amplifying sigmals having an alternating current component superimposed upon a direct current component, without loss of any segnnent of the alternating current component. The general circuit arrangement includes a vibrator, two square wave amplifiers, and recombination means. The amplifier input is connected to the vibrating element of the vibrator and is thereby alternately applied to the input of each square wave amplifier. The detailed circuitry of the recombination means constitutes the novelty of the annplifier and consists of a separate, dual triode amplifier coupled to the output of each square wave amplifier with a recombination connection from the plate of one amplifier section to a grid of one section of the other amplifier. The recombination circuit has provisions for correcting distortion caused by overlapping of the two square wave voltages from the square wave amplifiers.
Tanimura, Asami; Lim, Sean Austin O.; Aceves Buendia, Jose de Jesus; Goldberg, Joshua A.; Surmeier, D. James
2016-01-01
Huntington’s disease (HD) is a neurodegenerative disorder characterized by deficits in movement control that are widely viewed as stemming from pathophysiological changes in the striatum. Giant, aspiny cholinergic interneurons (ChIs) are key elements in the striatal circuitry controlling movement, but whether their physiological properties are intact in the HD brain is unclear. To address this issue, the synaptic properties of ChIs were examined using optogenetic approaches in the Q175 mouse model of HD. In ex vivo brain slices, synaptic facilitation at thalamostriatal synapses onto ChIs was reduced in Q175 mice. The alteration in thalamostriatal transmission was paralleled by an increased response to optogenetic stimulation of cortical axons, enabling these inputs to more readily induce burst-pause patterns of activity in ChIs. This adaptation was dependent upon amplification of cortically evoked responses by a post-synaptic upregulation of voltage-dependent Na+ channels. This upregulation also led to an increased ability of somatic spikes to invade ChI dendrites. However, there was not an alteration in the basal pacemaking rate of ChIs, possibly due to increased availability of Kv4 channels. Thus, there is a functional “re-wiring” of the striatal networks in Q175 mice, which results in greater cortical control of phasic ChI activity, which is widely thought to shape the impact of salient stimuli on striatal action selection. PMID:28018188
Accurate ampacity determination: Temperature-Sag Model for operational real time ratings
Seppa, T.O.
1995-07-01
This report presents a method for determining transmission line ratings based on the relationship between the conductor`s temperature and its sag. The method is based on the Ruling Span principle and the use of transmission line tension monitoring systems. The report also presents a method of accurately calibrating the final sag of the conductor and determining the actual Ruling Span length of the line sections between deadend structures. Main error sources for two other real time methods are also examined.
Capacities of quantum amplifier channels
NASA Astrophysics Data System (ADS)
Qi, Haoyu; Wilde, Mark M.
2017-01-01
Quantum amplifier channels are at the core of several physical processes. Not only do they model the optical process of spontaneous parametric down-conversion, but the transformation corresponding to an amplifier channel also describes the physics of the dynamical Casimir effect in superconducting circuits, the Unruh effect, and Hawking radiation. Here we study the communication capabilities of quantum amplifier channels. Invoking a recently established minimum output-entropy theorem for single-mode phase-insensitive Gaussian channels, we determine capacities of quantum-limited amplifier channels in three different scenarios. First, we establish the capacities of quantum-limited amplifier channels for one of the most general communication tasks, characterized by the trade-off between classical communication, quantum communication, and entanglement generation or consumption. Second, we establish capacities of quantum-limited amplifier channels for the trade-off between public classical communication, private classical communication, and secret key generation. Third, we determine the capacity region for a broadcast channel induced by the quantum-limited amplifier channel, and we also show that a fully quantum strategy outperforms those achieved by classical coherent-detection strategies. In all three scenarios, we find that the capacities significantly outperform communication rates achieved with a naive time-sharing strategy.
NASA Astrophysics Data System (ADS)
England, Troy; Curry, Matthew; Carr, Steve; Swartzentruber, Brian; Lilly, Michael; Bishop, Nathan; Carrol, Malcolm
2015-03-01
Fast, low-power quantum state readout is one of many challenges facing quantum information processing. Single electron transistors (SETs) are potentially fast, sensitive detectors for performing spin readout of electrons bound to Si:P donors. From a circuit perspective, however, their output impedance and nonlinear conductance are ill suited to drive the parasitic capacitance typical of coaxial conductors used in cryogenic environments, necessitating a cryogenic amplification stage. We will discuss calibration data, as well as modeling and simulation of cryogenic silicon-germanium (SiGe) heterojunction bipolar transistor (HBT) circuits connected to a silicon SET and operating at 4 K. We find a continuum of solutions from simple, single-HBT amplifiers to more complex, multi-HBT circuits suitable for integration, with varying noise levels and power vs. bandwidth tradeoffs. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. DOE Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the U. S. Department of Energy under Contract No. DE-AC04-94AL85000.
Segmented amplifier configurations for laser amplifier
Hagen, Wilhelm F.
1979-01-01
An amplifier system for high power lasers, the system comprising a compact array of segments which (1) preserves high, large signal gain with improved pumping efficiency and (2) allows the total amplifier length to be shortened by as much as one order of magnitude. The system uses a three dimensional array of segments, with the plane of each segment being oriented at substantially the amplifier medium Brewster angle relative to the incident laser beam and with one or more linear arrays of flashlamps positioned between adjacent rows of amplifier segments, with the plane of the linear array of flashlamps being substantially parallel to the beam propagation direction.
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.
Rapcsak, Steven Z.; Henry, Maya L.; Teague, Sommer L.; Carnahan, Susan D.; Beeson, Pélagie M.
2007-01-01
Coltheart and colleagues (Coltheart, Rastle, Perry, Langdon, & Ziegler, 2001; Castles, Bates, & Coltheart, 2006) 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. PMID:17482218
Resnic, F S; Ohno-Machado, L; Selwyn, A; Simon, D I; Popma, J J
2001-07-01
The objectives of this analysis were to develop and validate simplified risk score models for predicting the risk of major in-hospital complications after percutaneous coronary intervention (PCI) in the era of widespread stenting and use of glycoprotein IIb/IIIa antagonists. We then sought to compare the performance of these simplified models with those of full logistic regression and neural network models. From January 1, 1997 to December 31, 1999, data were collected on 4,264 consecutive interventional procedures at a single center. Risk score models were derived from multiple logistic regression models using the first 2,804 cases and then validated on the final 1,460 cases. The area under the receiver operating characteristic (ROC) curve for the risk score model that predicted death was 0.86 compared with 0.85 for the multiple logistic model and 0.83 for the neural network model (validation set). For the combined end points of death, myocardial infarction, or bypass surgery, the corresponding areas under the ROC curves were 0.74, 0.78, and 0.81, respectively. Previously identified risk factors were confirmed in this analysis. The use of stents was associated with a decreased risk of in-hospital complications. Thus, risk score models can accurately predict the risk of major in-hospital complications after PCI. Their discriminatory power is comparable to those of logistic models and neural network models. Accurate bedside risk stratification may be achieved with these simple models.
Dunn, Nicholas J. H.; Noid, W. G.
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. 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.
Dunn, Nicholas J H; Noid, W G
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, UV(V), that approximates the volume-dependence of the PMF. 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 UV, 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 UV 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.
NASA Astrophysics Data System (ADS)
Shen, Yijie; Gong, Mali; Ji, Encai; Fu, Xing; Sun, Licheng
2017-01-01
A new theoretical model, spatial dynamic thermal iteration (SDTI) model, for diode-end-pumped solid-state laser systems is developed, which is both applicable to laser oscillators and amplifiers. The influences of pump beam quality, ground state absorption and depletion (GSA/GSD) and energy transfer upconversion (ETU) are included in our model. According to the basic principles of nonradiative transitions and population dynamics, we can obtain the spatial distribution of heat generation and temperature within the laser crystal through numerically solving heat conduction equation by finite element method (FEM). Furthermore, a spatial mesh iteration algorithm is designed to analyze the temperature dependence of absorption cross section, emission cross section and thermal conductivity. Finally, the simulated results of our SDTI model was proved to precisely coincide with the reported experimental results in classical 888 nm end-pumped Nd:YVO4 laser oscillator and amplifier systems.
Direct solar-pumped iodine laser amplifier
NASA Technical Reports Server (NTRS)
Han, K. S.
1985-01-01
This semiannual progress report covers the period from April 1, 1985 to Sept. 30, 1985 under NASA grant NAS1-441 entitled direct solar pumped iodine laser amplifier. During this period the parametric studies of the iodine laser oscillator pumped by a Vortek simulator was carried out before the amplifier studies. The amplifier studies are postponed to the extended period following completion of the parametric studies. In addition, the kinetic modeling of a solar pumped iodine laser amplifier, and the experimental work for a solar pumped dye laser amplifier are in progress. This report contains three parts: (1) the radiation characteristics of solar simulator and the parametric characteristics of photodissociation iodine laser continuously pumped by a Vortek solar simulator; (2) kinetic modeling of a solar pumped iodine laser amplifier; and (3) the study of the dye laser amplifier pumped by a Tamarack solar simulator.
Ustinov, E. A.
2014-10-07
Commensurate–incommensurate (C-IC) transition of krypton molecular layer on graphite received much attention in recent decades in theoretical and experimental researches. However, there still exists a possibility of generalization of the phenomenon from thermodynamic viewpoint on the basis of accurate molecular simulation. Recently, a new technique was developed for analysis of two-dimensional (2D) phase transitions in systems involving a crystalline phase, which is based on accounting for the effect of temperature and the chemical potential on the lattice constant of the 2D layer using the Gibbs–Duhem equation [E. A. Ustinov, J. Chem. Phys. 140, 074706 (2014)]. The technique has allowed for determination of phase diagrams of 2D argon layers on the uniform surface and in slit pores. This paper extends the developed methodology on systems accounting for the periodic modulation of the substrate potential. The main advantage of the developed approach is that it provides highly accurate evaluation of the chemical potential of crystalline layers, which allows reliable determination of temperature and other parameters of various 2D phase transitions. Applicability of the methodology is demonstrated on the krypton–graphite system. Analysis of phase diagram of the krypton molecular layer, thermodynamic functions of coexisting phases, and a method of prediction of adsorption isotherms is considered accounting for a compression of the graphite due to the krypton–carbon interaction. The temperature and heat of C-IC transition has been reliably determined for the gas–solid and solid–solid system.
Ustinov, E A
2014-10-07
Commensurate-incommensurate (C-IC) transition of krypton molecular layer on graphite received much attention in recent decades in theoretical and experimental researches. However, there still exists a possibility of generalization of the phenomenon from thermodynamic viewpoint on the basis of accurate molecular simulation. Recently, a new technique was developed for analysis of two-dimensional (2D) phase transitions in systems involving a crystalline phase, which is based on accounting for the effect of temperature and the chemical potential on the lattice constant of the 2D layer using the Gibbs-Duhem equation [E. A. Ustinov, J. Chem. Phys. 140, 074706 (2014)]. The technique has allowed for determination of phase diagrams of 2D argon layers on the uniform surface and in slit pores. This paper extends the developed methodology on systems accounting for the periodic modulation of the substrate potential. The main advantage of the developed approach is that it provides highly accurate evaluation of the chemical potential of crystalline layers, which allows reliable determination of temperature and other parameters of various 2D phase transitions. Applicability of the methodology is demonstrated on the krypton-graphite system. Analysis of phase diagram of the krypton molecular layer, thermodynamic functions of coexisting phases, and a method of prediction of adsorption isotherms is considered accounting for a compression of the graphite due to the krypton-carbon interaction. The temperature and heat of C-IC transition has been reliably determined for the gas-solid and solid-solid system.
Surface electron density models for accurate ab initio molecular dynamics with electronic friction
NASA Astrophysics Data System (ADS)
Novko, D.; Blanco-Rey, M.; Alducin, M.; Juaristi, J. I.
2016-06-01
Ab initio molecular dynamics with electronic friction (AIMDEF) is a valuable methodology to study the interaction of atomic particles with metal surfaces. This method, in which the effect of low-energy electron-hole (e-h) pair excitations is treated within the local density friction approximation (LDFA) [Juaristi et al., Phys. Rev. Lett. 100, 116102 (2008), 10.1103/PhysRevLett.100.116102], can provide an accurate description of both e-h pair and phonon excitations. In practice, its applicability becomes a complicated task in those situations of substantial surface atoms displacements because the LDFA requires the knowledge at each integration step of the bare surface electron density. In this work, we propose three different methods of calculating on-the-fly the electron density of the distorted surface and we discuss their suitability under typical surface distortions. The investigated methods are used in AIMDEF simulations for three illustrative adsorption cases, namely, dissociated H2 on Pd(100), N on Ag(111), and N2 on Fe(110). Our AIMDEF calculations performed with the three approaches highlight the importance of going beyond the frozen surface density to accurately describe the energy released into e-h pair excitations in case of large surface atom displacements.
NASA Astrophysics Data System (ADS)
Zhang, Xiang; Vu-Quoc, Loc
2007-07-01
We present in this paper the displacement-driven version of a tangential force-displacement (TFD) model that accounts for both elastic and plastic deformations together with interfacial friction occurring in collisions of spherical particles. This elasto-plastic frictional TFD model, with its force-driven version presented in [L. Vu-Quoc, L. Lesburg, X. Zhang. An accurate tangential force-displacement model for granular-flow simulations: contacting spheres with plastic deformation, force-driven formulation, Journal of Computational Physics 196(1) (2004) 298-326], is consistent with the elasto-plastic frictional normal force-displacement (NFD) model presented in [L. Vu-Quoc, X. Zhang. An elasto-plastic contact force-displacement model in the normal direction: displacement-driven version, Proceedings of the Royal Society of London, Series A 455 (1991) 4013-4044]. Both the NFD model and the present TFD model are based on the concept of additive decomposition of the radius of contact area into an elastic part and a plastic part. The effect of permanent indentation after impact is represented by a correction to the radius of curvature. The effect of material softening due to plastic flow is represented by a correction to the elastic moduli. The proposed TFD model is accurate, and is validated against nonlinear finite element analyses involving plastic flows in both the loading and unloading conditions. The proposed consistent displacement-driven, elasto-plastic NFD and TFD models are designed for implementation in computer codes using the discrete-element method (DEM) for granular-flow simulations. The model is shown to be accurate and is validated against nonlinear elasto-plastic finite-element analysis.
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
Martens, Jon S.; Hietala, Vincent M.; Plut, Thomas A.
1995-01-01
The present invention comprises a novel matrix amplifier. The matrix amplifier includes an active superconducting power divider (ASPD) having N output ports; N distributed amplifiers each operatively connected to one of the N output ports of the ASPD; and a power combiner having N input ports each operatively connected to one of the N distributed amplifiers. The distributed amplifier can included M stages of amplification by cascading superconducting active devices. The power combiner can include N active elements. The resulting (N.times.M) matrix amplifier can produce signals of high output power, large bandwidth, and low noise.
NASA Technical Reports Server (NTRS)
Hajimiri, Seyed-Ali (Inventor); Kee, Scott D. (Inventor); Aoki, Ichiro (Inventor)
2010-01-01
A cross-differential amplifier is provided. The cross-differential amplifier includes an inductor connected to a direct current power source at a first terminal. A first and second switch, such as transistors, are connected to the inductor at a second terminal. A first and second amplifier are connected at their supply terminals to the first and second switch. The first and second switches are operated to commutate the inductor between the amplifiers so as to provide an amplified signal while limiting the ripple voltage on the inductor and thus limiting the maximum voltage imposed across the amplifiers and switches.
NASA Technical Reports Server (NTRS)
Hajimiri, Seyed-Ali (Inventor); Kee, Scott D. (Inventor); Aoki, Ichiro (Inventor)
2011-01-01
A cross-differential amplifier is provided. The cross-differential amplifier includes an inductor connected to a direct current power source at a first terminal. A first and second switch, such as transistors, are connected to the inductor at a second terminal. A first and second amplifier are connected at their supply terminals to the first and second switch. The first and second switches are operated to commutate the inductor between the amplifiers so as to provide an amplified signal while limiting the ripple voltage on the inductor and thus limiting the maximum voltage imposed across the amplifiers and switches.
NASA Technical Reports Server (NTRS)
Hajimiri, Seyed-Ali (Inventor); Kee, Scott D. (Inventor); Aoki, Ichiro (Inventor)
2013-01-01
A cross-differential amplifier is provided. The cross-differential amplifier includes an inductor connected to a direct current power source at a first terminal. A first and second switch, such as transistors, are connected to the inductor at a second terminal. A first and second amplifier are connected at their supply terminals to the first and second switch. The first and second switches are operated to commutate the inductor between the amplifiers so as to provide an amplified signal while limiting the ripple voltage on the inductor and thus limiting the maximum voltage imposed across the amplifiers and switches.
NASA Technical Reports Server (NTRS)
Hajimiri, Seyed-Ali (Inventor); Kee, Scott D. (Inventor); Aoki, Ichiro (Inventor)
2008-01-01
A cross-differential amplifier is provided. The cross-differential amplifier includes an inductor connected to a direct current power source at a first terminal. A first and second switch, such as transistors, are connected to the inductor at a second terminal. A first and second amplifier are connected at their supply terminals to the first and second switch. The first and second switches are operated to commutate the inductor between the amplifiers so as to provide an amplified signal while limiting the ripple voltage on the inductor and thus limiting the maximum voltage imposed across the amplifiers and switches.
Martens, J.S.; Hietala, V.M.; Plut, T.A.
1995-01-03
The present invention comprises a novel matrix amplifier. The matrix amplifier includes an active superconducting power divider (ASPD) having N output ports; N distributed amplifiers each operatively connected to one of the N output ports of the ASPD; and a power combiner having N input ports each operatively connected to one of the N distributed amplifiers. The distributed amplifier can included M stages of amplification by cascading superconducting active devices. The power combiner can include N active elements. The resulting (N[times]M) matrix amplifier can produce signals of high output power, large bandwidth, and low noise. 6 figures.
2016 KIVA-hpFE Development: A Robust and Accurate Engine Modeling Software
Carrington, David Bradley; Waters, Jiajia
2016-10-25
Los Alamos National Laboratory and its collaborators are facilitating engine modeling by improving accuracy and robustness of the modeling, and improving the robustness of software. We also continue to improve the physical modeling methods. We are developing and implementing new mathematical algorithms, those that represent the physics within an engine. We provide software that others may use directly or that they may alter with various models e.g., sophisticated chemical kinetics, different turbulent closure methods or other fuel injection and spray systems.
Frölich, A M J; Spallek, J; Brehmer, L; Buhk, J-H; Krause, D; Fiehler, J; Kemmling, A
2016-01-01
As part of a multicenter cooperation (Aneurysm-Like Synthetic bodies for Testing Endovascular devices in 3D Reality) with focus on implementation of additive manufacturing in neuroradiologic practice, we systematically assessed the technical feasibility and accuracy of several additive manufacturing techniques. We evaluated the method of fused deposition modeling for the production of aneurysm models replicating patient-specific anatomy. 3D rotational angiographic data from 10 aneurysms were processed to obtain volumetric models suitable for fused deposition modeling. A hollow aneurysm model with connectors for silicone tubes was fabricated by using acrylonitrile butadiene styrene. Support material was dissolved, and surfaces were finished by using NanoSeal. The resulting models were filled with iodinated contrast media. 3D rotational angiography of the models was acquired, and aneurysm geometry was compared with the original patient data. Reproduction of hollow aneurysm models was technically feasible in 8 of 10 cases, with aneurysm sizes ranging from 41 to 2928 mm(3) (aneurysm diameter, 3-19 mm). A high level of anatomic accuracy was observed, with a mean Dice index of 93.6% ± 2.4%. Obstructions were encountered in vessel segments of <1 mm. Fused deposition modeling is a promising technique, which allows rapid and precise replication of cerebral aneurysms. The porosity of the models can be overcome by surface finishing. Models produced with fused deposition modeling may serve as educational and research tools and could be used to individualize treatment planning. © 2016 by American Journal of Neuroradiology.
ERIC Educational Resources Information Center
Gong, Yue; Beck, Joseph E.; Heffernan, Neil T.
2011-01-01
Student modeling is a fundamental concept applicable to a variety of intelligent tutoring systems (ITS). However, there is not a lot of practical guidance on how to construct and train such models. This paper compares two approaches for student modeling, Knowledge Tracing (KT) and Performance Factors Analysis (PFA), by evaluating their predictive…
ERIC Educational Resources Information Center
Gong, Yue; Beck, Joseph E.; Heffernan, Neil T.
2011-01-01
Student modeling is a fundamental concept applicable to a variety of intelligent tutoring systems (ITS). However, there is not a lot of practical guidance on how to construct and train such models. This paper compares two approaches for student modeling, Knowledge Tracing (KT) and Performance Factors Analysis (PFA), by evaluating their predictive…
Models in biology: ‘accurate descriptions of our pathetic thinking’
2014-01-01
In this essay I will sketch some ideas for how to think about models in biology. I will begin by trying to dispel the myth that quantitative modeling is somehow foreign to biology. I will then point out the distinction between forward and reverse modeling and focus thereafter on the former. Instead of going into mathematical technicalities about different varieties of models, I will focus on their logical structure, in terms of assumptions and conclusions. A model is a logical machine for deducing the latter from the former. If the model is correct, then, if you believe its assumptions, you must, as a matter of logic, also believe its conclusions. This leads to consideration of the assumptions underlying models. If these are based on fundamental physical laws, then it may be reasonable to treat the model as ‘predictive’, in the sense that it is not subject to falsification and we can rely on its conclusions. However, at the molecular level, models are more often derived from phenomenology and guesswork. In this case, the model is a test of its assumptions and must be falsifiable. I will discuss three models from this perspective, each of which yields biological insights, and this will lead to some guidelines for prospective model builders. PMID:24886484
NASA Astrophysics Data System (ADS)
West, J. B.; Ehleringer, J. R.; Cerling, T.
2006-12-01
Understanding how the biosphere responds to change it at the heart of biogeochemistry, ecology, and other Earth sciences. The dramatic increase in human population and technological capacity over the past 200 years or so has resulted in numerous, simultaneous changes to biosphere structure and function. This, then, has lead to increased urgency in the scientific community to try to understand how systems have already responded to these changes, and how they might do so in the future. Since all biospheric processes exhibit some patchiness or patterns over space, as well as time, we believe that understanding the dynamic interactions between natural systems and human technological manipulations can be improved if these systems are studied in an explicitly spatial context. We present here results of some of our efforts to model the spatial variation in the stable isotope ratios (δ2H and δ18O) of plants over large spatial extents, and how these spatial model predictions compare to spatially explicit data. Stable isotopes trace and record ecological processes and as such, if modeled correctly over Earth's surface allow us insights into changes in biosphere states and processes across spatial scales. The data-model comparisons show good agreement, in spite of the remaining uncertainties (e.g., plant source water isotopic composition). For example, inter-annual changes in climate are recorded in wine stable isotope ratios. Also, a much simpler model of leaf water enrichment driven with spatially continuous global rasters of precipitation and climate normals largely agrees with complex GCM modeling that includes leaf water δ18O. Our results suggest that modeling plant stable isotope ratios across large spatial extents may be done with reasonable accuracy, including over time. These spatial maps, or isoscapes, can now be utilized to help understand spatially distributed data, as well as to help guide future studies designed to understand ecological change across
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 is 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.
NASA Astrophysics Data System (ADS)
Toyokuni, Genti; Takenaka, Hiroshi
2012-06-01
We propose a method for modeling global seismic wave propagation through an attenuative Earth model including the center. This method enables accurate and efficient computations since it is based on the 2.5-D approach, which solves wave equations only on a 2-D cross section of the whole Earth and can correctly model 3-D geometrical spreading. We extend a numerical scheme for the elastic waves in spherical coordinates using the finite-difference method (FDM), to solve the viscoelastodynamic equation. For computation of realistic seismic wave propagation, incorporation of anelastic attenuation is crucial. Since the nature of Earth material is both elastic solid and viscous fluid, we should solve stress-strain relations of viscoelastic material, including attenuative structures. These relations represent the stress as a convolution integral in time, which has had difficulty treating viscoelasticity in time-domain computation such as the FDM. However, we now have a method using so-called memory variables, invented in the 1980s, followed by improvements in Cartesian coordinates. Arbitrary values of the quality factor (Q) can be incorporated into the wave equation via an array of Zener bodies. We also introduce the multi-domain, an FD grid of several layers with different grid spacings, into our FDM scheme. This allows wider lateral grid spacings with depth, so as not to perturb the FD stability criterion around the Earth center. In addition, we propose a technique to avoid the singularity problem of the wave equation in spherical coordinates at the Earth center. We develop a scheme to calculate wavefield variables on this point, based on linear interpolation for the velocity-stress, staggered-grid FDM. This scheme is validated through a comparison of synthetic seismograms with those obtained by the Direct Solution Method for a spherically symmetric Earth model, showing excellent accuracy for our FDM scheme. As a numerical example, we apply the method to simulate seismic
Digital versus plaster study models: how accurate and reproducible are they?
Abizadeh, Neilufar; Moles, David R; O'Neill, Julian; Noar, Joseph H
2012-09-01
To compare measurements of occlusal relationships and arch dimensions taken from digital study models with those taken from plaster models. Laboratory study The Orthodontic Department, Kettering General Hospital, Kettering, UK Methods and materials: One hundred and twelve sets of study models with a range of malocclusions and various degrees of crowding were selected. Occlusal features were measured manually with digital callipers on the plaster models. The same measurements were performed on digital images of the study models. Each method was carried out twice in order to check for intra-operator variability. The repeatability and reproducibility of the methods was assessed. Statistically significant differences between the two methods were found. In 8 of the 16 occlusal features measured, the plaster measurements were more repeatable. However, those differences were not of sufficient magnitude to have clinical relevance. In addition there were statistically significant systematic differences for 12 of the 16 occlusal features, with the plaster measurements being greater for 11 of these, indicating the digital model scans were not a true 11 representation of the plaster models. The repeatability of digital models compared with plaster models is satisfactory for clinical applications, although this study demonstrated some systematic differences. Digital study models can therefore be considered for use as an adjunct to clinical assessment of the occlusion, but as yet may not supersede current methods for scientific purposes.
THE IMPACT OF ACCURATE EXTINCTION MEASUREMENTS FOR X-RAY SPECTRAL MODELS
Smith, Randall K.; Valencic, Lynne A.; Corrales, Lia
2016-02-20
Interstellar extinction includes both absorption and scattering of photons from interstellar gas and dust grains, and it has the effect of altering a source's spectrum and its total observed intensity. However, while multiple absorption models exist, there are no useful scattering models in standard X-ray spectrum fitting tools, such as XSPEC. Nonetheless, X-ray halos, created by scattering from dust grains, are detected around even moderately absorbed sources, and the impact on an observed source spectrum can be significant, if modest, compared to direct absorption. By convolving the scattering cross section with dust models, we have created a spectral model as a function of energy, type of dust, and extraction region that can be used with models of direct absorption. This will ensure that the extinction model is consistent and enable direct connections to be made between a source's X-ray spectral fits and its UV/optical extinction.
NASA Astrophysics Data System (ADS)
Huerta, Eliu; Agarwal, Bhanu; Chua, Alvin; George, Daniel; Haas, Roland; Hinder, Ian; Kumar, Prayush; Moore, Christopher; Pfeiffer, Harald
2017-01-01
We recently constructed an inspiral-merger-ringdown (IMR) waveform model to describe the dynamical evolution of compact binaries on eccentric orbits, and used this model to constrain the eccentricity with which the gravitational wave transients currently detected by LIGO could be effectively recovered with banks of quasi-circular templates. We now present the second generation of this model, which is calibrated using a large catalog of eccentric numerical relativity simulations. We discuss the new features of this model, and show that its enhance accuracy makes it a powerful tool to detect eccentric signals with LIGO.
Accurate low-order modeling of electrified falling films at moderate Reynolds number
NASA Astrophysics Data System (ADS)
Wray, Alexander W.; Matar, Omar K.; Papageorgiou, Demetrios T.
2017-06-01
The two- and three-dimensional spatio-temporal dynamics of a falling, electrified leaky dielectric film are studied. The method of weighted residuals is used to derive high-order models that account for both inertia as well as second-order electrostatic effects. The models are validated against both linear theory and direct numerical simulations of the Navier-Stokes equations. It is shown that a simplified model offers a rapid computational option at the cost of a minimal decrease in accuracy. This model is then used to perform a parametric study in three dimensions.
Portable musical instrument amplifier
Christian, David E.
1990-07-24
The present invention relates to a musical instrument amplifier which is particularly useful for electric guitars. The amplifier has a rigid body for housing both the electronic system for amplifying and processing signals from the guitar and the system's power supply. An input plug connected to and projecting from the body is electrically coupled to the signal amplifying and processing system. When the plug is inserted into an output jack for an electric guitar, the body is rigidly carried by the guitar, and the guitar is operatively connected to the electrical amplifying and signal processing system without use of a loose interconnection cable. The amplifier is provided with an output jack, into which headphones are plugged to receive amplified signals from the guitar. By eliminating the conventional interconnection cable, the amplifier of the present invention can be used by musicians with increased flexibility and greater freedom of movement.
An Efficient and Accurate Quantum Lattice-Gas Model for the Many-Body Schroedinger Wave Equation
2002-01-01
CONTRACT NUMBER AN EFFICIENT AND ACCURATE QUANTUM LATTICE-GAS MODEL FOR THE MANY-BODY SCHROEDINGER WAVE EQUATION 5b. GRANT NUMBER SC. PROGRAM ELEMENT...for simulating the time-dependent evolution of a many-body jiiantum mechanical system of particles governed by the non-relativistic Schroedinger " wave...the numerical dispersion of the simulated wave packets is compared with the analytical solutions. 15. SUBJECT TERM: Schroedinger wave equation
Active appearance model and deep learning for more accurate prostate segmentation on MRI
NASA Astrophysics Data System (ADS)
Cheng, Ruida; Roth, Holger R.; Lu, Le; Wang, Shijun; Turkbey, Baris; Gandler, William; McCreedy, Evan S.; Agarwal, Harsh K.; Choyke, Peter; Summers, Ronald M.; McAuliffe, Matthew J.
2016-03-01
Prostate segmentation on 3D MR images is a challenging task due to image artifacts, large inter-patient prostate shape and texture variability, and lack of a clear prostate boundary specifically at apex and base levels. We propose a supervised machine learning model that combines atlas based Active Appearance Model (AAM) with a Deep Learning model to segment the prostate on MR images. The performance of the segmentation method is evaluated on 20 unseen MR image datasets. The proposed method combining AAM and Deep Learning achieves a mean Dice Similarity Coefficient (DSC) of 0.925 for whole 3D MR images of the prostate using axial cross-sections. The proposed model utilizes the adaptive atlas-based AAM model and Deep Learning to achieve significant segmentation accuracy.
Efficient and accurate local model for colorimetric characterization of liquid-crystal displays.
Zou, Wenhai; Xu, Haisong; Gong, Rui
2012-01-01
Taking the chromaticity inconstancy of LCDs and the inverse efficiency into account, a novel local colorimetric characterization model was developed in this Letter. Rather than dividing the device color space into many subspaces to refine the chromaticity description as existent local models, the proposed model tailored the transformation relationship uniquely for each characterized color with look-up tables and a local chromaticity matrix. Based on this model, the characterization task could be efficiently accomplished within a few steps for either the forward or the inverse transformation. Test experiments on several commercial LCDs indicated that the average color difference between the estimated and measured tristimulus values could be achieved in a low level of about 0.4 CIEDE2000 units, effectively demonstrating the proposed model.
D’Adamo, Giuseppe; Pelissetto, Andrea; Pierleoni, Carlo
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 Boltzmann 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.
Khayyeri, Hanifeh; Gustafsson, Anna; Heuijerjans, Ashley; Matikainen, Marko K; Julkunen, Petro; Eliasson, Pernilla; Aspenberg, Per; Isaksson, Hanna
2015-01-01
Computational models of Achilles tendons can help understanding how healthy tendons are affected by repetitive loading and how the different tissue constituents contribute to the tendon's biomechanical response. However, available models of Achilles tendon are limited in their description of the hierarchical multi-structural composition of the tissue. This study hypothesised that a poroviscoelastic fibre-reinforced model, previously successful in capturing cartilage biomechanical behaviour, can depict the biomechanical behaviour of the rat Achilles tendon found experimentally. We developed a new material model of the Achilles tendon, which considers the tendon's main constituents namely: water, proteoglycan matrix and collagen fibres. A hyperelastic formulation of the proteoglycan matrix enabled computations of large deformations of the tendon, and collagen fibres were modelled as viscoelastic. Specimen-specific finite element models were created of 9 rat Achilles tendons from an animal experiment and simulations were carried out following a repetitive tensile loading protocol. The material model parameters were calibrated against data from the rats by minimising the root mean squared error (RMS) between experimental force data and model output. All specimen models were successfully fitted to experimental data with high accuracy (RMS 0.42-1.02). Additional simulations predicted more compliant and soft tendon behaviour at reduced strain-rates compared to higher strain-rates that produce a stiff and brittle tendon response. Stress-relaxation simulations exhibited strain-dependent stress-relaxation behaviour where larger strains produced slower relaxation rates compared to smaller strain levels. Our simulations showed that the collagen fibres in the Achilles tendon are the main load-bearing component during tensile loading, where the orientation of the collagen fibres plays an important role for the tendon's viscoelastic response. In conclusion, this model can capture
NASA Astrophysics Data System (ADS)
Tokunaga, Yoshiaki; Kugo, Yukio
2000-05-01
The purpose of this study is to propose a new model wherein the piezoelectric semiconducting n-CdS is recognized as a kind of complex system based on the interaction among an electron, an amplified flux and a thermal background noise in a piezoelectric field. In this model, the system metamorphoses drastically from the thermal equilibrium state in an isolated system into a “far-from-equilibrium state of turbulent chaos” in an open system when an external high voltage is applied to the CdS@. The dynamics of the amplified flux is simulated by a time-evolutional differential equation (similar to a logistic equation) composed of the White theory, the Akhieser damping theory, and the Ozaki-Mikoshiba theory. The simulation result agrees qualitatively with experimental evidence on the flux distribution in the case of a slow-rise-time pulse application.
Telfer, Scott; Erdemir, Ahmet; Woodburn, James; Cavanagh, Peter R
2016-01-25
Integration of patient-specific biomechanical measurements into the design of therapeutic footwear has been shown to improve clinical outcomes in patients with diabetic foot disease. The addition of numerical simulations intended to optimise intervention design may help to build on these advances, however at present the time and labour required to generate and run personalised models of foot anatomy restrict their routine clinical utility. In this study we developed second-generation personalised simple finite element (FE) models of the forefoot with varying geometric fidelities. Plantar pressure predictions from barefoot, shod, and shod with insole simulations using simplified models were compared to those obtained from CT-based FE models incorporating more detailed representations of bone and tissue geometry. A simplified model including representations of metatarsals based on simple geometric shapes, embedded within a contoured soft tissue block with outer geometry acquired from a 3D surface scan was found to provide pressure predictions closest to the more complex model, with mean differences of 13.3kPa (SD 13.4), 12.52kPa (SD 11.9) and 9.6kPa (SD 9.3) for barefoot, shod, and insole conditions respectively. The simplified model design could be produced in <1h compared to >3h in the case of the more detailed model, and solved on average 24% faster. FE models of the forefoot based on simplified geometric representations of the metatarsal bones and soft tissue surface geometry from 3D surface scans may potentially provide a simulation approach with improved clinical utility, however further validity testing around a range of therapeutic footwear types is required.
Cimpoesu, Dorin Stoleriu, Laurentiu; Stancu, Alexandru
2013-12-14
We propose a generalized Stoner-Wohlfarth (SW) type model to describe various experimentally observed angular dependencies of the switching field in non-single-domain magnetic particles. Because the nonuniform magnetic states are generally characterized by complicated spin configurations with no simple analytical description, we maintain the macrospin hypothesis and we phenomenologically include the effects of nonuniformities only in the anisotropy energy, preserving as much as possible the elegance of SW model, the concept of critical curve and its geometric interpretation. We compare the results obtained with our model with full micromagnetic simulations in order to evaluate the performance and limits of our approach.
Accurate Sloshing Modes Modeling: A New Analytical Solution and its Consequences on Control
NASA Astrophysics Data System (ADS)
Gonidou, Luc-Olivier; Desmariaux, Jean
2014-06-01
This study addresses the issue of sloshing modes modeling for GNC analyses purposes. On European launchers, equivalent mechanical systems are commonly used for modeling sloshing effects on launcher dynamics. The representativeness of such a methodology is discussed here. First an exact analytical formulation of the launcher dynamics fitted with sloshing modes is proposed and discrepancies with equivalent mechanical system approach are emphasized. Then preliminary comparative GNC analyses are performed using the different models of dynamics in order to evaluate the impact of the aforementioned discrepancies from GNC standpoint. Special attention is paid to system stability.
A model for the accurate computation of the lateral scattering of protons in water.
Bellinzona, E V; Ciocca, M; Embriaco, A; Ferrari, A; Fontana, A; Mairani, A; Parodi, K; Rotondi, A; Sala, P; Tessonnier, T
2016-02-21
A pencil beam model for the calculation of the lateral scattering in water of protons for any therapeutic energy and depth is presented. It is based on the full Molière theory, taking into account the energy loss and the effects of mixtures and compounds. Concerning the electromagnetic part, the model has no free parameters and is in very good agreement with the FLUKA Monte Carlo (MC) code. The effects of the nuclear interactions are parametrized with a two-parameter tail function, adjusted on MC data calculated with FLUKA. The model, after the convolution with the beam and the detector response, is in agreement with recent proton data in water from HIT. The model gives results with the same accuracy of the MC codes based on Molière theory, with a much shorter computing time.
NASA Astrophysics Data System (ADS)
Dale, Andy; Stolpovsky, Konstantin; Wallmann, Klaus
2016-04-01
The recycling and burial of biogenic material in the sea floor plays a key role in the regulation of ocean chemistry. Proper consideration of these processes in ocean biogeochemical models is becoming increasingly recognized as an important step in model validation and prediction. However, the rate of organic matter remineralization in sediments and the benthic flux of redox-sensitive elements are difficult to predict a priori. In this communication, examples of empirical benthic flux models that can be coupled to earth system models to predict sediment-water exchange in the open ocean are presented. Large uncertainties hindering further progress in this field include knowledge of the reactivity of organic carbon reaching the sediment, the importance of episodic variability in bottom water chemistry and particle rain rates (for both the deep-sea and margins) and the role of benthic fauna. How do we meet the challenge?
Accurate modeling of F-region electron densities. Annual progress report, 1993-1994
Not Available
1994-01-01
In the past year, the authors have made considerable progress in a number of areas including algorithm development, completion of two major case studies, and the development of a new EUV flux model. As a result, there has been a major improvement in the ability to model global emissions in support of NASA's imaging plans. Activity highlights include the following: developed a new algorithm to allow physical models to reproduce observed NmF2; investigated the relationship between NmF2 and F10.7 at Millstone Hill during 1990; developed a new solar EUV flux model; statistical survey of anomalously high nighttime electron T(sub e) at Millstone Hill; conducted a case study of the March 1990 magnetic storm; and conducted a comparison between theory and data of magnetically quiet behavior of the winter ionosphere at Millstone Hill.
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
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.
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.
Sea Ice Trends in Climate Models Only Accurate in Runs with Biased Global Warming
NASA Astrophysics Data System (ADS)
Rosenblum, Erica; Eisenman, Ian
2017-08-01
Observations indicate that the Arctic sea ice cover is rapidly retreating while the Antarctic sea ice cover is steadily expanding. State-of-the-art climate models, by contrast, typically simulate a moderate decrease in both the Arctic and Antarctic sea ice covers. However, in each hemisphere there is a small subset of model simulations that have sea ice trends similar to the observations. Based on this, a number of recent studies have suggested that the models are consistent with the observations in each hemisphere when simulated internal climate variability is taken into account. Here we examine sea ice changes during 1979-2013 in simulations from the most recent Coupled Model Intercomparison Project (CMIP5) as well as the Community Earth System Model Large Ensemble (CESM-LE), drawing on previous work that found a close relationship in climate models between global-mean surface temperature and sea ice extent. We find that all of the simulations with 1979-2013 Arctic sea ice retreat as fast as observed have considerably more global warming than observations during this time period. Using two separate methods to estimate the sea ice retreat that would occur under the observed level of global warming in each simulation in both ensembles, we find that simulated Arctic sea ice retreat as fast as observed would occur less than 1% of the time. This implies that the models are not consistent with the observations. In the Antarctic, we find that simulated sea ice expansion as fast as observed typically corresponds with too little global warming, although these results are more equivocal. We show that because of this, the simulations do not capture the observed asymmetry between Arctic and Antarctic sea ice trends. This suggests that the models may be getting the right sea ice trends for the wrong reasons in both polar regions.
Accurate 3D Modeling of Breast Deformation for Temporal Mammogram Registration
2008-09-01
SUPPLEMENTARY NOTES 14. ABSTRACT In this research project, we have developed mathematical model of breast deformation to simulate breast compression during...proposed to simulate and analyze breast deformation that can significantly improve the accuracy of matching in temporal mammograms and thus, the...performance of diagnosis and treatment. In this research project, we have developed a mathematical model of breast deformation to simulate breast
2010-01-01
and no date-specific assimilation of any data type. The ability of the model in simulating temporal variations of SST anomalies is discussed by...SST data and no date-specific assimilation of any datatype. The ability of the model in simulating temporal variations of SST anomalies is...directly provided by the originator. This clima - tology does not take the existence of ice into account (i.e. treats it as a data void). Thus, we
NASA Astrophysics Data System (ADS)
Mischna, Michael A.; Lee, Christopher; Richardson, Mark
2012-10-01
We present details of an approach to creating a k-distribution radiative transfer model (KDM) for use in the Martian atmosphere. Such models preserve the accuracy of more rigorous line-by-line models, but are orders of magnitude faster, and can be effectively implemented in 3-D general circulation models. The approach taken here is sufficiently generalized that it can be employed for atmospheres of any arbitrary composition and mass, and demonstrations are provided for simulated atmospheres with a present-day Martian surface pressure (∼6 mb) and a putative thick early Mars atmosphere (∼500 mb), both with and without atmospheric water vapor. KDM-derived absorption coefficients are placed into a look-up table at a set of gridded points in pressure, temperature and atmospheric composition, and a tri-linear interpolation scheme is used to obtain the coefficients appropriate for the local atmospheric conditions. These coefficients may then be used within any of a variety of commonly used flux solvers to obtain atmospheric heating rates. A series of validation tests are performed with the KDM for both present-day and early Mars atmospheric conditions, and the model is compared against several other widely used radiative transfer schemes, including several used in contemporary general circulation models. These validation results identify weaknesses in some other approaches and demonstrate the efficacy of the KDM, providing a rigorous test of these types of models for use in the Martian atmosphere. A demonstration of results obtained by implementing the KDM in a Mars general circulation model is provided.
Accurate model annotation of a near-atomic resolution cryo-EM map
Hryc, Corey F.; Chen, Dong-Hua; Afonine, Pavel V.; ...
2017-03-07
Electron cryomicroscopy (cryo-EM) has been used to determine the atomic coordinates (models) from density maps of biological assemblies. These models can be assessed by their overall fit to the experimental data and stereochemical information. However, these models do not annotate the actual density values of the atoms nor their positional uncertainty. Here, we introduce a computational procedure to derive an atomic model from a cryo- EM map with annotated metadata. The accuracy of such a model is validated by a faithful replication of the experimental cryo-EM map computed using the coordinates and associated metadata. The functional interpretation of any structuralmore » features in the model and its utilization for future studies can be made in the context of its measure of uncertainty. We applied this protocol to the 3.3-Å map of the mature P22 bacteriophage capsid, a large and complex macromolecular assembly. With this protocol, we identify and annotate previously undescribed molecular interactions between capsid subunits that are crucial to maintain stability in the absence of cementing proteins or cross-linking, as occur in other bacteriophages.« less
Accurate model annotation of a near-atomic resolution cryo-EM map.
Hryc, Corey F; Chen, Dong-Hua; Afonine, Pavel V; Jakana, Joanita; Wang, Zhao; Haase-Pettingell, Cameron; Jiang, Wen; Adams, Paul D; King, Jonathan A; Schmid, Michael F; Chiu, Wah
2017-03-21
Electron cryomicroscopy (cryo-EM) has been used to determine the atomic coordinates (models) from density maps of biological assemblies. These models can be assessed by their overall fit to the experimental data and stereochemical information. However, these models do not annotate the actual density values of the atoms nor their positional uncertainty. Here, we introduce a computational procedure to derive an atomic model from a cryo-EM map with annotated metadata. The accuracy of such a model is validated by a faithful replication of the experimental cryo-EM map computed using the coordinates and associated metadata. The functional interpretation of any structural features in the model and its utilization for future studies can be made in the context of its measure of uncertainty. We applied this protocol to the 3.3-Å map of the mature P22 bacteriophage capsid, a large and complex macromolecular assembly. With this protocol, we identify and annotate previously undescribed molecular interactions between capsid subunits that are crucial to maintain stability in the absence of cementing proteins or cross-linking, as occur in other bacteriophages.
Statistical tests with accurate size and power for balanced linear mixed models.
Muller, Keith E; Edwards, Lloyd J; Simpson, Sean L; Taylor, Douglas J
2007-08-30
The convenience of linear mixed models for Gaussian data has led to their widespread use. Unfortunately, standard mixed model tests often have greatly inflated test size in small samples. Many applications with correlated outcomes in medical imaging and other fields have simple properties which do not require the generality of a mixed model. Alternately, stating the special cases as a general linear multivariate model allows analysing them with either the univariate or multivariate approach to repeated measures (UNIREP, MULTIREP). Even in small samples, an appropriate UNIREP or MULTIREP test always controls test size and has a good power approximation, in sharp contrast to mixed model tests. Hence, mixed model tests should never be used when one of the UNIREP tests (uncorrected, Huynh-Feldt, Geisser-Greenhouse, Box conservative) or MULTIREP tests (Wilks, Hotelling-Lawley, Roy's, Pillai-Bartlett) apply. Convenient methods give exact power for the uncorrected and Box conservative tests. Simulations demonstrate that new power approximations for all four UNIREP tests eliminate most inaccuracy in existing methods. In turn, free software implements the approximations to give a better choice of sample size. Two repeated measures power analyses illustrate the methods. The examples highlight the advantages of examining the entire response surface of power as a function of sample size, mean differences, and variability.
Accurate model annotation of a near-atomic resolution cryo-EM map
Hryc, Corey F.; Chen, Dong-Hua; Afonine, Pavel V.; Jakana, Joanita; Wang, Zhao; Haase-Pettingell, Cameron; Jiang, Wen; Adams, Paul D.; King, Jonathan A.; Schmid, Michael F.; Chiu, Wah
2017-01-01
Electron cryomicroscopy (cryo-EM) has been used to determine the atomic coordinates (models) from density maps of biological assemblies. These models can be assessed by their overall fit to the experimental data and stereochemical information. However, these models do not annotate the actual density values of the atoms nor their positional uncertainty. Here, we introduce a computational procedure to derive an atomic model from a cryo-EM map with annotated metadata. The accuracy of such a model is validated by a faithful replication of the experimental cryo-EM map computed using the coordinates and associated metadata. The functional interpretation of any structural features in the model and its utilization for future studies can be made in the context of its measure of uncertainty. We applied this protocol to the 3.3-Å map of the mature P22 bacteriophage capsid, a large and complex macromolecular assembly. With this protocol, we identify and annotate previously undescribed molecular interactions between capsid subunits that are crucial to maintain stability in the absence of cementing proteins or cross-linking, as occur in other bacteriophages. PMID:28270620
NASA Astrophysics Data System (ADS)
Kees, C. E.; Farthing, M. W.; Terrel, A.; Certik, O.; Seljebotn, D.
2013-12-01
This presentation will focus on two barriers to progress in the hydrological modeling community, and research and development conducted to lessen or eliminate them. The first is a barrier to sharing hydrological models among specialized scientists that is caused by intertwining the implementation of numerical methods with the implementation of abstract numerical modeling information. In the Proteus toolkit for computational methods and simulation, we have decoupled these two important parts of computational model through separate "physics" and "numerics" interfaces. More recently we have begun developing the Strong Form Language for easy and direct representation of the mathematical model formulation in a domain specific language embedded in Python. The second major barrier is sharing ANY scientific software tools that have complex library or module dependencies, as most parallel, multi-physics hydrological models must have. In this setting, users and developer are dependent on an entire distribution, possibly depending on multiple compilers and special instructions depending on the environment of the target machine. To solve these problem we have developed, hashdist, a stateless package management tool and a resulting portable, open source scientific software distribution.
Masoli, Stefano; Rizza, Martina F; Sgritta, Martina; Van Geit, Werner; Schürmann, Felix; D'Angelo, Egidio
2017-01-01
In realistic neuronal modeling, once the ionic channel complement has been defined, the maximum ionic conductance (Gi-max) values need to be tuned in order to match the firing pattern revealed by electrophysiological recordings. Recently, selection/mutation genetic algorithms have been proposed to efficiently and automatically tune these parameters. Nonetheless, since similar firing patterns can be achieved through different combinations of Gi-max values, it is not clear how well these algorithms approximate the corresponding properties of real cells. Here we have evaluated the issue by exploiting a unique opportunity offered by the cerebellar granule cell (GrC), which is electrotonically compact and has therefore allowed the direct experimental measurement of ionic currents. Previous models were constructed using empirical tuning of Gi-max values to match the original data set. Here, by using repetitive discharge patterns as a template, the optimization procedure yielded models that closely approximated the experimental Gi-max values. These models, in addition to repetitive firing, captured additional features, including inward rectification, near-threshold oscillations, and resonance, which were not used as features. Thus, parameter optimization using genetic algorithms provided an efficient modeling strategy for reconstructing the biophysical properties of neurons and for the subsequent reconstruction of large-scale neuronal network models.
Masoli, Stefano; Rizza, Martina F.; Sgritta, Martina; Van Geit, Werner; Schürmann, Felix; D'Angelo, Egidio
2017-01-01
In realistic neuronal modeling, once the ionic channel complement has been defined, the maximum ionic conductance (Gi-max) values need to be tuned in order to match the firing pattern revealed by electrophysiological recordings. Recently, selection/mutation genetic algorithms have been proposed to efficiently and automatically tune these parameters. Nonetheless, since similar firing patterns can be achieved through different combinations of Gi-max values, it is not clear how well these algorithms approximate the corresponding properties of real cells. Here we have evaluated the issue by exploiting a unique opportunity offered by the cerebellar granule cell (GrC), which is electrotonically compact and has therefore allowed the direct experimental measurement of ionic currents. Previous models were constructed using empirical tuning of Gi-max values to match the original data set. Here, by using repetitive discharge patterns as a template, the optimization procedure yielded models that closely approximated the experimental Gi-max values. These models, in addition to repetitive firing, captured additional features, including inward rectification, near-threshold oscillations, and resonance, which were not used as features. Thus, parameter optimization using genetic algorithms provided an efficient modeling strategy for reconstructing the biophysical properties of neurons and for the subsequent reconstruction of large-scale neuronal network models. PMID:28360841
Heuijerjans, Ashley; Matikainen, Marko K.; Julkunen, Petro; Eliasson, Pernilla; Aspenberg, Per; Isaksson, Hanna
2015-01-01
Background Computational models of Achilles tendons can help understanding how healthy tendons are affected by repetitive loading and how the different tissue constituents contribute to the tendon’s biomechanical response. However, available models of Achilles tendon are limited in their description of the hierarchical multi-structural composition of the tissue. This study hypothesised that a poroviscoelastic fibre-reinforced model, previously successful in capturing cartilage biomechanical behaviour, can depict the biomechanical behaviour of the rat Achilles tendon found experimentally. Materials and Methods We developed a new material model of the Achilles tendon, which considers the tendon’s main constituents namely: water, proteoglycan matrix and collagen fibres. A hyperelastic formulation of the proteoglycan matrix enabled computations of large deformations of the tendon, and collagen fibres were modelled as viscoelastic. Specimen-specific finite element models were created of 9 rat Achilles tendons from an animal experiment and simulations were carried out following a repetitive tensile loading protocol. The material model parameters were calibrated against data from the rats by minimising the root mean squared error (RMS) between experimental force data and model output. Results and Conclusions All specimen models were successfully fitted to experimental data with high accuracy (RMS 0.42-1.02). Additional simulations predicted more compliant and soft tendon behaviour at reduced strain-rates compared to higher strain-rates that produce a stiff and brittle tendon response. Stress-relaxation simulations exhibited strain-dependent stress-relaxation behaviour where larger strains produced slower relaxation rates compared to smaller strain levels. Our simulations showed that the collagen fibres in the Achilles tendon are the main load-bearing component during tensile loading, where the orientation of the collagen fibres plays an important role for the tendon
Dente, Christopher J; Bradley, Matthew; Schobel, Seth; Gaucher, Beverly; Buchman, Timothy; Kirk, Allan D; Elster, Eric
2017-10-01
The biomarker profile of trauma patients may allow for the creation of models to assist bedside decision making and prediction of complications. We sought to determine the utility of modeling in the prediction of bacteremia and pneumonia in combat casualties. This is a prospective, observational trial of patients with complex wounds treated at Walter Reed National Military Medical Center (2007-2012). Tissue, serum, and wound effluent samples were collected during operative interventions until wound closure. Clinical, biomarker, and outcome data were used in machine learning algorithms to develop models predicting bacteremia or pneumonia. Modeling was performed on the first operative washout to maximize predictive benefit. Variable selection of dataset variables was performed and the best-fitting Bayesian belief network (BBN), using Bayesian information criterion (BIC), was selected for predictive modeling. Random forest was performed using variables from BBN step. Model performance was evaluated using area under the receiver operating characteristic curve (AUC) analysis. Seventy-three patients (mean age 23, mean Injury Severity Score 25) were enrolled. Patients required a median of 3 (2-13) operations. The incidence of bacteremia and pneumonia was 22% and 12%, respectively. Best-fitting variable selected BBNs were maximum-minimum parents and children (MMPC) for both bacteremia (BIC-24948) and pneumonia (BIC-17886). Full variable and MMPC random forest models AUC were 0.721 and 0.834, respectively, for bacteremia and 0.809 and 0.856, respectively, for pneumonia. We identified a profile predictive of bacteremia and pneumonia in combat casualties. This has important clinical implications and should be validated in the civilian trauma population. This and similar tools will allow for increasing precision in the management of critically ill and injured patients. Prognostic, level III.
Fadlalla, Adam M.A.; Golob, Joseph F.
2012-01-01
Abstract Background Differentiation between infectious and non-infectious etiologies of the systemic inflammatory response syndrome (SIRS) in trauma patients remains elusive. We hypothesized that mathematical modeling in combination with computerized clinical decision support would assist with this differentiation. The purpose of this study was to determine the capability of various mathematical modeling techniques to predict infectious complications in critically ill trauma patients and compare the performance of these models with a standard fever workup practice (identifying infections on the basis of fever or leukocytosis). Methods An 18-mo retrospective database was created using information collected daily from critically ill trauma patients admitted to an academic surgical and trauma intensive care unit. Two hundred forty-three non-infected patient-days were chosen randomly to combine with the 243 infected-days, which created a modeling sample of 486 patient-days. Utilizing ten variables known to be associated with infectious complications, decision trees, neural networks, and logistic regression analysis models were created to predict the presence of urinary tract infections (UTIs), bacteremia, and respiratory tract infections (RTIs). The data sample was split into a 70% training set and a 30% testing set. Models were compared by calculating sensitivity, specificity, positive predictive value, negative predictive value, overall accuracy, and discrimination. Results Decision trees had the best modeling performance, with a sensitivity of 83%, an accuracy of 82%, and a discrimination of 0.91 for identifying infections. Both neural networks and decision trees outperformed logistic regression analysis. A second analysis was performed utilizing the same 243 infected days and only those non-infected patient-days associated with negative microbiologic cultures (n = 236). Decision trees again had the best modeling performance for infection identification, with a
Krokhotin, Andrey; Dokholyan, Nikolay V
2015-01-01
Computational methods can provide significant insights into RNA structure and dynamics, bridging the gap in our understanding of the relationship between structure and biological function. Simulations enrich and enhance our understanding of data derived on the bench, as well as provide feasible alternatives to costly or technically challenging experiments. Coarse-grained computational models of RNA are especially important in this regard, as they allow analysis of events occurring in timescales relevant to RNA biological function, which are inaccessible through experimental methods alone. We have developed a three-bead coarse-grained model of RNA for discrete molecular dynamics simulations. This model is efficient in de novo prediction of short RNA tertiary structure, starting from RNA primary sequences of less than 50 nucleotides. To complement this model, we have incorporated additional base-pairing constraints and have developed a bias potential reliant on data obtained from hydroxyl probing experiments that guide RNA folding to its correct state. By introducing experimentally derived constraints to our computer simulations, we are able to make reliable predictions of RNA tertiary structures up to a few hundred nucleotides. Our refined model exemplifies a valuable benefit achieved through integration of computation and experimental methods.
Jalas, S.; Dornmair, I.; Lehe, R.; ...
2017-03-20
Particle in Cell (PIC) simulations are a widely used tool for the investigation of both laser- and beam-driven plasma acceleration. It is a known issue that the beam quality can be artificially degraded by numerical Cherenkov radiation (NCR) resulting primarily from an incorrectly modeled dispersion relation. Pseudo-spectral solvers featuring infinite order stencils can strongly reduce NCR - or even suppress it - and are therefore well suited to correctly model the beam properties. For efficient parallelization of the PIC algorithm, however, localized solvers are inevitable. Arbitrary order pseudo-spectral methods provide this needed locality. Yet, these methods can again be pronemore » to NCR. Here in this paper, we show that acceptably low solver orders are sufficient to correctly model the physics of interest, while allowing for parallel computation by domain decomposition.« less
A chromatin structure-based model accurately predicts DNA replication timing in human cells.
Gindin, Yevgeniy; Valenzuela, Manuel S; Aladjem, Mirit I; Meltzer, Paul S; Bilke, Sven
2014-03-28
The metazoan genome is replicated in precise cell lineage-specific temporal order. However, the mechanism controlling this orchestrated process is poorly understood as no molecular mechanisms have been identified that actively regulate the firing sequence of genome replication. Here, we develop a mechanistic model of genome replication capable of predicting, with accuracy rivaling experimental repeats, observed empirical replication timing program in humans. In our model, replication is initiated in an uncoordinated (time-stochastic) manner at well-defined sites. The model contains, in addition to the choice of the genomic landmark that localizes initiation, only a single adjustable parameter of direct biological relevance: the number of replication forks. We find that DNase-hypersensitive sites are optimal and independent determinants of DNA replication initiation. We demonstrate that the DNA replication timing program in human cells is a robust emergent phenomenon that, by its very nature, does not require a regulatory mechanism determining a proper replication initiation firing sequence.
A cortico-subcortical model for generation of spatially accurate sequential saccades.
Dominey, P F; Arbib, M A
1992-01-01
This article provides a systems framework for the analysis of cortical and subcortical interactions in the control of saccadic eye movements, A major thesis of this model is that a topography of saccade direction and amplitude is preserved through multiple projections between brain regions until they are finally transformed into a temporal pattern of activity that drives the eyes to the target. The control of voluntary saccades to visual and remembered targets is modeled in terms of interactions between posterior parietal cortex, frontal eye fields, the basal ganglia (caudate and substantia nigra), superior colliculus, mediodorsal thalamus, and the saccade generator of the brainstem. Interactions include the modulation of eye movement motor error maps by topographic inhibitory projections, dynamic remapping of spatial target representations in saccade motor error maps, and sustained neural activity that embodies spatial memory. Models of these mechanisms implemented in our Neural Simulation Language simulate behavior and neural activity described in the literature, and suggest new experiments.
Structure refinement of protein model decoys requires accurate side-chain placement.
Olson, Mark A; Lee, Michael S
2013-03-01
In this study, the application of temperature-based replica-exchange (T-ReX) simulations for structure refinement of decoys taken from the I-TASSER dataset was examined. A set of eight nonredundant proteins was investigated using self-guided Langevin dynamics (SGLD) with a generalized Born implicit solvent model to sample conformational space. For two of the protein test cases, a comparison of the SGLD/T-ReX method with that of a hybrid explicit/implicit solvent molecular dynamics T-ReX simulation model is provided. Additionally, the effect of side-chain placement among the starting decoy structures, using alternative rotamer conformations taken from the SCWRL4 modeling program, was investigated. The simulation results showed that, despite having near-native backbone conformations among the starting decoys, the determinant of their refinement is side-chain packing to a level that satisfies a minimum threshold of native contacts to allow efficient excursions toward the downhill refinement regime on the energy landscape. By repacking using SCWRL4 and by applying the RWplus statistical potential for structure identification, the SGLD/T-ReX simulations achieved refinement to an average of 38% increase in the number of native contacts relative to the original I-TASSER decoy sets and a 25% reduction in values of C(α) root-mean-square deviation. The hybrid model succeeded in obtaining a sharper funnel to low-energy states for a modeled target than the implicit solvent SGLD model; yet, structure identification remained roughly the same. Without meeting a threshold of near-native packing of side chains, the T-ReX simulations degrade the accuracy of the decoys, and subsequently, refinement becomes tantamount to the protein folding problem. Published 2012 Wiley Periodicals, Inc.
Fast and accurate modeling of molecular atomization energies with machine learning.
Rupp, Matthias; Tkatchenko, Alexandre; Müller, Klaus-Robert; von Lilienfeld, O Anatole
2012-02-03
We introduce a machine learning model to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only. The problem of solving the molecular Schrödinger equation is mapped onto a nonlinear statistical regression problem of reduced complexity. Regression models are trained on and compared to atomization energies computed with hybrid density-functional theory. Cross validation over more than seven thousand organic molecules yields a mean absolute error of ∼10 kcal/mol. Applicability is demonstrated for the prediction of molecular atomization potential energy curves.
Hackel, Richard P.
1992-01-01
A laser amplifier chain has a plurality of laser amplifiers arranged in a chain to sequentially amplify a low-power signal beam to produce a significantly higher-power output beam. Overall efficiency of such a chain is improved if high-gain, low efficiency amplifiers are placed on the upstream side of the chain where only a very small fraction of the total pumped power is received by the chain and low-gain, high-efficiency amplifiers are placed on the downstream side where a majority of pumping energy is received by the chain.
Hackel, R.P.
1992-10-20
A laser amplifier chain has a plurality of laser amplifiers arranged in a chain to sequentially amplify a low-power signal beam to produce a significantly higher-power output beam. Overall efficiency of such a chain is improved if high-gain, low efficiency amplifiers are placed on the upstream side of the chain where only a very small fraction of the total pumped power is received by the chain and low-gain, high-efficiency amplifiers are placed on the downstream side where a majority of pumping energy is received by the chain. 6 figs.
Pino, Francisco; Roé, Nuria; Aguiar, Pablo; Falcon, Carles; Ros, Domènec; Pavía, Javier
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: Three 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 recovery
Young, P G; Beresford-West, T B H; Coward, S R L; Notarberardino, B; Walker, B; Abdul-Aziz, A
2008-09-13
Image-based meshing is opening up exciting new possibilities for the application of computational continuum mechanics methods (finite-element and computational fluid dynamics) to a wide range of biomechanical and biomedical problems that were previously intractable owing to the difficulty in obtaining suitably realistic models. Innovative surface and volume mesh generation techniques have recently been developed, which convert three-dimensional imaging data, as obtained from magnetic resonance imaging, computed tomography, micro-CT and ultrasound, for example, directly into meshes suitable for use in physics-based simulations. These techniques have several key advantages, including the ability to robustly generate meshes for topologies of arbitrary complexity (such as bioscaffolds or composite micro-architectures) and with any number of constituent materials (multi-part modelling), providing meshes in which the geometric accuracy of mesh domains is only dependent on the image accuracy (image-based accuracy) and the ability for certain problems to model material inhomogeneity by assigning the properties based on image signal strength. Commonly used mesh generation techniques will be compared with the proposed enhanced volumetric marching cubes (EVoMaCs) approach and some issues specific to simulations based on three-dimensional image data will be discussed. A number of case studies will be presented to illustrate how these techniques can be used effectively across a wide range of problems from characterization of micro-scaffolds through to head impact modelling.
Developing an Accurate CFD Based Gust Model for the Truss Braced Wing Aircraft
NASA Technical Reports Server (NTRS)
Bartels, Robert E.
2013-01-01
The increased flexibility of long endurance aircraft having high aspect ratio wings necessitates attention to gust response and perhaps the incorporation of gust load alleviation. The design of civil transport aircraft with a strut or truss-braced high aspect ratio wing furthermore requires gust response analysis in the transonic cruise range. This requirement motivates the use of high fidelity nonlinear computational fluid dynamics (CFD) for gust response analysis. This paper presents the development of a CFD based gust model for the truss braced wing aircraft. A sharp-edged gust provides the gust system identification. The result of the system identification is several thousand time steps of instantaneous pressure coefficients over the entire vehicle. This data is filtered and downsampled to provide the snapshot data set from which a reduced order model is developed. A stochastic singular value decomposition algorithm is used to obtain a proper orthogonal decomposition (POD). The POD model is combined with a convolution integral to predict the time varying pressure coefficient distribution due to a novel gust profile. Finally the unsteady surface pressure response of the truss braced wing vehicle to a one-minus-cosine gust, simulated using the reduced order model, is compared with the full CFD.
Neonatal tolerance induction enables accurate evaluation of gene therapy for MPS I in a canine model
Hinderer, Christian; Bell, Peter; Louboutin, Jean-Pierre; Katz, Nathan; Zhu, Yanqing; Lin, Gloria; Choa, Ruth; Bagel, Jessica; O'Donnell, Patricia; Fitzgerald, Caitlin A.; Langan, Therese; Wang, Ping; Casal, Margret L.; Haskins, Mark E.; Wilson, James M.
2016-01-01
High fidelity animal models of human disease are essential for preclinical evaluation of novel gene and protein therapeutics. However, these studies can be complicated by exaggerated immune responses against the human transgene. Here we demonstrate that dogs with a genetic deficiency of the enzyme α-L-iduronidase (IDUA), a model of the lysosomal storage disease mucopolysaccharidosis type I (MPS I), can be rendered immunologically tolerant to human IDUA through neonatal exposure to the enzyme. Using MPS I dogs tolerized to human IDUA as neonates, we evaluated intrathecal delivery of an adeno-associated virus serotype 9 vector expressing human IDUA as a therapy for the central nervous system manifestations of MPS I. These studies established the efficacy of the human vector in the canine model, and allowed for estimation of the minimum effective dose, providing key information for the design of first-in-human trials. This approach can facilitate evaluation of human therapeutics in relevant animal models, and may also have clinical applications for the prevention of immune responses to gene and protein replacement therapies. PMID:27386755
Towards Relaxing the Spherical Solar Radiation Pressure Model for Accurate Orbit Predictions
NASA Astrophysics Data System (ADS)
Lachut, M.; Bennett, J.
2016-09-01
The well-known cannonball model has been used ubiquitously to capture the effects of atmospheric drag and solar radiation pressure on satellites and/or space debris for decades. While it lends itself naturally to spherical objects, its validity in the case of non-spherical objects has been debated heavily for years throughout the space situational awareness community. One of the leading motivations to improve orbit predictions by relaxing the spherical assumption, is the ongoing demand for more robust and reliable conjunction assessments. In this study, we explore the orbit propagation of a flat plate in a near-GEO orbit under the influence of solar radiation pressure, using a Lambertian BRDF model. Consequently, this approach will account for the spin rate and orientation of the object, which is typically determined in practice using a light curve analysis. Here, simulations will be performed which systematically reduces the spin rate to demonstrate the point at which the spherical model no longer describes the orbital elements of the spinning plate. Further understanding of this threshold would provide insight into when a higher fidelity model should be used, thus resulting in improved orbit propagations. Therefore, the work presented here is of particular interest to organizations and researchers that maintain their own catalog, and/or perform conjunction analyses.
Hinderer, Christian; Bell, Peter; Louboutin, Jean-Pierre; Katz, Nathan; Zhu, Yanqing; Lin, Gloria; Choa, Ruth; Bagel, Jessica; O'Donnell, Patricia; Fitzgerald, Caitlin A; Langan, Therese; Wang, Ping; Casal, Margret L; Haskins, Mark E; Wilson, James M
2016-09-01
High fidelity animal models of human disease are essential for preclinical evaluation of novel gene and protein therapeutics. However, these studies can be complicated by exaggerated immune responses against the human transgene. Here we demonstrate that dogs with a genetic deficiency of the enzyme α-l-iduronidase (IDUA), a model of the lysosomal storage disease mucopolysaccharidosis type I (MPS I), can be rendered immunologically tolerant to human IDUA through neonatal exposure to the enzyme. Using MPS I dogs tolerized to human IDUA as neonates, we evaluated intrathecal delivery of an adeno-associated virus serotype 9 vector expressing human IDUA as a therapy for the central nervous system manifestations of MPS I. These studies established the efficacy of the human vector in the canine model, and allowed for estimation of the minimum effective dose, providing key information for the design of first-in-human trials. This approach can facilitate evaluation of human therapeutics in relevant animal models, and may also have clinical applications for the prevention of immune responses to gene and protein replacement therapies. Copyright © 2016 Elsevier Inc. All rights reserved.
NASA Technical Reports Server (NTRS)
Ellison, Donald; Conway, Bruce; Englander, Jacob
2015-01-01
A significant body of work exists showing that providing a nonlinear programming (NLP) solver with expressions for the problem constraint gradient substantially increases the speed of program execution and can also improve the robustness of convergence, especially for local optimizers. Calculation of these derivatives is often accomplished through the computation of spacecraft's state transition matrix (STM). If the two-body gravitational model is employed as is often done in the context of preliminary design, closed form expressions for these derivatives may be provided. If a high fidelity dynamics model, that might include perturbing forces such as the gravitational effect from multiple third bodies and solar radiation pressure is used then these STM's must be computed numerically. We present a method for the power hardward model and a full ephemeris model. An adaptive-step embedded eight order Dormand-Prince numerical integrator is discussed and a method for the computation of the time of flight derivatives in this framework is presented. The use of these numerically calculated derivatieves offer a substantial improvement over finite differencing in the context of a global optimizer. Specifically the inclusion of these STM's into the low thrust missiondesign tool chain in use at NASA Goddard Spaceflight Center allows for an increased preliminary mission design cadence.
Advancements and challenges in generating accurate animal models of gestational diabetes mellitus.
Pasek, Raymond C; Gannon, Maureen
2013-12-01
The maintenance of glucose homeostasis during pregnancy is critical to the health and well-being of both the mother and the developing fetus. Strikingly, approximately 7% of human pregnancies are characterized by insufficient insulin production or signaling, resulting in gestational diabetes mellitus (GDM). In addition to the acute health concerns of hyperglycemia, women diagnosed with GDM during pregnancy have an increased incidence of complications during pregnancy as well as an increased risk of developing type 2 diabetes (T2D) later in life. Furthermore, children born to mothers diagnosed with GDM have increased incidence of perinatal complications, including hypoglycemia, respiratory distress syndrome, and macrosomia, as well as an increased risk of being obese or developing T2D as adults. No single environmental or genetic factor is solely responsible for the disease; instead, a variety of risk factors, including weight, ethnicity, genetics, and family history, contribute to the likelihood of developing GDM, making the generation of animal models that fully recapitulate the disease difficult. Here, we discuss and critique the various animal models that have been generated to better understand the etiology of diabetes during pregnancy and its physiological impacts on both the mother and the fetus. Strategies utilized are diverse in nature and include the use of surgical manipulation, pharmacological treatment, nutritional manipulation, and genetic approaches in a variety of animal models. Continued development of animal models of GDM is essential for understanding the consequences of this disease as well as providing insights into potential treatments and preventative measures.
Accurate prediction of the refractive index of polymers using first principles and data modeling
NASA Astrophysics Data System (ADS)
Afzal, Mohammad Atif Faiz; Cheng, Chong; Hachmann, Johannes
Organic polymers with a high refractive index (RI) have recently attracted considerable interest due to their potential application in optical and optoelectronic devices. The ability to tailor the molecular structure of polymers is the key to increasing the accessible RI values. Our work concerns the creation of predictive in silico models for the optical properties of organic polymers, the screening of large-scale candidate libraries, and the mining of the resulting data to extract the underlying design principles that govern their performance. This work was set up to guide our experimentalist partners and allow them to target the most promising candidates. Our model is based on the Lorentz-Lorenz equation and thus includes the polarizability and number density values for each candidate. For the former, we performed a detailed benchmark study of different density functionals, basis sets, and the extrapolation scheme towards the polymer limit. For the number density we devised an exceedingly efficient machine learning approach to correlate the polymer structure and the packing fraction in the bulk material. We validated the proposed RI model against the experimentally known RI values of 112 polymers. We could show that the proposed combination of physical and data modeling is both successful and highly economical to characterize a wide range of organic polymers, which is a prerequisite for virtual high-throughput screening.
Advancements and challenges in generating accurate animal models of gestational diabetes mellitus
Pasek, Raymond C.
2013-01-01
The maintenance of glucose homeostasis during pregnancy is critical to the health and well-being of both the mother and the developing fetus. Strikingly, approximately 7% of human pregnancies are characterized by insufficient insulin production or signaling, resulting in gestational diabetes mellitus (GDM). In addition to the acute health concerns of hyperglycemia, women diagnosed with GDM during pregnancy have an increased incidence of complications during pregnancy as well as an increased risk of developing type 2 diabetes (T2D) later in life. Furthermore, children born to mothers diagnosed with GDM have increased incidence of perinatal complications, including hypoglycemia, respiratory distress syndrome, and macrosomia, as well as an increased risk of being obese or developing T2D as adults. No single environmental or genetic factor is solely responsible for the disease; instead, a variety of risk factors, including weight, ethnicity, genetics, and family history, contribute to the likelihood of developing GDM, making the generation of animal models that fully recapitulate the disease difficult. Here, we discuss and critique the various animal models that have been generated to better understand the etiology of diabetes during pregnancy and its physiological impacts on both the mother and the fetus. Strategies utilized are diverse in nature and include the use of surgical manipulation, pharmacological treatment, nutritional manipulation, and genetic approaches in a variety of animal models. Continued development of animal models of GDM is essential for understanding the consequences of this disease as well as providing insights into potential treatments and preventative measures. PMID:24085033
ERIC Educational Resources Information Center
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…
ERIC Educational Resources Information Center
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…
Accurate representation of organized convection in CFSv2 via a stochastic lattice model
NASA Astrophysics Data System (ADS)
Goswami, B. B.; Khouider, B.; Krishna, R. P. M. M.; Mukhopadhyay, P.; Majda, A.
2016-12-01
General circulation models (GCM) show limitations of various sorts in their representation of synoptic and intra-seasonal variability associated with tropical convective systems apart from the success of superparameterization and cloud system permitting global models. This systematic deficiency is believed to be due to the inadequate treatment of organized convection by the underlying cumulus parameterizations, which have the quasi-equilibrium assumption as a common denominator. By its nature, this assumption neglects the continuous interactions across scales between convection and the large scale dynamics. By design, the stochastic multicloud model (SMCM) mimics the interactions between the three cloud types, congestus, deep, and stratiform, that are observed to play a central role across multiple scales in the dynamics and physical structure of tropical convective systems. It is based on a stochastic lattice model, overlaid over each GCM grid box, where an order parameter taking the values 0,1,2,3 at each lattice site according to whether the site is clear sky or occupied by a congestus, deep, or stratiform cloud, respectively. As such the SMCM mimics the unresolved variability due to cumulus convection and the interactions across multiple scales of organized convective systems, following the philosophy of superparameterization. Here, we discuss the implementation of the SMCM in NCEP Climate Forecast System model (CFS), version-2, through the use of a simple parametrization of adiabatic heating and moisture sink due to cumulus clouds based on their observed vertical profiles (a.k.a Q1 and Q2). Much like the success of superparameterization but without the burden of high computational cost, a 20 year run showed tremendous improvements in the ability of the CFS-SMCM model to represent synoptic and intraseasonal variability associated with organized convection as well as a few minor improvements in the simulated climatology when compared to the control CFSv2 model
Sapsis, Themistoklis P; Majda, Andrew J
2013-08-20
A framework for low-order predictive statistical modeling and uncertainty quantification in turbulent dynamical systems is developed here. These reduced-order, modified quasilinear Gaussian (ROMQG) algorithms apply to turbulent dynamical systems in which there is significant linear instability or linear nonnormal dynamics in the unperturbed system and energy-conserving nonlinear interactions that transfer energy from the unstable modes to the stable modes where dissipation occurs, resulting in a statistical steady state; such turbulent dynamical systems are ubiquitous in geophysical and engineering turbulence. The ROMQG method involves constructing a low-order, nonlinear, dynamical system for the mean and covariance statistics in the reduced subspace that has the unperturbed statistics as a stable fixed point and optimally incorporates the indirect effect of non-Gaussian third-order statistics for the unperturbed system in a systematic calibration stage. This calibration procedure is achieved through information involving only the mean and covariance statistics for the unperturbed equilibrium. The performance of the ROMQG algorithm is assessed on two stringent test cases: the 40-mode Lorenz 96 model mimicking midlatitude atmospheric turbulence and two-layer baroclinic models for high-latitude ocean turbulence with over 125,000 degrees of freedom. In the Lorenz 96 model, the ROMQG algorithm with just a single mode captures the transient response to random or deterministic forcing. For the baroclinic ocean turbulence models, the inexpensive ROMQG algorithm with 252 modes, less than 0.2% of the total, captures the nonlinear response of the energy, the heat flux, and even the one-dimensional energy and heat flux spectra.
Accurate 2D/3D electromagnetic modeling for time-domain airborne EM systems
NASA Astrophysics Data System (ADS)
Yin, C.; Hodges, G.
2012-12-01
The existing industry software cannot deliver correct results for 3D time-domain airborne EM responses. In this paper, starting from the Fourier transform and convolution, we compare the stability of different modeling techniques and analyze the reason for instable calculations of the time-domain airborne EM responses. We find that the singularity of the impulse responses of EM systems at very early time that are used in the convolution is responsible for the instability of the modeling (Fig.1). Based on this finding, we put forward an algorithm that uses step response rather than impulse response of the airborne EM system for the convolution and create a stable algorithm that delivers precise results and maintains well the integral/derivative relationship between the magnetic field B and the magnetic induction dB/dt. A three-step transformation procedure for the modeling is proposed: 1) output the frequency-domain EM response data from the existing software; 2) transform into step-response by digital Fourier/Hankel transform; 3) convolve the step response with the transmitting current or its derivatives. The method has proved to be working very well (Fig. 2). The algorithm can be extended to the modeling of other time-domain ground and airborne EM system responses.Fig. 1: Comparison of impulse and step responses for an airborne EM system Fig. 2: Bz and dBz/dt calculated from step (middle panel) and impulse responses (lower panel) for the same 3D model as in Fig.1.
Yu, Victoria Y.; Tran, Angelia; Nguyen, Dan; Cao, Minsong; Ruan, Dan; Low, Daniel A.; Sheng, Ke
2015-01-01
Purpose: Significant dosimetric benefits had been previously demonstrated in highly noncoplanar treatment plans. In this study, the authors developed and verified an individualized collision model for the purpose of delivering highly noncoplanar radiotherapy and tested the feasibility of total delivery automation with Varian TrueBeam developer mode. Methods: A hand-held 3D scanner was used to capture the surfaces of an anthropomorphic phantom and a human subject, which were positioned with a computer-aided design model of a TrueBeam machine to create a detailed virtual geometrical collision model. The collision model included gantry, collimator, and couch motion degrees of freedom. The accuracy of the 3D scanner was validated by scanning a rigid cubical phantom with known dimensions. The collision model was then validated by generating 300 linear accelerator orientations corresponding to 300 gantry-to-couch and gantry-to-phantom distances, and comparing the corresponding distance measurements to their corresponding models. The linear accelerator orientations reflected uniformly sampled noncoplanar beam angles to the head, lung, and prostate. The distance discrepancies between measurements on the physical and virtual systems were used to estimate treatment-site-specific safety buffer distances with 0.1%, 0.01%, and 0.001% probability of collision between the gantry and couch or phantom. Plans containing 20 noncoplanar beams to the brain, lung, and prostate optimized via an in-house noncoplanar radiotherapy platform were converted into XML script for automated delivery and the entire delivery was recorded and timed to demonstrate the feasibility of automated delivery. Results: The 3D scanner measured the dimension of the 14 cm cubic phantom within 0.5 mm. The maximal absolute discrepancy between machine and model measurements for gantry-to-couch and gantry-to-phantom was 0.95 and 2.97 cm, respectively. The reduced accuracy of gantry-to-phantom measurements was
Yu, Victoria Y.; Tran, Angelia; Nguyen, Dan; Cao, Minsong; Ruan, Dan; Low, Daniel A.; Sheng, Ke
2015-11-15
Purpose: Significant dosimetric benefits had been previously demonstrated in highly noncoplanar treatment plans. In this study, the authors developed and verified an individualized collision model for the purpose of delivering highly noncoplanar radiotherapy and tested the feasibility of total delivery automation with Varian TrueBeam developer mode. Methods: A hand-held 3D scanner was used to capture the surfaces of an anthropomorphic phantom and a human subject, which were positioned with a computer-aided design model of a TrueBeam machine to create a detailed virtual geometrical collision model. The collision model included gantry, collimator, and couch motion degrees of freedom. The accuracy of the 3D scanner was validated by scanning a rigid cubical phantom with known dimensions. The collision model was then validated by generating 300 linear accelerator orientations corresponding to 300 gantry-to-couch and gantry-to-phantom distances, and comparing the corresponding distance measurements to their corresponding models. The linear accelerator orientations reflected uniformly sampled noncoplanar beam angles to the head, lung, and prostate. The distance discrepancies between measurements on the physical and virtual systems were used to estimate treatment-site-specific safety buffer distances with 0.1%, 0.01%, and 0.001% probability of collision between the gantry and couch or phantom. Plans containing 20 noncoplanar beams to the brain, lung, and prostate optimized via an in-house noncoplanar radiotherapy platform were converted into XML script for automated delivery and the entire delivery was recorded and timed to demonstrate the feasibility of automated delivery. Results: The 3D scanner measured the dimension of the 14 cm cubic phantom within 0.5 mm. The maximal absolute discrepancy between machine and model measurements for gantry-to-couch and gantry-to-phantom was 0.95 and 2.97 cm, respectively. The reduced accuracy of gantry-to-phantom measurements was
Are satellite based rainfall estimates accurate enough for crop modelling under Sahelian climate?
NASA Astrophysics Data System (ADS)
Ramarohetra, J.; Sultan, B.
2012-04-01
Agriculture is considered as the most climate dependant human activity. In West Africa and especially in the sudano-sahelian zone, rain-fed agriculture - that represents 93% of cultivated areas and is the means of support of 70% of the active population - is highly vulnerable to precipitation variability. To better understand and anticipate climate impacts on agriculture, crop models - that estimate crop yield from climate information (e.g rainfall, temperature, insolation, humidity) - have been developed. These crop models are useful (i) in ex ante analysis to quantify the impact of different strategies implementation - crop management (e.g. choice of varieties, sowing date), crop insurance or medium-range weather forecast - on yields, (ii) for early warning systems and to (iii) assess future food security. Yet, the successful application of these models depends on the accuracy of their climatic drivers. In the sudano-sahelian zone , the quality of precipitation estimations is then a key factor to understand and anticipate climate impacts on agriculture via crop modelling and yield estimations. Different kinds of precipitation estimations can be used. Ground measurements have long-time series but an insufficient network density, a large proportion of missing values, delay in reporting time, and they have limited availability. An answer to these shortcomings may lie in the field of remote sensing that provides satellite-based precipitation estimations. However, satellite-based rainfall estimates (SRFE) are not a direct measurement but rather an estimation of precipitation. Used as an input for crop models, it determines the performance of the simulated yield, hence SRFE require validation. The SARRAH crop model is used to model three different varieties of pearl millet (HKP, MTDO, Souna3) in a square degree centred on 13.5°N and 2.5°E, in Niger. Eight satellite-based rainfall daily products (PERSIANN, CMORPH, TRMM 3b42-RT, GSMAP MKV+, GPCP, TRMM 3b42v6, RFEv2 and
Leng, Wei; Ju, Lili; Gunzburger, Max; Price, Stephen; Ringler, Todd
2012-01-04
The numerical modeling of glacier and ice sheet evolution is a subject of growing interest, in part because of the potential for models to inform estimates of global sea level change. This paper focuses on the development of a numerical model that determines the velocity and pressure fields within an ice sheet. Our numerical model features a high-fidelity mathematical model involving the nonlinear Stokes system and combinations of no-sliding and sliding basal boundary conditions, high-order accurate finite element discretizations based on variable resolution grids, and highly scalable parallel solution strategies, all of which contribute to a numerical model that can achieve accurate velocity and pressure approximations in a highly efficient manner. We demonstrate the accuracy and efficiency of our model by analytical solution tests, established ice sheet benchmark experiments, and comparisons with other well-established ice sheet models.
NASA Technical Reports Server (NTRS)
Hunt, Mitchell; Sayyah, Rana; Mitchell, Cody; Laws, Crystal; MacLeod, Todd C.; Ho, Fat D.
2013-01-01
Mathematical models of the common-source and common-gate amplifiers using metal-ferroelectric- semiconductor field effect transistors (MOSFETs) are developed in this paper. The models are compared against data collected with MOSFETs of varying channel lengths and widths, and circuit parameters such as biasing conditions are varied as well. Considerations are made for the capacitance formed by the ferroelectric layer present between the gate and substrate of the transistors. Comparisons between the modeled and measured data are presented in depth as well as differences and advantages as compared to the performance of each circuit using a MOSFET.
Accurate dynamic power estimation for CMOS combinational logic circuits with real gate delay model.
Fadl, Omnia S; Abu-Elyazeed, Mohamed F; Abdelhalim, Mohamed B; Amer, Hassanein H; Madian, Ahmed H
2016-01-01
Dynamic power estimation is essential in designing VLSI circuits where many parameters are involved but the only circuit parameter that is related to the circuit operation is the nodes' toggle rate. This paper discusses a deterministic and fast method to estimate the dynamic power consumption for CMOS combinational logic circuits using gate-level descriptions based on the Logic Pictures concept to obtain the circuit nodes' toggle rate. The delay model for the logic gates is the real-delay model. To validate the results, the method is applied to several circuits and compared against exhaustive, as well as Monte Carlo, simulations. The proposed technique was shown to save up to 96% processing time compared to exhaustive simulation.
An accurate two-phase approximate solution to the acute viral infection model
Perelson, Alan S
2009-01-01
During an acute viral infection, virus levels rise, reach a peak and then decline. Data and numerical solutions suggest the growth and decay phases are linear on a log scale. While viral dynamic models are typically nonlinear with analytical solutions difficult to obtain, the exponential nature of the solutions suggests approximations can be found. We derive a two-phase approximate solution to the target cell limited influenza model and illustrate the accuracy using data and previously established parameter values of six patients infected with influenza A. For one patient, the subsequent fall in virus concentration was not consistent with our predictions during the decay phase and an alternate approximation is derived. We find expressions for the rate and length of initial viral growth in terms of the parameters, the extent each parameter is involved in viral peaks, and the single parameter responsible for virus decay. We discuss applications of this analysis in antiviral treatments and investigating host and virus heterogeneities.
A Multidimensional B-Spline Correction for Accurate Modeling Sugar Puckering in QM/MM Simulations.
Huang, Ming; Dissanayake, Thakshila; Kuechler, Erich; Radak, Brian K; Lee, Tai-Sung; Giese, Timothy J; York, Darrin M
2017-09-12
The computational efficiency of approximate quantum mechanical methods allows their use for the construction of multidimensional reaction free energy profiles. It has recently been demonstrated that quantum models based on the neglect of diatomic differential overlap (NNDO) approximation have difficulty modeling deoxyribose and ribose sugar ring puckers and thus limit their predictive value in the study of RNA and DNA systems. A method has been introduced in our previous work to improve the description of the sugar puckering conformational landscape that uses a multidimensional B-spline correction map (BMAP correction) for systems involving intrinsically coupled torsion angles. This method greatly improved the adiabatic potential energy surface profiles of DNA and RNA sugar rings relative to high-level ab initio methods even for highly problematic NDDO-based models. In the present work, a BMAP correction is developed, implemented, and tested in molecular dynamics simulations using the AM1/d-PhoT semiempirical Hamiltonian for biological phosphoryl transfer reactions. Results are presented for gas-phase adiabatic potential energy surfaces of RNA transesterification model reactions and condensed-phase QM/MM free energy surfaces for nonenzymatic and RNase A-catalyzed transesterification reactions. The results show that the BMAP correction is stable, efficient, and leads to improvement in both the potential energy and free energy profiles for the reactions studied, as compared with ab initio and experimental reference data. Exploration of the effect of the size of the quantum mechanical region indicates the best agreement with experimental reaction barriers occurs when the full CpA dinucleotide substrate is treated quantum mechanically with the sugar pucker correction.
Robust and Accurate Modeling Approaches for Migraine Per-Patient Prediction from Ambulatory Data.
Pagán, Josué; De Orbe, M Irene; Gago, Ana; Sobrado, Mónica; Risco-Martín, José L; Mora, J Vivancos; Moya, José M; Ayala, José L
2015-06-30
Migraine is one of the most wide-spread neurological disorders, and its medical treatment represents a high percentage of the costs of health systems. In some patients, characteristic symptoms that precede the headache appear. However, they are nonspecific, and their prediction horizon is unknown and pretty variable; hence, these symptoms are almost useless for prediction, and they are not useful to advance the intake of drugs to be effective and neutralize the pain. To solve this problem, this paper sets up a realistic monitoring scenario where hemodynamic variables from real patients are monitored in ambulatory conditions with a wireless body sensor network (WBSN). The acquired data are used to evaluate the predictive capabilities and robustness against noise and failures in sensors of several modeling approaches. The obtained results encourage the development of per-patient models based on state-space models (N4SID) that are capable of providing average forecast windows of 47 min and a low rate of false positives.
Robust and Accurate Modeling Approaches for Migraine Per-Patient Prediction from Ambulatory Data
Pagán, Josué; Irene De Orbe, M.; Gago, Ana; Sobrado, Mónica; Risco-Martín, José L.; Vivancos Mora, J.; Moya, José M.; Ayala, José L.
2015-01-01
Migraine is one of the most wide-spread neurological disorders, and its medical treatment represents a high percentage of the costs of health systems. In some patients, characteristic symptoms that precede the headache appear. However, they are nonspecific, and their prediction horizon is unknown and pretty variable; hence, these symptoms are almost useless for prediction, and they are not useful to advance the intake of drugs to be effective and neutralize the pain. To solve this problem, this paper sets up a realistic monitoring scenario where hemodynamic variables from real patients are monitored in ambulatory conditions with a wireless body sensor network (WBSN). The acquired data are used to evaluate the predictive capabilities and robustness against noise and failures in sensors of several modeling approaches. The obtained results encourage the development of per-patient models based on state-space models (N4SID) that are capable of providing average forecast windows of 47 min and a low rate of false positives. PMID:26134103
Horner, Marc; Muralikrishnan, R.
2010-01-01
ABSTRACT Purpose A computational fluid dynamics (CFD) study examined the impact of particle size on dissolution rate and residence of intravitreal suspension depots of Triamcinolone Acetonide (TAC). Methods A model for the rabbit eye was constructed using insights from high-resolution NMR imaging studies (Sawada 2002). The current model was compared to other published simulations in its ability to predict clearance of various intravitreally injected materials. Suspension depots were constructed explicitly rendering individual particles in various configurations: 4 or 16 mg drug confined to a 100 μL spherical depot, or 4 mg exploded to fill the entire vitreous. Particle size was reduced systematically in each configuration. The convective diffusion/dissolution process was simulated using a multiphase model. Results Release rate became independent of particle diameter below a certain value. The size-independent limits occurred for particle diameters ranging from 77 to 428 μM depending upon the depot configuration. Residence time predicted for the spherical depots in the size-independent limit was comparable to that observed in vivo. Conclusions Since the size-independent limit was several-fold greater than the particle size of commercially available pharmaceutical TAC suspensions, differences in particle size amongst such products are predicted to be immaterial to their duration or performance. PMID:20467888
Towards a More Accurate Solar Power Forecast By Improving NWP Model Physics
NASA Astrophysics Data System (ADS)
Köhler, C.; Lee, D.; Steiner, A.; Ritter, B.
2014-12-01
The growing importance and successive expansion of renewable energies raise new challenges for decision makers, transmission system operators, scientists and many more. In this interdisciplinary field, the role of Numerical Weather Prediction (NWP) is to reduce the uncertainties associated with the large share of weather-dependent power sources. Precise power forecast, well-timed energy trading on the stock market, and electrical grid stability can be maintained. The research project EWeLiNE is a collaboration of the German Weather Service (DWD), the Fraunhofer Institute (IWES) and three German transmission system operators (TSOs). Together, wind and photovoltaic (PV) power forecasts shall be improved by combining optimized NWP and enhanced power forecast models. The conducted work focuses on the identification of critical weather situations and the associated errors in the German regional NWP model COSMO-DE. Not only the representation of the model cloud characteristics, but also special events like Sahara dust over Germany and the solar eclipse in 2015 are treated and their effect on solar power accounted for. An overview of the EWeLiNE project and results of the ongoing research will be presented.
NASA Astrophysics Data System (ADS)
Naumenko, Mikhail; Guzivaty, Vadim; Sapelko, Tatiana
2016-04-01
Lake morphometry refers to physical factors (shape, size, structure, etc) that determine the lake depression. Morphology has a great influence on lake ecological characteristics especially on water thermal conditions and mixing depth. Depth analyses, including sediment measurement at various depths, volumes of strata and shoreline characteristics are often critical to the investigation of biological, chemical and physical properties of fresh waters as well as theoretical retention time. Management techniques such as loading capacity for effluents and selective removal of undesirable components of the biota are also dependent on detailed knowledge of the morphometry and flow characteristics. During the recent years a lake bathymetric surveys were carried out by using echo sounder with a high bottom depth resolution and GPS coordinate determination. Few digital bathymetric models have been created with 10*10 m spatial grid for some small lakes of Russian Plain which the areas not exceed 1-2 sq. km. The statistical characteristics of the depth and slopes distribution of these lakes calculated on an equidistant grid. It will provide the level-surface-volume variations of small lakes and reservoirs, calculated through combination of various satellite images. We discuss the methodological aspects of creating of morphometric models of depths and slopes of small lakes as well as the advantages of digital models over traditional methods.
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.
NASA Astrophysics Data System (ADS)
Blaclard, G.; Vincenti, H.; Lehe, R.; Vay, J. L.
2017-09-01
With the advent of petawatt class lasers, the very large laser intensities attainable on target should enable the production of intense high-order Doppler harmonics from relativistic laser-plasma mirror interactions. At present, the modeling of these harmonics with particle-in-cell (PIC) codes is extremely challenging as it implies an accurate description of tens to hundreds of harmonic orders on a broad range of angles. In particular, we show here that due to the numerical dispersion of waves they induce in vacuum, standard finite difference time domain (FDTD) Maxwell solvers employed in most PIC codes can induce a spurious angular deviation of harmonic beams potentially degrading simulation results. This effect was extensively studied and a simple toy model based on the Snell-Descartes law was developed that allows us to finely predict the angular deviation of harmonics depending on the spatiotemporal resolution and the Maxwell solver used in the simulations. Our model demonstrates that the mitigation of this numerical artifact with FDTD solvers mandates very high spatiotemporal resolution preventing realistic three-dimensional (3D) simulations even on the largest computers available at the time of writing. We finally show that nondispersive pseudospectral analytical time domain solvers can considerably reduce the spatiotemporal resolution required to mitigate this spurious deviation and should enable in the near future 3D accurate modeling on supercomputers in a realistic time to solution.
Cao, Hop S Tran; Kaushal, Sharmeela; Metildi, Cristina A; Menen, Rhiana S; Lee, Claudia; Snyder, Cynthia S; Messer, Karen; Pu, Minya; Luiken, George A; Talamini, Mark A; Hoffman, Robert M; Bouvet, Michael
2014-01-01
Background/Aims Laparoscopy is important in staging pancreatic cancer, but false negatives remain problematic. Making tumors fluorescent has the potential to improve the accuracy of staging laparoscopy. Methodology Orthotopic and carcinomatosis models of pancreatic cancer were established with BxPC-3 human pancreatic cancer cells in nude mice. Alexa488-anti-CEA conjugates were injected via tail vein 24 hours prior to laparoscopy. Mice were examined under bright field laparoscopic (BL) and fluorescence laparoscopic (FL) modes. Outcomes measured included time to identification of primary tumor for the orthotopic model and number of metastases identified within 2 minutes for the carcinomatosis model. Results FL enabled more rapid and accurate identification and localization of primary tumors and metastases than BL. Using BL took statistically significantly longer time than FL. More metastatic lesions were detected and localized under FL compared to BL and with greater accuracy, with sensitivities of 96% vs. 40%, respectively, when compared to control. FL was sensitive enough to detect metastatic lesions <1mm. Conclusions The use of fluorescence laparoscopy with tumors labeled with fluorophore-conjugated anti-CEA antibody permits rapid detection and accurate localization of primary and metastatic pancreatic cancer in an orthotopic model. The results of the present report demonstrate the future clinical potential of fluorescence laparoscopy. PMID:22369743
NASA Technical Reports Server (NTRS)
Stankiewicz, N.
1982-01-01
The multiple channel input signal to a soft limiter amplifier as a traveling wave tube is represented as a finite, linear sum of Gaussian functions in the frequency domain. Linear regression is used to fit the channel shapes to a least squares residual error. Distortions in output signal, namely intermodulation products, are produced by the nonlinear gain characteristic of the amplifier and constitute the principal noise analyzed in this study. The signal to noise ratios are calculated for various input powers from saturation to 10 dB below saturation for two specific distributions of channels. A criterion for the truncation of the series expansion of the nonlinear transfer characteristic is given. It is found that he signal to noise ratios are very sensitive to the coefficients used in this expansion. Improper or incorrect truncation of the series leads to ambiguous results in the signal to noise ratios.
Accurate, full chip 3D electromagnetic field model for non-Manhattan mask corners
NASA Astrophysics Data System (ADS)
Lam, Michael; Clifford, Chris; Oliver, Michael; Fryer, David; Tejnil, Edita; Adam, Kostas
2015-03-01
The physical process of mask manufacturing produces absorber geometry with significantly less than 90 degree fidelity at corners. The non-Manhattan mask geometry is an essential contributor to the aerial image and resulting patterning performance through focus. Current state of the art models for corner rounding employ "chopping" a 90 degree mask corner, replacing the corner with a small 45 degree edge. In this paper, a methodology is presented to approximate the impact of 3D EMF effects introduced by corners with rounded edges. The approach is integrated into a full chip 3D mask simulation methodology based on the Domain Decomposition Method (DDM) with edge to edge crosstalk correction.
Generation of Accurate Lateral Boundary Conditions for a Surface-Water Groundwater Interaction Model
NASA Astrophysics Data System (ADS)
Khambhammettu, P.; Tsou, M.; Panday, S. M.; Kool, J.; Wei, X.
2010-12-01
The 106 mile long Peace River in Florida flows south from Lakeland to Charlotte Harbor and has a drainage basin of approximately 2,350 square miles. A long-term decline in stream flows and groundwater potentiometric levels has been observed in the region. Long-term trends in rainfall, along with effects of land use changes on runoff, surface-water storage, recharge and evapotranspiration patterns, and increased groundwater and surface-water withdrawals have contributed to this decline. The South West Florida Water Management District (SWFWMD) has funded the development of the Peace River Integrated Model (PRIM) to assess the effects of land use, water use, and climatic changes on stream flows and to evaluate the effectiveness of various management alternatives for restoring stream flows. The PRIM was developed using MODHMS, a fully integrated surface-water groundwater flow and transport simulator developed by HydroGeoLogic, Inc. The development of the lateral boundary conditions (groundwater inflow and outflow) for the PRIM in both historical and predictive contexts is discussed in this presentation. Monthly-varying specified heads were used to define the lateral boundary conditions for the PRIM. These head values were derived from the coarser Southern District Groundwater Model (SDM). However, there were discrepancies between the simulated SDM heads and measured heads: the likely causes being spatial (use of a coarser grid) and temporal (monthly average pumping rates and recharge rates) approximations in the regional SDM. Finer re-calibration of the SDM was not feasible, therefore, an innovative approach was adopted to remove the discrepancies. In this approach, point discrepancies/residuals between the observed and simulated heads were kriged with an appropriate variogram to generate a residual surface. This surface was then added to the simulated head surface of the SDM to generate a corrected head surface. This approach preserves the trends associated with
Key Issues for an Accurate Modelling of GaSb TPV Converters
NASA Astrophysics Data System (ADS)
Martín, Diego; Algora, Carlos
2003-01-01
GaSb TPV devices are commonly manufactured by Zn diffusion from the vapour phase on a n-type substrate, leading to very high doping concentrations in a narrow emitter. This fact emphasizes the need of a careful modelling that must include high doping effects to simulate the optoelectronic behaviour of devices. In this work the key parameters that have strong influence on the performance of GaSb TPV devices are underlined, more reliable values are suggested and our first results on the study of the absorption coefficient dependence with p-type high doping concentration are presented.
Considering mask pellicle effect for more accurate OPC model at 45nm technology node
NASA Astrophysics Data System (ADS)
Wang, Ching-Heng; Liu, Qingwei; Zhang, Liguo
2008-11-01
Now it comes to the 45nm technology node, which should be the first generation of the immersion micro-lithography. And the brand-new lithography tool makes many optical effects, which can be ignored at 90nm and 65nm nodes, now have significant impact on the pattern transmission process from design to silicon. Among all the effects, one that needs to be pay attention to is the mask pellicle effect's impact on the critical dimension variation. With the implement of hyper-NA lithography tools, light transmits the mask pellicle vertically is not a good approximation now, and the image blurring induced by the mask pellicle should be taken into account in the computational microlithography. In this works, we investigate how the mask pellicle impacts the accuracy of the OPC model. And we will show that considering the extremely tight critical dimension control spec for 45nm generation node, to take the mask pellicle effect into the OPC model now becomes necessary.
Accurate early-time and late-time modeling of countercurrent spontaneous imbibition
NASA Astrophysics Data System (ADS)
March, Rafael; Doster, Florian; Geiger, Sebastian
2016-08-01
Spontaneous countercurrent imbibition into a finite porous medium is an important physical mechanism for many applications, included but not limited to irrigation, CO2 storage, and oil recovery. Symmetry considerations that are often valid in fractured porous media allow us to study the process in a one-dimensional domain. In 1-D, for incompressible fluids and homogeneous rocks, the onset of imbibition can be captured by self-similar solutions and the imbibed volume scales with √t. At later times, the imbibition rate decreases and the finite size of the medium has to be taken into account. This requires numerical solutions. Here we present a new approach to approximate the whole imbibition process semianalytically. The onset is captured by a semianalytical solution. We also provide an a priori estimate of the time until which the imbibed volume scales with √t. This time is significantly longer than the time it takes until the imbibition front reaches the model boundary. The remainder of the imbibition process is obtained from a self-similarity solution. We test our approach against numerical solutions that employ parametrizations relevant for oil recovery and CO2 sequestration. We show that this concept improves common first-order approaches that heavily underestimate early-time behavior and note that it can be readily included into dual-porosity models.
TTLEM: Open access tool for building numerically accurate landscape evolution models in MATLAB
NASA Astrophysics Data System (ADS)
Campforts, Benjamin; Schwanghart, Wolfgang; Govers, Gerard
2017-04-01
Despite a growing interest in LEMs, accuracy assessment of the numerical methods they are based on has received little attention. Here, we present TTLEM which is an open access landscape evolution package designed to develop and test your own scenarios and hypothesises. TTLEM uses a higher order flux-limiting finite-volume method to simulate river incision and tectonic displacement. We show that this scheme significantly influences the evolution of simulated landscapes and the spatial and temporal variability of erosion rates. Moreover, it allows the simulation of lateral tectonic displacement on a fixed grid. Through the use of a simple GUI the software produces visible output of evolving landscapes through model run time. In this contribution, we illustrate numerical landscape evolution through a set of movies spanning different spatial and temporal scales. We focus on the erosional domain and use both spatially constant and variable input values for uplift, lateral tectonic shortening, erodibility and precipitation. Moreover, we illustrate the relevance of a stochastic approach for realistic hillslope response modelling. TTLEM is a fully open source software package, written in MATLAB and based on the TopoToolbox platform (topotoolbox.wordpress.com). Installation instructions can be found on this website and the therefore designed GitHub repository.
Accurate modeling of SiPM detectors coupled to FE electronics for timing performance analysis
NASA Astrophysics Data System (ADS)
Ciciriello, F.; Corsi, F.; Licciulli, F.; Marzocca, C.; Matarrese, G.; Del Guerra, A.; Bisogni, M. G.
2013-08-01
It has already been shown how the shape of the current pulse produced by a SiPM in response to an incident photon is sensibly affected by the characteristics of the front-end electronics (FEE) used to read out the detector. When the application requires to approach the best theoretical time performance of the detection system, the influence of all the parasitics associated to the coupling SiPM-FEE can play a relevant role and must be adequately modeled. In particular, it has been reported that the shape of the current pulse is affected by the parasitic inductance of the wiring connection between SiPM and FEE. In this contribution, we extend the validity of a previously presented SiPM model to account for the wiring inductance. Various combinations of the main performance parameters of the FEE (input resistance and bandwidth) have been simulated in order to evaluate their influence on the time accuracy of the detection system, when the time pick-off of each single event is extracted by means of a leading edge discriminator (LED) technique.
Accurate, full-chip, three-dimensional electromagnetic field model for non-Manhattan mask corners
NASA Astrophysics Data System (ADS)
Lam, Michael C.; Clifford, Chris; Oliver, Mike; Fryer, David; Tejnil, Edita; Adam, Kostas
2016-04-01
The physical process of mask manufacturing produces absorber geometry with significant deviations from the 90-deg corners, which are typically assumed in the mask design. The non-Manhattan mask geometry is an essential contributor to the aerial image and resulting patterning performance through focus. Current state-of-the-art models for corner rounding employ "chopping" a 90-deg mask corner, replacing the corner with a small 45-deg edge. A methodology is presented to approximate the impact of three-dimensional (3-D) EMF effects introduced by corners with rounded edges. The approach is integrated into a full-chip 3-D mask simulation methodology based on the domain decomposition method with edge to edge crosstalk correction.
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.
Secular Orbit Evolution in Systems with a Strong External Perturber - A Simple and Accurate Model
NASA Astrophysics Data System (ADS)
Andrade-Ines, Eduardo; Eggl, Siegfried
2017-04-01
We present a semi-analytical correction to the seminal solution for the secular motion of a planet’s orbit under gravitational influence of an external perturber derived by Heppenheimer. A comparison between analytical predictions and numerical simulations allows us to determine corrective factors for the secular frequency and forced eccentricity in the coplanar restricted three-body problem. The correction is given in the form of a polynomial function of the system’s parameters that can be applied to first-order forced eccentricity and secular frequency estimates. The resulting secular equations are simple, straight forward to use, and improve the fidelity of Heppenheimers solution well beyond higher-order models. The quality and convergence of the corrected secular equations are tested for a wide range of parameters and limits of its applicability are given.
TRIM—3D: a three-dimensional model for accurate simulation of shallow water flow
Casulli, Vincenzo; Bertolazzi, Enrico; Cheng, Ralph T.
1993-01-01
A semi-implicit finite difference formulation for the numerical solution of three-dimensional tidal circulation is discussed. The governing equations are the three-dimensional Reynolds equations in which the pressure is assumed to be hydrostatic. A minimal degree of implicitness has been introduced in the finite difference formula so that the resulting algorithm permits the use of large time steps at a minimal computational cost. This formulation includes the simulation of flooding and drying of tidal flats, and is fully vectorizable for an efficient implementation on modern vector computers. The high computational efficiency of this method has made it possible to provide the fine details of circulation structure in complex regions that previous studies were unable to obtain. For proper interpretation of the model results suitable interactive graphics is also an essential tool.
Accurate Modeling of Laser-Plasma Accelerators with Particle-In-Cell Codes
NASA Astrophysics Data System (ADS)
Michel, E.; Shadwick, B.; Schroeder, C.; Geddes, C.; Esarey, E.; Leemans, W. P.; Ruhl, H.; Cowan, T.
2006-10-01
Recent experiments have demonstrated the production of high quality electron bunches at 1 GeV by a laser plasma accelerator. Here the bunch electrons are self-trapped and accelerated from the background plasma. The degree of self-trapping can be a strong function of plasma temperature. We investigate numerical heating and macro-particles push errors due to the grid in 2D PIC simulations. The effects of grid resolution, laser polarization and particle shape on the plasma momentum spread are studied. We find that particle smoothness improves the particle push description and reduces numerical heating. Reducing the phase-space errors associated with numerical heating is essential for a detailed modeling of self-trapping in laser-plasma accelerators. Simulations of high quality bunch production for self-trapping and for laser injection methods will be presented. W.P. Leemans et al., submitted.
A microbial clock provides an accurate estimate of the postmortem interval in a mouse model system
Metcalf, Jessica L; Wegener Parfrey, Laura; Gonzalez, Antonio; Lauber, Christian L; Knights, Dan; Ackermann, Gail; Humphrey, Gregory C; Gebert, Matthew J; Van Treuren, Will; Berg-Lyons, Donna; Keepers, Kyle; Guo, Yan; Bullard, James; Fierer, Noah; Carter, David O; Knight, Rob
2013-01-01
Establishing the time since death is critical in every death investigation, yet existing techniques are susceptible to a range of errors and biases. For example, forensic entomology is widely used to assess the postmortem interval (PMI), but errors can range from days to months. Microbes may provide a novel method for estimating PMI that avoids many of these limitations. Here we show that postmortem microbial community changes are dramatic, measurable, and repeatable in a mouse model system, allowing PMI to be estimated within approximately 3 days over 48 days. Our results provide a detailed understanding of bacterial and microbial eukaryotic ecology within a decomposing corpse system and suggest that microbial community data can be developed into a forensic tool for estimating PMI. DOI: http://dx.doi.org/10.7554/eLife.01104.001 PMID:24137541
NASA Astrophysics Data System (ADS)
Naserifar, Saber; Brooks, Daniel J.; Goddard, William A.; Cvicek, Vaclav
2017-03-01
Electrostatic interactions play a critical role in determining the properties, structures, and dynamics of chemical, biochemical, and material systems. These interactions are described well at the level of quantum mechanics (QM) but not so well for the various models used in force field simulations of these systems. We propose and validate a new general methodology, denoted PQEq, to predict rapidly and dynamically the atomic charges and polarization underlying the electrostatic interactions. Here the polarization is described using an atomic sized Gaussian shaped electron density that can polarize away from the core in response to internal and external electric fields, while at the same time adjusting the charge on each core (described as a Gaussian function) so as to achieve a constant chemical potential across all atoms of the system. The parameters for PQEq are derived from experimental atomic properties of all elements up to Nobelium (atomic no. = 102). We validate PQEq by comparing to QM interaction energy as probe dipoles are brought along various directions up to 30 molecules containing H, C, N, O, F, Si, P, S, and Cl atoms. We find that PQEq predicts interaction energies in excellent agreement with QM, much better than other common charge models such as obtained from QM using Mulliken or ESP charges and those from standard force fields (OPLS and AMBER). Since PQEq increases the accuracy of electrostatic interactions and the response to external electric fields, we expect that PQEq will be useful for a large range of applications including ligand docking to proteins, catalytic reactions, electrocatalysis, ferroelectrics, and growth of ceramics and films, where it could be incorporated into standard force fields as OPLS, AMBER, CHARMM, Dreiding, ReaxFF, and UFF.
A new method based on the subpixel Gaussian model for accurate estimation of asteroid coordinates
NASA Astrophysics Data System (ADS)
Savanevych, V. E.; Briukhovetskyi, O. B.; Sokovikova, N. S.; Bezkrovny, M. M.; Vavilova, I. B.; Ivashchenko, Yu. M.; Elenin, L. V.; Khlamov, S. V.; Movsesian, Ia. S.; Dashkova, A. M.; Pogorelov, A. V.
2015-08-01
We describe a new iteration method to estimate asteroid coordinates, based on a subpixel Gaussian model of the discrete object image. The method operates by continuous parameters (asteroid coordinates) in a discrete observational space (the set of pixel potentials) of the CCD frame. In this model, the kind of coordinate distribution of the photons hitting a pixel of the CCD frame is known a priori, while the associated parameters are determined from a real digital object image. The method that is developed, which is flexible in adapting to any form of object image, has a high measurement accuracy along with a low calculating complexity, due to the maximum-likelihood procedure that is implemented to obtain the best fit instead of a least-squares method and Levenberg-Marquardt algorithm for minimization of the quadratic form. Since 2010, the method has been tested as the basis of our Collection Light Technology (COLITEC) software, which has been installed at several observatories across the world with the aim of the automatic discovery of asteroids and comets in sets of CCD frames. As a result, four comets (C/2010 X1 (Elenin), P/2011 NO1(Elenin), C/2012 S1 (ISON) and P/2013 V3 (Nevski)) as well as more than 1500 small Solar system bodies (including five near-Earth objects (NEOs), 21 Trojan asteroids of Jupiter and one Centaur object) have been discovered. We discuss these results, which allowed us to compare the accuracy parameters of the new method and confirm its efficiency. In 2014, the COLITEC software was recommended to all members of the Gaia-FUN-SSO network for analysing observations as a tool to detect faint moving objects in frames.
Biomechanical modeling provides more accurate data for neuronavigation than rigid registration
Garlapati, Revanth Reddy; Roy, Aditi; Joldes, Grand Roman; Wittek, Adam; Mostayed, Ahmed; Doyle, Barry; Warfield, Simon Keith; Kikinis, Ron; Knuckey, Neville; Bunt, Stuart; Miller, Karol
2015-01-01
It is possible to improve neuronavigation during image-guided surgery by warping the high-quality preoperative brain images so that they correspond with the current intraoperative configuration of the brain. In this work, the accuracy of registration results obtained using comprehensive biomechanical models is compared to the accuracy of rigid registration, the technology currently available to patients. This comparison allows us to investigate whether biomechanical modeling provides good quality image data for neuronavigation for a larger proportion of patients than rigid registration. Preoperative images for 33 cases of neurosurgery were warped onto their respective intraoperative configurations using both biomechanics-based method and rigid registration. We used a Hausdorff distance-based evaluation process that measures the difference between images to quantify the performance of both methods of registration. A statistical test for difference in proportions was conducted to evaluate the null hypothesis that the proportion of patients for whom improved neuronavigation can be achieved, is the same for rigid and biomechanics-based registration. The null hypothesis was confidently rejected (p-value<10−4). Even the modified hypothesis that less than 25% of patients would benefit from the use of biomechanics-based registration was rejected at a significance level of 5% (p-value = 0.02). The biomechanics-based method proved particularly effective for cases experiencing large craniotomy-induced brain deformations. The outcome of this analysis suggests that our nonlinear biomechanics-based methods are beneficial to a large proportion of patients and can be considered for use in the operating theatre as one possible method of improving neuronavigation and surgical outcomes. PMID:24460486
EXPLORING THE ENERGETICS OF INTRACLUSTER GAS WITH A SIMPLE AND ACCURATE MODEL
Bode, Paul; Ostriker, Jeremiah P.; Vikhlinin, Alexey E-mail: ostriker@princeton.edu
2009-08-01
The state of the hot gas in clusters of galaxies is investigated with a set of model clusters, created by assuming a polytropic equation of state ({gamma} = 1.2) and hydrostatic equilibrium inside gravitational potential wells drawn from a dark matter (DM) simulation. Star formation, energy input, and nonthermal pressure support are included. To match the gas fractions seen in nonradiative hydrodynamical simulations, roughly 5% of the binding energy of the DM must be transferred to the gas during cluster formation; the presence of nonthermal pressure support increases this value. In order to match X-ray observations, scale-free behavior must be broken. This can be due to either variation of the efficiency of star formation with cluster mass M{sub 500}, or the input of additional energy proportional to the formed stellar mass M{sub F} . These two processes have similar effects on X-ray scalings. If 9% of the gas is converted into stars, independent of cluster mass, then feedback energy input of 1.2 x 10{sup -5} M{sub F}c{sup 2} (or {approx}1.0 keV per particle) is required to match observed clusters. Alternatively, if the stellar mass fraction varies as {proportional_to}M {sup -0.26}{sub 500} then a lower feedback of 4 x 10{sup -6} M{sub F}c{sup 2} is needed, and if the stellar fraction varies as steeply as {proportional_to}M {sup -0.49}{sub 500} then no additional feedback is necessary. The model clusters reproduce the observed trends of gas temperature and gas mass fraction with cluster mass, as well as observed entropy and pressure profiles; thus they provide a calibrated basis with which to interpret upcoming Sunyaev-Zeldovich surveys. One consequence of the increased gas energy is that the baryon fraction inside the virial radius is {approx}<90% of the cosmic mean, even for the most massive clusters.
NASA Technical Reports Server (NTRS)
Sims, William Herbert, III; Bell, Joseph L. (Technical Monitor)
2001-01-01
Most nonlinear circuit analysis programs that exist today were designed primarily for transient analysis. By incorporating more accurate models in simulation programs, accurate predictions of GaAs field effect transistors (FET) behavior can be accomplished. However, should the designer need to simulate GaAs FETs that operate at high DC-to-RF conversion efficiencies, a more sophisticated model is needed. A relevant and appropriate method is called harmonic-balance, as described by Quere et al.
Tao, Jianmin; Rappe, Andrew M.
2016-01-21
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{sub 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{sub 8} and C{sub 10} between small molecules. We find that the higher-order vdW coefficients from this model can achieve remarkable accuracy, with mean absolute relative deviations of 5% for C{sub 8} and 7% for C{sub 10}. 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.
Slodownik, Dan; Grinberg, Igor; Spira, Ram M; Skornik, Yehuda; Goldstein, Ronald S
2009-04-01
The current standard method for predicting contact allergenicity is the murine local lymph node assay (LLNA). Public objection to the use of animals in testing of cosmetics makes the development of a system that does not use sentient animals highly desirable. The chorioallantoic membrane (CAM) of the chick egg has been extensively used for the growth of normal and transformed mammalian tissues. The CAM is not innervated, and embryos are sacrificed before the development of pain perception. The aim of this study was to determine whether the sensitization phase of contact dermatitis to known cosmetic allergens can be quantified using CAM-engrafted human skin and how these results compare with published EC3 data obtained with the LLNA. We studied six common molecules used in allergen testing and quantified migration of epidermal Langerhans cells (LC) as a measure of their allergic potency. All agents with known allergic potential induced statistically significant migration of LC. The data obtained correlated well with published data for these allergens generated using the LLNA test. The human-skin CAM model therefore has great potential as an inexpensive, non-radioactive, in vivo alternative to the LLNA, which does not require the use of sentient animals. In addition, this system has the advantage of testing the allergic response of human, rather than animal skin.
Accurate analytical modelling of cosmic ray induced failure rates of power semiconductor devices
NASA Astrophysics Data System (ADS)
Bauer, Friedhelm D.
2009-06-01
A new, simple and efficient approach is presented to conduct estimations of the cosmic ray induced failure rate for high voltage silicon power devices early in the design phase. This allows combining common design issues such as device losses and safe operating area with the constraints imposed by the reliability to result in a better and overall more efficient design methodology. Starting from an experimental and theoretical background brought forth a few yeas ago [Kabza H et al. Cosmic radiation as a cause for power device failure and possible countermeasures. In: Proceedings of the sixth international symposium on power semiconductor devices and IC's, Davos, Switzerland; 1994. p. 9-12, Zeller HR. Cosmic ray induced breakdown in high voltage semiconductor devices, microscopic model and possible countermeasures. In: Proceedings of the sixth international symposium on power semiconductor devices and IC's, Davos, Switzerland; 1994. p. 339-40, and Matsuda H et al. Analysis of GTO failure mode during d.c. blocking. In: Proceedings of the sixth international symposium on power semiconductor devices and IC's, Davos, Switzerland; 1994. p. 221-5], an exact solution of the failure rate integral is derived and presented in a form which lends itself to be combined with the results available from commercial semiconductor simulation tools. Hence, failure rate integrals can be obtained with relative ease for realistic two- and even three-dimensional semiconductor geometries. Two case studies relating to IGBT cell design and planar junction termination layout demonstrate the purpose of the method.
NASA Astrophysics Data System (ADS)
Zacharek, M.; Delis, P.; Kedzierski, M.; Fryskowska, A.
2017-05-01
These studies have been conductedusing non-metric digital camera and dense image matching algorithms, as non-contact methods of creating monuments documentation.In order toprocess the imagery, few open-source software and algorithms of generating adense point cloud from images have been executed. In the research, the OSM Bundler, VisualSFM software, and web application ARC3D were used. Images obtained for each of the investigated objects were processed using those applications, and then dense point clouds and textured 3D models were created. As a result of post-processing, obtained models were filtered and scaled.The research showedthat even using the open-source software it is possible toobtain accurate 3D models of structures (with an accuracy of a few centimeters), but for the purpose of documentation and conservation of cultural and historical heritage, such accuracy can be insufficient.
Floridia, Claudio; Carvalho, M T; Lüthi, S R; Gomes, A S L
2004-09-01
The distributed gain of single- and dual-wavelength-pumped thulium-doped fiber amplifiers is modeled. The excellent agreement between the model and coherent optical frequency domain reflectometry measurements enables us to estimate intrinsic loss, branching ratios of fluorescence originating from the 3H4 level, and cross sections of upconversion pumping at 1050 and 1410 nm for the Tm3+ ions in the fiber. With the branching ratios obtained it is possible to describe induced signal absorption when pumping at 800 nm.
Accurate domain identification with structure-anchored hidden Markov models, saHMMs.
Tångrot, Jeanette E; Kågström, Bo; Sauer, Uwe H
2009-08-01
The ever increasing speed of DNA sequencing widens the discrepancy between the number of known gene products, and the knowledge of their function and structure. Proper annotation of protein sequences is therefore crucial if the missing information is to be deduced from sequence-based similarity comparisons. These comparisons become exceedingly difficult as the pairwise identities drop to very low values. To improve the accuracy of domain identification, we exploit the fact that the three-dimensional structures of domains are much more conserved than their sequences. Based on structure-anchored multiple sequence alignments of low identity homologues we constructed 850 structure-anchored hidden Markov models (saHMMs), each representing one domain family. Since the saHMMs are highly family specific, they can be used to assign a domain to its correct family and clearly distinguish it from domains belonging to other families, even within the same superfamily. This task is not trivial and becomes particularly difficult if the unknown domain is distantly related to the rest of the domain sequences within the family. In a search with full length protein sequences, harbouring at least one domain as defined by the structural classification of proteins database (SCOP), version 1.71, versus the saHMM database based on SCOP version 1.69, we achieve an accuracy of 99.0%. All of the few hits outside the family fall within the correct superfamily. Compared to Pfam_ls HMMs, the saHMMs obtain about 11% higher coverage. A comparison with BLAST and PSI-BLAST demonstrates that the saHMMs have consistently fewer errors per query at a given coverage. Within our recommended E-value range, the same is true for a comparison with SUPERFAMILY. Furthermore, we are able to annotate 232 proteins with 530 nonoverlapping domains belonging to 102 different domain families among human proteins labelled "unknown" in the NCBI protein database. Our results demonstrate that the saHMM database represents
Narla, A.; Sliwa, K. M.; Hatridge, M.; Shankar, S.; Frunzio, L.; Schoelkopf, R. J.; Devoret, M. H.
2014-06-09
Josephson junction parametric amplifiers are playing a crucial role in the readout chain in superconducting quantum information experiments. However, their integration with current 3D cavity implementations poses the problem of transitioning between waveguide, coax cables, and planar circuits. Moreover, Josephson amplifiers require auxiliary microwave components, like directional couplers and/or hybrids, that are sources of spurious losses and impedance mismatches that limit measurement efficiency and amplifier tunability. We have developed a wireless architecture for these parametric amplifiers that eliminates superfluous microwave components and interconnects. This greatly simplifies their assembly and integration into experiments. We present an experimental realization of such a device operating in the 9–11 GHz band with about 100 MHz of amplitude gain-bandwidth product, on par with devices mounted in conventional sample holders. The simpler impedance environment presented to the amplifier also results in increased amplifier tunability.
NASA Astrophysics Data System (ADS)
Narla, A.; Sliwa, K. M.; Hatridge, M.; Shankar, S.; Frunzio, L.; Schoelkopf, R. J.; Devoret, M. H.
2014-06-01
Josephson junction parametric amplifiers are playing a crucial role in the readout chain in superconducting quantum information experiments. However, their integration with current 3D cavity implementations poses the problem of transitioning between waveguide, coax cables, and planar circuits. Moreover, Josephson amplifiers require auxiliary microwave components, like directional couplers and/or hybrids, that are sources of spurious losses and impedance mismatches that limit measurement efficiency and amplifier tunability. We have developed a wireless architecture for these parametric amplifiers that eliminates superfluous microwave components and interconnects. This greatly simplifies their assembly and integration into experiments. We present an experimental realization of such a device operating in the 9-11 GHz band with about 100 MHz of amplitude gain-bandwidth product, on par with devices mounted in conventional sample holders. The simpler impedance environment presented to the amplifier also results in increased amplifier tunability.
Chen, Yi-der; Wang, Shaokun; Sherman, Arthur
2008-01-01
A kinetic model for insulin secretion in pancreatic β-cells is adapted from a model for fast exocytosis in chromaffin cells. The fusion of primed granules with the plasma membrane is assumed to occur only in the “microdomain” near voltage-sensitive L-type Ca2+-channels, where [Ca2+] can reach micromolar levels. In contrast, resupply and priming of granules are assumed to depend on the cytosolic [Ca2+]. Adding a two-compartment model to handle the temporal distribution of Ca2+ between the microdomain and the cytosol, we obtain a unified model that can generate both the fast granule fusion and the slow insulin secretion found experimentally in response to a step of membrane potential. The model can simulate the potentiation induced in islets by preincubation with glucose and the reduction in second-phase insulin secretion induced by blocking R-type Ca2+-channels (CaV2.3). The model indicates that increased second-phase insulin secretion induced by the amplifying signal is controlled by the “resupply” step of the exocytosis cascade. In contrast, enhancement of priming is a good candidate for amplification of first-phase secretion by glucose, cyclic adenosine 3′:5′-cyclic monophosphate, and protein kinase C. Finally, insulin secretion is enhanced when the amplifying signal oscillates in phase with the triggering Ca2+-signal. PMID:18515381
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.
Panagiotopoulou, O.; Wilshin, S. D.; Rayfield, E. J.; Shefelbine, S. J.; Hutchinson, J. R.
2012-01-01
Finite element modelling is well entrenched in comparative vertebrate biomechanics as a tool to assess the mechanical design of skeletal structures and to better comprehend the complex interaction of their form–function relationships. But what makes a reliable subject-specific finite element model? To approach this question, we here present a set of convergence and sensitivity analyses and a validation study as an example, for finite element analysis (FEA) in general, of ways to ensure a reliable model. We detail how choices of element size, type and material properties in FEA influence the results of simulations. We also present an empirical model for estimating heterogeneous material properties throughout an elephant femur (but of broad applicability to FEA). We then use an ex vivo experimental validation test of a cadaveric femur to check our FEA results and find that the heterogeneous model matches the experimental results extremely well, and far better than the homogeneous model. We emphasize how considering heterogeneous material properties in FEA may be critical, so this should become standard practice in comparative FEA studies along with convergence analyses, consideration of element size, type and experimental validation. These steps may be required to obtain accurate models and derive reliable conclusions from them. PMID:21752810
NASA Astrophysics Data System (ADS)
Malik, Arif Sultan
This work presents improved technology for attaining high-quality rolled metal strip. The new technology is based on an innovative method to model both the static and dynamic characteristics of rolling mill deflection, and it applies equally to both cluster-type and non cluster-type rolling mill configurations. By effectively combining numerical Finite Element Analysis (FEA) with analytical solid mechanics, the devised approach delivers a rapid, accurate, flexible, high-fidelity model useful for optimizing many important rolling parameters. The associated static deflection model enables computation of the thickness profile and corresponding flatness of the rolled strip. Accurate methods of predicting the strip thickness profile and strip flatness are important in rolling mill design, rolling schedule set-up, control of mill flatness actuators, and optimization of ground roll profiles. The corresponding dynamic deflection model enables solution of the standard eigenvalue problem to determine natural frequencies and modes of vibration. The presented method for solving the roll-stack deflection problem offers several important advantages over traditional methods. In particular, it includes continuity of elastic foundations, non-iterative solution when using pre-determined elastic foundation moduli, continuous third-order displacement fields, simple stress-field determination, the ability to calculate dynamic characteristics, and a comparatively faster solution time. Consistent with the most advanced existing methods, the presented method accommodates loading conditions that represent roll crowning, roll bending, roll shifting, and roll crossing mechanisms. Validation of the static model is provided by comparing results and solution time with large-scale, commercial finite element simulations. In addition to examples with the common 4-high vertical stand rolling mill, application of the presented method to the most complex of rolling mill configurations is demonstrated
Compact laser amplifier system
Carr, R.B.
1974-02-26
A compact laser amplifier system is described in which a plurality of face-pumped annular disks, aligned along a common axis, independently radially amplify a stimulating light pulse. Partially reflective or lasing means, coaxially positioned at the center of each annualar disk, radially deflects a stimulating light directed down the common axis uniformly into each disk for amplification, such that the light is amplified by the disks in a parallel manner. Circumferential reflecting means coaxially disposed around each disk directs amplified light emission, either toward a common point or in a common direction. (Official Gazette)
NASA Technical Reports Server (NTRS)
Yang, Qiguang; Liu, Xu; Wu, Wan; Kizer, Susan; Baize, Rosemary R.
2016-01-01
A hybrid stream PCRTM-SOLAR model has been proposed for fast and accurate radiative transfer simulation. It calculates the reflected solar (RS) radiances with a fast coarse way and then, with the help of a pre-saved matrix, transforms the results to obtain the desired high accurate RS spectrum. The methodology has been demonstrated with the hybrid stream discrete ordinate (HSDO) radiative transfer (RT) model. The HSDO method calculates the monochromatic radiances using a 4-stream discrete ordinate method, where only a small number of monochromatic radiances are simulated with both 4-stream and a larger N-stream (N = 16) discrete ordinate RT algorithm. The accuracy of the obtained channel radiance is comparable to the result from N-stream moderate resolution atmospheric transmission version 5 (MODTRAN5). The root-mean-square errors are usually less than 5x10(exp -4) mW/sq cm/sr/cm. The computational speed is three to four-orders of magnitude faster than the medium speed correlated-k option MODTRAN5. This method is very efficient to simulate thousands of RS spectra under multi-layer clouds/aerosols and solar radiation conditions for climate change study and numerical weather prediction applications.
NASA Technical Reports Server (NTRS)
Yang, Qiguang; Liu, Xu; Wu, Wan; Kizer, Susan; Baize, Rosemary R.
2016-01-01
A hybrid stream PCRTM-SOLAR model has been proposed for fast and accurate radiative transfer simulation. It calculates the reflected solar (RS) radiances with a fast coarse way and then, with the help of a pre-saved matrix, transforms the results to obtain the desired high accurate RS spectrum. The methodology has been demonstrated with the hybrid stream discrete ordinate (HSDO) radiative transfer (RT) model. The HSDO method calculates the monochromatic radiances using a 4-stream discrete ordinate method, where only a small number of monochromatic radiances are simulated with both 4-stream and a larger N-stream (N = 16) discrete ordinate RT algorithm. The accuracy of the obtained channel radiance is comparable to the result from N-stream moderate resolution atmospheric transmission version 5 (MODTRAN5). The root-mean-square errors are usually less than 5x10(exp -4) mW/sq cm/sr/cm. The computational speed is three to four-orders of magnitude faster than the medium speed correlated-k option MODTRAN5. This method is very efficient to simulate thousands of RS spectra under multi-layer clouds/aerosols and solar radiation conditions for climate change study and numerical weather prediction applications.
Gray, Alan; Harlen, Oliver G.; Harris, Sarah A.; Khalid, Syma; Leung, Yuk Ming; Lonsdale, Richard; Mulholland, Adrian J.; Pearson, Arwen R.; Read, Daniel J.; Richardson, Robin A.
2015-01-01
Despite huge advances in the computational techniques available for simulating biomolecules at the quantum-mechanical, atomistic and coarse-grained levels, there is still a widespread perception amongst the experimental community that these calculations are highly specialist and are not generally applicable by researchers outside the theoretical community. In this article, the successes and limitations of biomolecular simulation and the further developments that are likely in the near future are discussed. A brief overview is also provided of the experimental biophysical methods that are commonly used to probe biomolecular structure and dynamics, and the accuracy of the information that can be obtained from each is compared with that from modelling. It is concluded that progress towards an accurate spatial and temporal model of biomacromolecules requires a combination of all of these biophysical techniques, both experimental and computational. PMID:25615870
Lecca, Paola; Sorio, Claudio
2016-12-05
Chronic myeloid leukemia (CML) is a malignant clonal disorder whose hallmark is a reciprocal translocation between chromosomes 9 and 22 occurring in 95% of affected patients. This translocation causes the expression of a deregulated BCR/ABL fusion oncogene and, interestingly, is detectable in healthy individuals. Based on this information we assumed that the sole presence of the BCR/ABL transcript represents a necessary but not sufficient event for the clonal expansion of CML precursors. We developed a mathematical model introducing a probability that any normal cell undergoes a first aberration, and a probability that a cell that experienced a first mutation undergoes a second mutation as well. Two variants are proposed and analyzed: in the first the probability of the first mutation is supposed to be age independent and in the second, it depends on the hemopoietic cell turnover and mass. The model parameters have been estimated by regression from the observed CML incidence curves. Our models offer a significantly improved version of existing one-step and two-steps models, as they integrate key clinical and biological data reported in the literature and accurately fit the observed incidence. Our models also estimate the increased radiation-associated mutation rate at a younger age in atomic bomb survivors. Although this work focuses on CML, the modelling approach can be applied to all types of leukemia and lymphoma.
Salter, D C; McArthur, H C; Crosse, J E; Dickens, A D
1993-10-01
Summary Measurements of skin mechanics are required to understand better cracking and flaking of the epidermis and loss of 'elasticity'with age in the dermis. Improvements in torsional testing are described here. The resulting data was fitted to algebraic models, the parameters of which can serve both as a concise description of the responses and as a means of relating them to skin structure and physiology. This investigation looks into the suitability of seven such algebraic models. Five of the models examined here appear to be new. Using the commercially available Dia-Stron DTM Torque Meter with our own software, model parameters were studied as indicators of the effects of age and sex in 41 people, and of skin moisturizing treatments in a further 10 people. The two models in the literature were both found to be substantially less accurate and sensitive representations of experimental data than one of the new models proposed here based on the Weibull distribution. This 'WB model'was consistently the one best able to distinguish differences and detect changes which were statistically significant. The WB model appears to be the most powerful and efficient available. Use of this model makes it possible to demonstrate in vivo a statistically significant mechanical difference between male and pre-menopausal female skin using only one parameter (p= 0.0163, with 18 males and 19 females) and to demonstrate a statistically significant mechanical difference between successive decades of age in female skin using only one parameter (p= 0.0124, n= 24). The two parameters of the model most sensitive to skin structure, function and treatment have been combined to form the axes of a 'Skin condition chart'. Any person can be located on this chart at a point indicating their overall skin condition in mechanical terms and any changes in that condition can be clearly demonstrated by movement across the plot.
NASA Astrophysics Data System (ADS)
Pau, George Shu Heng; Shen, Chaopeng; Riley, William J.; Liu, Yaning
2016-02-01
The topography, and the biotic and abiotic parameters are typically upscaled to make watershed-scale hydrologic-biogeochemical models computationally tractable. However, upscaling procedure can produce biases when nonlinear interactions between different processes are not fully captured at coarse resolutions. Here we applied the Proper Orthogonal Decomposition Mapping Method (PODMM) to downscale the field solutions from a coarse (7 km) resolution grid to a fine (220 m) resolution grid. PODMM trains a reduced-order model (ROM) with coarse-resolution and fine-resolution solutions, here obtained using PAWS+CLM, a quasi-3-D watershed processes model that has been validated for many temperate watersheds. Subsequent fine-resolution solutions were approximated based only on coarse-resolution solutions and the ROM. The approximation errors were efficiently quantified using an error estimator. By jointly estimating correlated variables and temporally varying the ROM parameters, we further reduced the approximation errors by up to 20%. We also improved the method's robustness by constructing multiple ROMs using different set of variables, and selecting the best approximation based on the error estimator. The ROMs produced accurate downscaling of soil moisture, latent heat flux, and net primary production with O(1000) reduction in computational cost. The subgrid distributions were also nearly indistinguishable from the ones obtained using the fine-resolution model. Compared to coarse-resolution solutions, biases in upscaled ROM solutions were reduced by up to 80%. This method has the potential to help address the long-standing spatial scaling problem in hydrology and enable long-time integration, parameter estimation, and stochastic uncertainty analysis while accurately representing the heterogeneities.
Pineda, M; Stamatakis, M
2017-07-14
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.
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.
Sethurajan, Athinthra Krishnaswamy; Krachkovskiy, Sergey A; Halalay, Ion C; Goward, Gillian R; Protas, Bartosz
2015-09-17
We used NMR imaging (MRI) combined with data analysis based on inverse modeling of the mass transport problem to determine ionic diffusion coefficients and transference numbers in electrolyte solutions of interest for Li-ion batteries. Sensitivity analyses have shown that accurate estimates of these parameters (as a function of concentration) are critical to the reliability of the predictions provided by models of porous electrodes. The inverse modeling (IM) solution was generated with an extension of the Planck-Nernst model for the transport of ionic species in electrolyte solutions. Concentration-dependent diffusion coefficients and transference numbers were derived using concentration profiles obtained from in situ (19)F MRI measurements. Material properties were reconstructed under minimal assumptions using methods of variational optimization to minimize the least-squares deviation between experimental and simulated concentration values with uncertainty of the reconstructions quantified using a Monte Carlo analysis. The diffusion coefficients obtained by pulsed field gradient NMR (PFG-NMR) fall within the 95% confidence bounds for the diffusion coefficient values obtained by the MRI+IM method. The MRI+IM method also yields the concentration dependence of the Li(+) transference number in agreement with trends obtained by electrochemical methods for similar systems and with predictions of theoretical models for concentrated electrolyte solutions, in marked contrast to the salt concentration dependence of transport numbers determined from PFG-NMR data.
Chen, Y; Mo, X; Chen, M; Olivera, G; Parnell, D; Key, S; Lu, W; Reeher, M; Galmarini, D
2014-06-01
Purpose: An accurate leaf fluence model can be used in applications such as patient specific delivery QA and in-vivo dosimetry for TomoTherapy systems. It is known that the total fluence is not a linear combination of individual leaf fluence due to leakage-transmission, tongue-and-groove, and source occlusion effect. Here we propose a method to model the nonlinear effects as linear terms thus making the MLC-detector system a linear system. Methods: A leaf pattern basis (LPB) consisting of no-leaf-open, single-leaf-open, double-leaf-open and triple-leaf-open patterns are chosen to represent linear and major nonlinear effects of leaf fluence as a linear system. An arbitrary leaf pattern can be expressed as (or decomposed to) a linear combination of the LPB either pulse by pulse or weighted by dwelling time. The exit detector responses to the LPB are obtained by processing returned detector signals resulting from the predefined leaf patterns for each jaw setting. Through forward transformation, detector signal can be predicted given a delivery plan. An equivalent leaf open time (LOT) sinogram containing output variation information can also be inversely calculated from the measured detector signals. Twelve patient plans were delivered in air. The equivalent LOT sinograms were compared with their planned sinograms. Results: The whole calibration process was done in 20 minutes. For two randomly generated leaf patterns, 98.5% of the active channels showed differences within 0.5% of the local maximum between the predicted and measured signals. Averaged over the twelve plans, 90% of LOT errors were within +/−10 ms. The LOT systematic error increases and shows an oscillating pattern when LOT is shorter than 50 ms. Conclusion: The LPB method models the MLC-detector response accurately, which improves patient specific delivery QA and in-vivo dosimetry for TomoTherapy systems. It is sensitive enough to detect systematic LOT errors as small as 10 ms.
NASA Astrophysics Data System (ADS)
Yu, Xiaolin; Zhang, Shaoqing; Lin, Xiaopei; Li, Mingkui
2017-03-01
The uncertainties in values of coupled model parameters are an important source of model bias that causes model climate drift. The values can be calibrated by a parameter estimation procedure that projects observational information onto model parameters. The signal-to-noise ratio of error covariance between the model state and the parameter being estimated directly determines whether the parameter estimation succeeds or not. With a conceptual climate model that couples the stochastic atmosphere and slow-varying ocean, this study examines the sensitivity of state-parameter covariance on the accuracy of estimated model states in different model components of a coupled system. Due to the interaction of multiple timescales, the fast-varying atmosphere
with a chaotic nature is the major source of the inaccuracy of estimated state-parameter covariance. Thus, enhancing the estimation accuracy of atmospheric states is very important for the success of coupled model parameter estimation, especially for the parameters in the air-sea interaction processes. The impact of chaotic-to-periodic ratio in state variability on parameter estimation is also discussed. This simple model study provides a guideline when real observations are used to optimize model parameters in a coupled general circulation model for improving climate analysis and predictions.
Moses, Edward I.
1992-01-01
An improved dye laser amplifier is disclosed. The efficiency of the dye lr amplifier is increased significantly by increasing the power of a dye beam as it passes from an input window to an output window within the dye chamber, while maintaining the intensity of the dye beam constant.
Moses, E.I.
1992-12-01
An improved dye laser amplifier is disclosed. The efficiency of the dye laser amplifier is increased significantly by increasing the power of a dye beam as it passes from an input window to an output window within the dye chamber, while maintaining the intensity of the dye beam constant. 3 figs.
Dandl, R.A.
1961-09-19
A transistor amplifier is designed for vyery small currents below 10/sup -8/ amperes. The filrst and second amplifier stages use unusual selected transistors in which the current amplification increases markedly for values of base current below 10/sup -6/ amperes.
NASA Astrophysics Data System (ADS)
Li, Gang; Li, Yuguo; Han, Bo
2017-05-01
We present an accurate interpolating method for calculating electric and magnetic fields at the seafloor with a resistivity contrast. This method is applied to the three-dimensional (3D) frequency-domain marine controlled-source electromagnetic (CSEM) modeling with the towed transmitters and receivers located at the seafloor. We simulate the 3D marine CSEM responses by the staggered finite-difference method with a direct solver. The secondary-field approach is used for avoiding the source singularities and the primary fields excited by the electric dipole source could be calculated quasi-analytically for the one-dimensional layered background. Therefore, in this study, we focus on interpolating of electric and magnetic fields to the receiver locations at the seafloor interface between the conductive seawater and resistive seafloor formation. Considering the discontinuity of the normal electric fields, we use the normal current electric density for interpolation. The secondary electric and magnetic fields are also used for interpolation instead of the total fields for high numerical accuracy. The proposed interpolation only utilizes the nodes below/above the seafloor interface and is approved to be much more accurate than other tested interpolating methods, i.e., the conventional linear interpolation and the rigorous interpolation.
Bhaskara, Ramachandra M; Padhi, Amrita; Srinivasan, Narayanaswamy
2014-07-01
With the preponderance of multidomain proteins in eukaryotic genomes, it is essential to recognize the constituent domains and their functions. Often function involves communications across the domain interfaces, and the knowledge of the interacting sites is essential to our understanding of the structure-function relationship. Using evolutionary information extracted from homologous domains in at least two diverse domain architectures (single and multidomain), we predict the interface residues corresponding to domains from the two-domain proteins. We also use information from the three-dimensional structures of individual domains of two-domain proteins to train naïve Bayes classifier model to predict the interfacial residues. Our predictions are highly accurate (∼85%) and specific (∼95%) to the domain-domain interfaces. This method is specific to multidomain proteins which contain domains in at least more than one protein architectural context. Using predicted residues to constrain domain-domain interaction, rigid-body docking was able to provide us with accurate full-length protein structures with correct orientation of domains. We believe that these results can be of considerable interest toward rational protein and interaction design, apart from providing us with valuable information on the nature of interactions. © 2013 Wiley Periodicals, Inc.
DISTRIBUTED AMPLIFIER INCORPORATING FEEDBACK
Bell, P.R. Jr.
1958-10-21
An improved distributed amplifier system employing feedback for stabilization is presented. In accordance with the disclosed invention, a signal to be amplified is applled to one end of a suitable terminated grid transmission line. At intervals along the transmission line, the signal is fed to stable, resistance-capacitance coupled amplifiers incorporating feedback loops therein. The output current from each amplifier is passed through an additional tube to minimize the electrostatic capacitance between the tube elements of the last stage of the amplifier, and fed to appropriate points on an output transmission line, similar to the grid line, but terminated at the opposite (input) end. The output taken from the unterminated end of the plate transmission line is proportional to the input voltage impressed upon the grid line.
Versatile composite amplifier configuration
NASA Astrophysics Data System (ADS)
Gift, Stephan J. G.; Maundy, Brent
2015-06-01
This paper describes a versatile composite amplifier in which a current feedback amplifier (CFA) drives an operational amplifier (OPA). In the conventional OPA-CFA composite amplifier, an OPA drives a CFA resulting in a composite structure that combines the DC input stability of the OPA and the high speed capability of the CFA. The proposed composite configuration combines different features of the CFA and OPA, specifically the constant bandwidth property of the CFA and the high power and high current output capacity of the OPA. The new circuit is easily implemented in the standard inverting and non-inverting configurations using commercially available devices, and the accuracy and constant bandwidth features were experimentally verified. Local feedback around the associated CFA ensures that the proposed composite amplifier possesses a higher level of bandwidth constancy than a single CFA.
Murakami, Masaaki; Hirano, Toshio
2011-01-01
short (Ogura et al., 2008; Hirano, 2010; Murakami et al., 2011). Thus, certain class II MHC-associated, tissue-specific autoimmune diseases, including some RA subtypes, may be induced by local events that cause an antigen-independent accumulation of effector CD4+ T cells followed by the induction of the IL-6 amplifier in the affected tissue. In other words, in certain cases, the target tissue itself may determine the specificity of the autoimmune disease via activation of the IL-6 amplifier. To explain this hypothesis, we have proposed a four-step model for MHC class II-associated autoimmune diseases (Murakami et al., 2011): (1) T cell activation regardless of antigen specificity; (2) local events inducing a tissue-specific accumulation of activated T cells; (3) transient activation of the IL-6 amplifier; and (4) enhanced sensitivity to cytokines in the target tissue. The interaction of these events results in chronic activation of the IL-6 amplifier and subsequent manifestation of autoimmune diseases. Thus, the IL-6 amplifier, which is chronically activated by these four events, is a critical regulator of chronic inflammations in tissue-specific MHC class II-associated autoimmune diseases.
Martin, Eric; Mukherjee, Prasenjit
2012-01-23
Reliable in silico prediction methods promise many advantages over experimental high-throughput screening (HTS): vastly lower time and cost, affinity magnitude estimates, no requirement for a physical sample, and a knowledge-driven exploration of chemical space. For the specific case of kinases, given several hundred experimental IC(50) training measurements, the empirically parametrized profile-quantitative structure-activity relationship (profile-QSAR) and surrogate AutoShim methods developed at Novartis can predict IC(50) with a reliability approaching experimental HTS. However, in the absence of training data, prediction is much harder. The most common a priori prediction method is docking, which suffers from many limitations: It requires a protein structure, is slow, and cannot predict affinity. (1) Highly accurate profile-QSAR (2) models have now been built for roughly 100 kinases covering most of the kinome. Analyzing correlations among neighboring kinases shows that near neighbors share a high degree of SAR similarity. The novel chemogenomic kinase-kernel method reported here predicts activity for new kinases as a weighted average of predicted activities from profile-QSAR models for nearby neighbor kinases. Three different factors for weighting the neighbors were evaluated: binding site sequence identity to the kinase neighbors, similarity of the training set for each neighbor model to the compound being predicted, and accuracy of each neighbor model. Binding site sequence identity was by far most important, followed by chemical similarity. Model quality had almost no relevance. The median R(2) = 0.55 for kinase-kernel interpolations on 25% of the data of each set held out from method optimization for 51 kinase assays, approached the accuracy of median R(2) = 0.61 for the trained profile-QSAR predictions on the same held out 25% data of each set, far faster and far more accurate than docking. Validation on the full data sets from 18 additional kinase assays
NASA Astrophysics Data System (ADS)
Bianchi, Davide; Chiesa, Matteo; Guzzo, Luigi
2016-10-01
As a step towards a more accurate modelling of redshift-space distortions (RSD) in galaxy surveys, we develop a general description of the probability distribution function of galaxy pairwise velocities within the framework of the so-called streaming model. For a given galaxy separation , such function can be described as a superposition of virtually infinite local distributions. We characterize these in terms of their moments and then consider the specific case in which they are Gaussian functions, each with its own mean μ and variance σ2. Based on physical considerations, we make the further crucial assumption that these two parameters are in turn distributed according to a bivariate Gaussian, with its own mean and covariance matrix. Tests using numerical simulations explicitly show that with this compact description one can correctly model redshift-space distorsions on all scales, fully capturing the overall linear and nonlinear dynamics of the galaxy flow at different separations. In particular, we naturally obtain Gaussian/exponential, skewed/unskewed distribution functions, depending on separation as observed in simulations and data. Also, the recently proposed single-Gaussian description of redshift-space distortions is included in this model as a limiting case, when the bivariate Gaussian is collapsed to a two-dimensional Dirac delta function. More work is needed, but these results indicate a very promising path to make definitive progress in our program to improve RSD estimators.
NASA Astrophysics Data System (ADS)
Katata, Genki; Kajino, Mizuo; Hiraki, Takatoshi; Aikawa, Masahide; Kobayashi, Tomiki; Nagai, Haruyasu
2011-10-01
To apply a meteorological model to investigate fog occurrence, acidification and deposition in mountain forests, the meteorological model WRF was modified to calculate fog deposition accurately by the simple linear function of fog deposition onto vegetation derived from numerical experiments using the detailed multilayer atmosphere-vegetation-soil model (SOLVEG). The modified version of WRF that includes fog deposition (fog-WRF) was tested in a mountain forest on Mt. Rokko in Japan. fog-WRF provided a distinctly better prediction of liquid water content of fog (LWC) than the original version of WRF. It also successfully simulated throughfall observations due to fog deposition inside the forest during the summer season that excluded the effect of forest edges. Using the linear relationship between fog deposition and altitude given by the fog-WRF calculations and the data from throughfall observations at a given altitude, the vertical distribution of fog deposition can be roughly estimated in mountain forests. A meteorological model that includes fog deposition will be useful in mapping fog deposition in mountain cloud forests.
Direct solar-pumped iodine laser amplifier
NASA Technical Reports Server (NTRS)
Han, K. S.
1986-01-01
During this period the parametric studies of the iodine laser oscillator pumped by a Vortek simulator were carried out before amplifier studies. The amplifier studies are postponed to the extended period after completing the parametric studies. In addition, the kinetic modeling of a solar-pumped iodine laser amplifier, and the experimental work for a solar pumped dye laser amplifier are in progress. This report contains three parts: (1) a 10 W CW iodine laser pumped by a Vortek solar simulator; (2) kinetic modeling to predict the time to lasing threshold, lasing time, and energy output of solar-pumped iodine laser; and (3) the study of the dye laser amplifier pumped by a Tamarack solar simulator.
NASA Astrophysics Data System (ADS)
Hackel, Stefan; Montenbruck, Oliver; Steigenberger, -Peter; Eineder, Michael; Gisinger, Christoph
Remote sensing satellites support a broad range of scientific and commercial applications. The two radar imaging satellites TerraSAR-X and TanDEM-X provide spaceborne Synthetic Aperture Radar (SAR) and interferometric SAR data with a very high accuracy. The increasing demand for precise radar products relies on sophisticated validation methods, which require precise and accurate orbit products. Basically, the precise reconstruction of the satellite’s trajectory is based on the Global Positioning System (GPS) measurements from a geodetic-grade dual-frequency receiver onboard the spacecraft. The Reduced Dynamic Orbit Determination (RDOD) approach utilizes models for the gravitational and non-gravitational forces. Following a proper analysis of the orbit quality, systematics in the orbit products have been identified, which reflect deficits in the non-gravitational force models. A detailed satellite macro model is introduced to describe the geometry and the optical surface properties of the satellite. Two major non-gravitational forces are the direct and the indirect Solar Radiation Pressure (SRP). Due to the dusk-dawn orbit configuration of TerraSAR-X, the satellite is almost constantly illuminated by the Sun. Therefore, the direct SRP has an effect on the lateral stability of the determined orbit. The indirect effect of the solar radiation principally contributes to the Earth Radiation Pressure (ERP). The resulting force depends on the sunlight, which is reflected by the illuminated Earth surface in the visible, and the emission of the Earth body in the infrared spectra. Both components of ERP require Earth models to describe the optical properties of the Earth surface. Therefore, the influence of different Earth models on the orbit quality is assessed within the presentation. The presentation highlights the influence of non-gravitational force and satellite macro models on the orbit quality of TerraSAR-X.
Auto-Zero Differential Amplifier
NASA Technical Reports Server (NTRS)
Quilligan, Gerard T. (Inventor); Aslam, Shahid (Inventor)
2017-01-01
An autozero amplifier may include a window comparator network to monitor an output offset of a differential amplifier. The autozero amplifier may also include an integrator to receive a signal from a latched window comparator network, and send an adjustment signal back to the differential amplifier to reduce an offset of the differential amplifier.
Cisonni, Julien; Lucey, Anthony D; King, Andrew J C; Islam, Syed Mohammed Shamsul; Lewis, Richard; Goonewardene, Mithran S
2015-11-01
Repetitive brief episodes of soft-tissue collapse within the upper airway during sleep characterize obstructive sleep apnea (OSA), an extremely common and disabling disorder. Failure to maintain the patency of the upper airway is caused by the combination of sleep-related loss of compensatory dilator muscle activity and aerodynamic forces promoting closure. The prediction of soft-tissue movement in patient-specific airway 3D mechanical models is emerging as a useful contribution to clinical understanding and decision making. Such modeling requires reliable estimations of the pharyngeal wall pressure forces. While nasal obstruction has been recognized as a risk factor for OSA, the need to include the nasal cavity in upper-airway models for OSA studies requires consideration, as it is most often omitted because of its complex shape. A quantitative analysis of the flow conditions generated by the nasal cavity and the sinuses during inspiration upstream of the pharynx is presented. Results show that adequate velocity boundary conditions and simple artificial extensions of the flow domain can reproduce the essential effects of the nasal cavity on the pharyngeal flow field. Therefore, the overall complexity and computational cost of accurate flow predictions can be reduced.
Balzar, D.; Ledbetter, H.
1995-12-31
In the {open_quotes}double-Voigt{close_quotes} approach, an exact Voigt function describes both size- and strain-broadened profiles. The lattice strain is defined in terms of physically credible mean-square strain averaged over a distance in the diffracting domains. Analysis of Fourier coefficients in a harmonic approximation for strain coefficients leads to the Warren-Averbach method for the separation of size and strain contributions to diffraction line broadening. The model is introduced in the Rietveld refinement program in the following way: Line widths are modeled with only four parameters in the isotropic case. Varied parameters are both surface- and volume-weighted domain sizes and root-mean-square strains averaged over two distances. Refined parameters determine the physically broadened Voigt line profile. Instrumental Voigt line profile parameters are added to obtain the observed (Voigt) line profile. To speed computation, the corresponding pseudo-Voigt function is calculated and used as a fitting function in refinement. This approach allows for both fast computer code and accurate modeling in terms of physically identifiable parameters.
Tuning Broadband Microwave Amplifiers
Alaniz, Gabriel
2003-09-05
The PEP-II/DA {Phi} NE/ALS longitudinal feedback systems are complex wide bandwidth systems requiring analog, digital and microwave circuits. The solid-state amplifier is one of the components in the microwave circuit that is required to suppress the coupled bunch instabilities that exist in the PEP-II accelerator. The suppression is achieved by using an antenna as a kicker structure that provides an electric field in order to increase or decrease the energy of particles passing through the structure. The amplifier is made up of sixteen 30 to 35W microstrip GaAs FET modules that are combined to obtain 500W over a bandwidth of 850MHz to 1850MHz. The amplifier malfunctioned causing a reduction in the functionality and power output of the individual GaAs FET modules. The amplifier must be repaired. After repair, the amplifier must be tuned to optimize the gain while maintaining proper power output. The amplifier is tuned using microstrip circuit techniques. A variety of microstrip methods are used to obtain the proper line impedance. The result is a working amplifier that operates efficiently.
An optically isolated amplifier
NASA Astrophysics Data System (ADS)
Smith, C. J.
1982-11-01
The design presented was used for biomedical signal detection and monitoring. The amplifier was successfully applied for EMG and ECG research studies. The patient is safely isolated from the processing equipment when using the amplifier. This opto-isolated amplifier was also applied industrially for monitoring mercury arc rectifier control signals. The device has proved itself in an industrial environment as an interface for a microprocessor. This unit can be used whenever large offset voltages are found, and can therefore be put to good use in many power electrical engineering applications.
NASA Astrophysics Data System (ADS)
Stukel, Michael R.; Landry, Michael R.; Ohman, Mark D.; Goericke, Ralf; Samo, Ty; Benitez-Nelson, Claudia R.
2012-03-01
Despite the increasing use of linear inverse modeling techniques to elucidate fluxes in undersampled marine ecosystems, the accuracy with which they estimate food web flows has not been resolved. New Markov Chain Monte Carlo (MCMC) solution methods have also called into question the biases of the commonly used L2 minimum norm (L 2MN) solution technique. Here, we test the abilities of MCMC and L 2MN methods to recover field-measured ecosystem rates that are sequentially excluded from the model input. For data, we use experimental measurements from process cruises of the California Current Ecosystem (CCE-LTER) Program that include rate estimates of phytoplankton and bacterial production, micro- and mesozooplankton grazing, and carbon export from eight study sites varying from rich coastal upwelling to offshore oligotrophic conditions. Both the MCMC and L 2MN methods predicted well-constrained rates of protozoan and mesozooplankton grazing with reasonable accuracy, but the MCMC method overestimated primary production. The MCMC method more accurately predicted the poorly constrained rate of vertical carbon export than the L 2MN method, which consistently overestimated export. Results involving DOC and bacterial production were equivocal. Overall, when primary production is provided as model input, the MCMC method gives a robust depiction of ecosystem processes. Uncertainty in inverse ecosystem models is large and arises primarily from solution under-determinacy. We thus suggest that experimental programs focusing on food web fluxes expand the range of experimental measurements to include the nature and fate of detrital pools, which play large roles in the model.
Qian, Chunqi; Yu, Xin; Chen, Der-Yow; Dodd, Stephen; Bouraoud, Nadia; Pothayee, Nikorn; Chen, Yun; Beeman, Scott; Bennett, Kevin; Murphy-Boesch, Joseph; Koretsky, Alan
2013-07-01
To assess the feasibility of imaging deep-lying internal organs at high spatial resolution by imaging kidney glomeruli in a rodent model with use of a newly developed, wireless amplified nuclear magnetic resonance (MR) detector. This study was approved by the Animal Care and Use Committee at the National Institutes of Health/National Institute of Neurologic Disorder and Stroke. As a preclinical demonstration of this new detection technology, five different millimeter-scale wireless amplified nuclear MR detectors configured as double frequency resonators were chronically implanted on the medial surface of the kidney in five Sprague-Dawley rats for MR imaging at 11.7 T. Among these rats, two were administered gadopentetate dimeglumine to visualize renal tubules on T1-weighted gradient-refocused echo (GRE) images, two were administered cationized ferritin to visualize glomeruli on T2*-weighted GRE images, and the remaining rat was administered both gadopentetate dimeglumine and cationized ferritin to visualize the interleaved pattern of renal tubules and glomeruli. The image intensity in each pixel was compared with the local tissue signal intensity average to identify regions of hyper- or hypointensity. T1-weighted images with 70-μm in-plane resolution and 200-μm section thickness were obtained within 3.2 minutes to image renal tubules, and T2*-weighted images of the same resolution were obtained within 5.8 minutes to image the glomeruli. Hyperintensity from gadopentetate dimeglumine enabled visualization of renal tubules, and hypointensity from cationic ferritin enabled visualization of the glomeruli. High-spatial-resolution images have been obtained to observe kidney microstructures in vivo with a wireless amplified nuclear MR detector.
Martin, Katherine J.; Patrick, Denis R.; Bissell, Mina J.; Fournier, Marcia V.
2008-10-20
One of the major tenets in breast cancer research is that early detection is vital for patient survival by increasing treatment options. To that end, we have previously used a novel unsupervised approach to identify a set of genes whose expression predicts prognosis of breast cancer patients. The predictive genes were selected in a well-defined three dimensional (3D) cell culture model of non-malignant human mammary epithelial cell morphogenesis as down-regulated during breast epithelial cell acinar formation and cell cycle arrest. Here we examine the ability of this gene signature (3D-signature) to predict prognosis in three independent breast cancer microarray datasets having 295, 286, and 118 samples, respectively. Our results show that the 3D-signature accurately predicts prognosis in three unrelated patient datasets. At 10 years, the probability of positive outcome was 52, 51, and 47 percent in the group with a poor-prognosis signature and 91, 75, and 71 percent in the group with a good-prognosis signature for the three datasets, respectively (Kaplan-Meier survival analysis, p<0.05). Hazard ratios for poor outcome were 5.5 (95% CI 3.0 to 12.2, p<0.0001), 2.4 (95% CI 1.6 to 3.6, p<0.0001) and 1.9 (95% CI 1.1 to 3.2, p = 0.016) and remained significant for the two larger datasets when corrected for estrogen receptor (ER) status. Hence the 3D-signature accurately predicts breast cancer outcome in both ER-positive and ER-negative tumors, though individual genes differed in their prognostic ability in the two subtypes. Genes that were prognostic in ER+ patients are AURKA, CEP55, RRM2, EPHA2, FGFBP1, and VRK1, while genes prognostic in ER patients include ACTB, FOXM1 and SERPINE2 (Kaplan-Meier p<0.05). Multivariable Cox regression analysis in the largest dataset showed that the 3D-signature was a strong independent factor in predicting breast cancer outcome. The 3D-signature accurately predicts breast cancer outcome across multiple datasets and holds prognostic
Yogurtcu, Osman N.; Johnson, Margaret E.
2015-01-01
The dynamics of association between diffusing and reacting molecular species are routinely quantified using simple rate-equation kinetics that assume both well-mixed concentrations of species and a single rate constant for parameterizing the binding rate. In two-dimensions (2D), however, even when systems are well-mixed, the assumption of a single characteristic rate constant for describing association is not generally accurate, due to the properties of diffusional searching in dimensions d ≤ 2. Establishing rigorous bounds for discriminating between 2D reactive systems that will be accurately described by rate equations with a single rate constant, and those that will not, is critical for both modeling and experimentally parameterizing binding reactions restricted to surfaces such as cellular membranes. We show here that in regimes of intrinsic reaction rate (ka) and diffusion (D) parameters ka/D > 0.05, a single rate constant cannot be fit to the dynamics of concentrations of associating species independently of the initial conditions. Instead, a more sophisticated multi-parametric description than rate-equations is necessary to robustly characterize bimolecular reactions from experiment. Our quantitative bounds derive from our new analysis of 2D rate-behavior predicted from Smoluchowski theory. Using a recently developed single particle reaction-diffusion algorithm we extend here to 2D, we are able to test and validate the predictions of Smoluchowski theory and several other theories of reversible reaction dynamics in 2D for the first time. Finally, our results also mean that simulations of reactive systems in 2D using rate equations must be undertaken with caution when reactions have ka/D > 0.05, regardless of the simulation volume. We introduce here a simple formula for an adaptive concentration dependent rate constant for these chemical kinetics simulations which improves on existing formulas to better capture non-equilibrium reaction dynamics from dilute
Yogurtcu, Osman N; Johnson, Margaret E
2015-08-28
The dynamics of association between diffusing and reacting molecular species are routinely quantified using simple rate-equation kinetics that assume both well-mixed concentrations of species and a single rate constant for parameterizing the binding rate. In two-dimensions (2D), however, even when systems are well-mixed, the assumption of a single characteristic rate constant for describing association is not generally accurate, due to the properties of diffusional searching in dimensions d ≤ 2. Establishing rigorous bounds for discriminating between 2D reactive systems that will be accurately described by rate equations with a single rate constant, and those that will not, is critical for both modeling and experimentally parameterizing binding reactions restricted to surfaces such as cellular membranes. We show here that in regimes of intrinsic reaction rate (ka) and diffusion (D) parameters ka/D > 0.05, a single rate constant cannot be fit to the dynamics of concentrations of associating species independently of the initial conditions. Instead, a more sophisticated multi-parametric description than rate-equations is necessary to robustly characterize bimolecular reactions from experiment. Our quantitative bounds derive from our new analysis of 2D rate-behavior predicted from Smoluchowski theory. Using a recently developed single particle reaction-diffusion algorithm we extend here to 2D, we are able to test and validate the predictions of Smoluchowski theory and several other theories of reversible reaction dynamics in 2D for the first time. Finally, our results also mean that simulations of reactive systems in 2D using rate equations must be undertaken with caution when reactions have ka/D > 0.05, regardless of the simulation volume. We introduce here a simple formula for an adaptive concentration dependent rate constant for these chemical kinetics simulations which improves on existing formulas to better capture non-equilibrium reaction dynamics from dilute
An accurate locally active memristor model for S-type negative differential resistance in NbO{sub x}
Gibson, Gary A.; Musunuru, Srinitya; Zhang, Jiaming; Lee, James; Hsieh, Cheng-Chih; Jackson, Warren; Jeon, Yoocharn; Henze, Dick; Li, Zhiyong; Stanley Williams, R.; Vandenberghe, Ken
2016-01-11
A number of important commercial applications would benefit from the introduction of easily manufactured devices that exhibit current-controlled, or “S-type,” negative differential resistance (NDR). A leading example is emerging non-volatile memory based on crossbar array architectures. Due to the inherently linear current vs. voltage characteristics of candidate non-volatile memristor memory elements, individual memory cells in these crossbar arrays can be addressed only if a highly non-linear circuit element, termed a “selector,” is incorporated in the cell. Selectors based on a layer of niobium oxide sandwiched between two electrodes have been investigated by a number of groups because the NDR they exhibit provides a promisingly large non-linearity. We have developed a highly accurate compact dynamical model for their electrical conduction that shows that the NDR in these devices results from a thermal feedback mechanism. A series of electrothermal measurements and numerical simulations corroborate this model. These results reveal that the leakage currents can be minimized by thermally isolating the selector or by incorporating materials with larger activation energies for electron motion.
NASA Astrophysics Data System (ADS)
Engwirda, Darren; Kelley, Maxwell; Marshall, John
2017-08-01
Discretisation of the horizontal pressure gradient force in layered ocean models is a challenging task, with non-trivial interactions between the thermodynamics of the fluid and the geometry of the layers often leading to numerical difficulties. We present two new finite-volume schemes for the pressure gradient operator designed to address these issues. In each case, the horizontal acceleration is computed as an integration of the contact pressure force that acts along the perimeter of an associated momentum control-volume. A pair of new schemes are developed by exploring different control-volume geometries. Non-linearities in the underlying equation-of-state definitions and thermodynamic profiles are treated using a high-order accurate numerical integration framework, designed to preserve hydrostatic balance in a non-linear manner. Numerical experiments show that the new methods achieve high levels of consistency, maintaining hydrostatic and thermobaric equilibrium in the presence of strongly-sloping layer geometries, non-linear equations-of-state and non-uniform vertical stratification profiles. These results suggest that the new pressure gradient formulations may be appropriate for general circulation models that employ hybrid vertical coordinates and/or terrain-following representations.
Gray, Alan; Harlen, Oliver G.; Harris, Sarah A.; Khalid, Syma; Leung, Yuk Ming; Lonsdale, Richard; Mulholland, Adrian J.; Pearson, Arwen R.; Read, Daniel J.; Richardson, Robin A.
2015-01-01
The current computational techniques available for biomolecular simulation are described, and the successes and limitations of each with reference to the experimental biophysical methods that they complement are presented. Despite huge advances in the computational techniques available for simulating biomolecules at the quantum-mechanical, atomistic and coarse-grained levels, there is still a widespread perception amongst the experimental community that these calculations are highly specialist and are not generally applicable by researchers outside the theoretical community. In this article, the successes and limitations of biomolecular simulation and the further developments that are likely in the near future are discussed. A brief overview is also provided of the experimental biophysical methods that are commonly used to probe biomolecular structure and dynamics, and the accuracy of the information that can be obtained from each is compared with that from modelling. It is concluded that progress towards an accurate spatial and temporal model of biomacromolecules requires a combination of all of these biophysical techniques, both experimental and computational.
NASA Astrophysics Data System (ADS)
Reppert, Mike; Naibo, Virginia; Jankowiak, Ryszard
2010-07-01
Accurate lineshape functions for modeling fluorescence line narrowing (FLN) difference spectra (ΔFLN spectra) in the low-fluence limit are derived and examined in terms of the physical interpretation of various contributions, including photoproduct absorption and emission. While in agreement with the earlier results of Jaaniso [Proc. Est. Acad. Sci., Phys., Math. 34, 277 (1985)] and Fünfschilling et al. [J. Lumin. 36, 85 (1986)], the derived formulas differ substantially from functions used recently [e.g., M. Rätsep et al., Chem. Phys. Lett. 479, 140 (2009)] to model ΔFLN spectra. In contrast to traditional FLN spectra, it is demonstrated that for most physically reasonable parameters, the ΔFLN spectrum reduces simply to the single-site fluorescence lineshape function. These results imply that direct measurement of a bulk-averaged single-site fluorescence lineshape function can be accomplished with no complicated extraction process or knowledge of any additional parameters such as site distribution function shape and width. We argue that previous analysis of ΔFLN spectra obtained for many photosynthetic complexes led to strong artificial lowering of apparent electron-phonon coupling strength, especially on the high-energy side of the pigment site distribution function.